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 3hx6_1_B DATA FIRST_RESID 645 DATA SEQUENCE PATVGKAQYL TYLAQPIEPS GNYSTFAEAQ KTRAPRVYVG ANDGMLHGFD DATA SEQUENCE TDGNETFAFI PSAVFEKXXX XXXXXXXXGA HQFYVDGSPV VADAFFGGAW DATA SEQUENCE HTVLIGSLRA GGKGLFALDV TDPANIKLLW EIGVDQEPDL GYSFPKPTVA DATA SEQUENCE RLHNGKWAVV TGNGYSSMND KAALLIIDME TGAITRKLEV TGRTGVPNGL DATA SEQUENCE SSPRLADNNS DGVADYAYAG DLQGNLWRFD LIAGKVNQDD PFSRANDGPA DATA SEQUENCE VASSFRVSFG GQPLYSAVDS AGAAQAITAA PSLVRHPTRK GYIVIFGTGK DATA SEQUENCE YFENADARAD TSRAQTLYGI WDQQTKGEAA GSTPRLTRGN LQQQTLDLQA DATA SEQUENCE DSTFASTART IRIASQNPVN WLNNDGSTKQ SGWYLDFMVN GTLKGEMLIE DATA SEQUENCE DMIAIGQVVL LQTITPNXXX XXXXASNWTY GLDPYTGGRT SFTVFDLARQ DATA SEQUENCE GVVDSKSDYS YNKQNVAVSG TEQKGLGGLT LSTNEQGNPE VcSSGEcLTV DATA SEQUENCE NPGP 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 645 P HA 0.000 nan 4.420 nan 0.000 0.216 645 P C 0.000 177.370 177.300 0.117 0.000 1.155 645 P CA 0.000 63.170 63.100 0.116 0.000 0.800 645 P CB 0.000 31.768 31.700 0.113 0.000 0.726 646 A N 0.945 123.854 122.820 0.148 0.000 3.215 646 A HA 0.541 4.862 4.320 0.000 0.000 0.269 646 A C 0.225 177.942 177.584 0.222 0.000 1.517 646 A CA 0.452 52.594 52.037 0.175 0.000 1.221 646 A CB -0.540 18.588 19.000 0.213 0.000 1.160 646 A HN 0.126 nan 8.150 nan 0.000 0.620 647 T N 0.337 114.988 114.554 0.162 0.000 2.771 647 T HA 0.484 4.834 4.350 0.000 0.000 0.281 647 T C -0.770 174.014 174.700 0.140 0.000 0.982 647 T CA -0.270 61.921 62.100 0.151 0.000 0.978 647 T CB 0.652 69.580 68.868 0.099 0.000 0.930 647 T HN 0.183 nan 8.240 nan 0.000 0.447 648 V N 6.143 126.161 119.914 0.174 0.000 2.275 648 V HA 0.577 4.697 4.120 0.000 0.000 0.272 648 V C 0.974 177.113 176.094 0.076 0.000 1.028 648 V CA -0.160 62.220 62.300 0.132 0.000 0.810 648 V CB 0.579 32.517 31.823 0.192 0.000 1.043 648 V HN 1.091 nan 8.190 nan 0.000 0.453 649 G N 4.469 113.292 108.800 0.038 0.000 2.727 649 G HA2 0.289 4.249 3.960 0.000 0.000 0.212 649 G HA3 0.289 4.249 3.960 0.000 0.000 0.212 649 G C 0.265 175.148 174.900 -0.029 0.000 2.076 649 G CA -0.292 44.812 45.100 0.008 0.000 0.744 649 G HN 0.488 nan 8.290 nan 0.000 0.775 650 K N 0.269 120.650 120.400 -0.032 0.000 2.179 650 K HA 0.613 4.933 4.320 0.000 0.000 0.238 650 K C 0.175 176.742 176.600 -0.055 0.000 1.033 650 K CA -0.367 55.880 56.287 -0.067 0.000 0.926 650 K CB 1.022 33.495 32.500 -0.045 0.000 1.151 650 K HN 0.403 nan 8.250 nan 0.000 0.492 651 A N 1.003 123.772 122.820 -0.084 0.000 2.561 651 A HA -0.102 4.218 4.320 0.000 0.000 0.234 651 A C 1.121 178.756 177.584 0.086 0.000 1.055 651 A CA 0.254 52.309 52.037 0.031 0.000 0.756 651 A CB 0.184 19.164 19.000 -0.032 0.000 0.986 651 A HN 0.890 nan 8.150 nan 0.000 0.505 652 Q N 0.658 120.499 119.800 0.068 0.000 2.230 652 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 652 Q C -0.677 175.199 176.000 -0.206 0.000 0.963 652 Q CA 1.056 56.763 55.803 -0.160 0.000 0.866 652 Q CB -0.017 28.479 28.738 -0.402 0.000 0.931 652 Q HN 0.769 nan 8.270 nan 0.000 0.452 653 Y N -0.182 120.217 120.300 0.165 0.000 2.567 653 Y HA 0.409 4.959 4.550 0.000 0.000 0.333 653 Y C -0.201 175.764 175.900 0.108 0.000 1.106 653 Y CA -1.120 56.987 58.100 0.011 0.000 1.157 653 Y CB 1.048 39.300 38.460 -0.346 0.000 1.277 653 Y HN -0.086 nan 8.280 nan 0.000 0.490 654 L N 1.411 122.762 121.223 0.213 0.000 2.349 654 L HA 0.160 4.500 4.340 0.000 0.000 0.275 654 L C 1.126 178.082 176.870 0.143 0.000 1.115 654 L CA -0.091 54.877 54.840 0.214 0.000 0.820 654 L CB 1.112 43.325 42.059 0.257 0.000 1.135 654 L HN 0.845 nan 8.230 nan 0.000 0.445 655 T N 1.356 116.070 114.554 0.267 0.000 2.699 655 T HA -0.264 4.086 4.350 0.000 0.000 0.268 655 T C 1.539 176.306 174.700 0.112 0.000 1.036 655 T CA 2.247 64.493 62.100 0.244 0.000 1.147 655 T CB -0.345 68.683 68.868 0.267 0.000 0.862 655 T HN 0.724 nan 8.240 nan 0.000 0.446 656 Y N 0.956 121.270 120.300 0.023 0.000 2.483 656 Y HA 0.147 4.698 4.550 0.000 0.000 0.291 656 Y C 1.698 177.576 175.900 -0.037 0.000 1.143 656 Y CA 0.451 58.552 58.100 0.001 0.000 1.289 656 Y CB -0.821 37.647 38.460 0.015 0.000 0.983 656 Y HN 0.189 nan 8.280 nan 0.000 0.556 657 L N -0.286 120.546 121.223 -0.650 0.000 2.298 657 L HA 0.232 4.573 4.340 0.000 0.000 0.209 657 L C 2.610 179.200 176.870 -0.467 0.000 1.084 657 L CA 0.699 55.161 54.840 -0.629 0.000 0.816 657 L CB -0.429 41.241 42.059 -0.649 0.000 0.967 657 L HN 0.330 nan 8.230 nan 0.000 0.460 658 A N -0.526 121.964 122.820 -0.549 0.000 1.911 658 A HA -0.152 4.168 4.320 0.000 0.000 0.212 658 A C 2.114 179.512 177.584 -0.311 0.000 1.189 658 A CA 0.816 52.416 52.037 -0.729 0.000 0.639 658 A CB -0.265 17.729 19.000 -1.676 0.000 0.839 658 A HN 0.288 nan 8.150 nan 0.000 0.449 659 Q N 0.715 120.403 119.800 -0.186 0.000 2.077 659 Q HA -0.118 4.222 4.340 0.000 0.000 0.206 659 Q C -0.922 175.094 176.000 0.027 0.000 0.989 659 Q CA 2.639 58.463 55.803 0.034 0.000 0.853 659 Q CB -1.442 27.343 28.738 0.077 0.000 0.907 659 Q HN 0.458 nan 8.270 nan 0.000 0.418 660 P HA -0.086 nan 4.420 nan 0.000 0.222 660 P C 0.701 177.973 177.300 -0.047 0.000 1.147 660 P CA 1.121 64.204 63.100 -0.029 0.000 0.790 660 P CB -0.084 31.591 31.700 -0.042 0.000 0.780 661 I N -0.988 119.556 120.570 -0.042 0.000 2.353 661 I HA -0.095 4.075 4.170 0.000 0.000 0.248 661 I C 0.610 176.678 176.117 -0.081 0.000 1.119 661 I CA 1.179 62.453 61.300 -0.044 0.000 1.417 661 I CB -0.205 37.822 38.000 0.045 0.000 1.078 661 I HN -0.105 nan 8.210 nan 0.000 0.421 662 E N 1.217 121.357 120.200 -0.100 0.000 2.873 662 E HA 0.192 4.542 4.350 0.000 0.000 0.232 662 E C -1.855 174.592 176.600 -0.255 0.000 1.123 662 E CA -1.649 54.509 56.400 -0.404 0.000 0.809 662 E CB 0.784 29.784 29.700 -1.167 0.000 1.366 662 E HN 0.143 nan 8.360 nan 0.000 0.400 663 P HA -0.174 nan 4.420 nan 0.000 0.219 663 P C 1.172 178.448 177.300 -0.041 0.000 1.146 663 P CA 1.085 64.153 63.100 -0.053 0.000 0.808 663 P CB 0.268 31.948 31.700 -0.032 0.000 0.779 664 S N -1.537 114.107 115.700 -0.094 0.000 2.607 664 S HA 0.220 4.690 4.470 0.000 0.000 0.224 664 S C 1.057 175.707 174.600 0.083 0.000 0.969 664 S CA 0.031 58.235 58.200 0.007 0.000 0.927 664 S CB -0.763 62.471 63.200 0.057 0.000 0.772 664 S HN 0.196 nan 8.310 nan 0.000 0.533 665 G N 0.528 109.327 108.800 -0.002 0.000 2.788 665 G HA2 0.533 4.493 3.960 0.000 0.000 0.293 665 G HA3 0.533 4.493 3.960 0.000 0.000 0.293 665 G C -1.338 173.738 174.900 0.294 0.000 1.305 665 G CA -0.863 44.379 45.100 0.237 0.000 1.005 665 G HN 0.210 nan 8.290 nan 0.000 0.496 666 N N -0.525 118.418 118.700 0.405 0.000 2.664 666 N HA 0.111 4.851 4.740 0.000 0.000 0.257 666 N C -0.423 175.295 175.510 0.346 0.000 1.108 666 N CA -0.638 52.594 53.050 0.304 0.000 0.822 666 N CB 1.243 39.848 38.487 0.195 0.000 1.199 666 N HN 0.469 nan 8.380 nan 0.000 0.529 667 Y N 2.314 122.700 120.300 0.144 0.000 2.352 667 Y HA -0.081 4.469 4.550 0.000 0.000 0.292 667 Y C 2.300 178.202 175.900 0.005 0.000 1.136 667 Y CA 1.571 59.576 58.100 -0.159 0.000 1.227 667 Y CB 0.140 38.335 38.460 -0.442 0.000 0.991 667 Y HN 0.529 nan 8.280 nan 0.000 0.545 668 S N -0.890 114.867 115.700 0.095 0.000 2.359 668 S HA -0.229 4.241 4.470 0.000 0.000 0.224 668 S C 2.225 176.812 174.600 -0.023 0.000 1.035 668 S CA 2.391 60.614 58.200 0.038 0.000 1.018 668 S CB -0.833 62.410 63.200 0.072 0.000 0.876 668 S HN 0.744 nan 8.310 nan 0.000 0.448 669 T N -1.025 113.542 114.554 0.021 0.000 2.821 669 T HA -0.091 4.259 4.350 0.000 0.000 0.267 669 T C 1.612 176.286 174.700 -0.043 0.000 1.046 669 T CA 1.334 63.435 62.100 0.002 0.000 1.139 669 T CB -0.829 68.067 68.868 0.045 0.000 0.871 669 T HN 0.417 nan 8.240 nan 0.000 0.454 670 F N 2.803 122.630 119.950 -0.205 0.000 2.102 670 F HA 0.144 4.671 4.527 0.001 0.000 0.298 670 F C 2.667 178.235 175.800 -0.387 0.000 1.105 670 F CA 1.036 58.855 58.000 -0.301 0.000 1.239 670 F CB -0.922 37.822 39.000 -0.426 0.000 0.991 670 F HN 0.265 nan 8.300 nan 0.000 0.474 671 A N 0.227 122.764 122.820 -0.472 0.000 1.877 671 A HA -0.181 4.139 4.320 0.000 0.000 0.216 671 A C 2.168 179.566 177.584 -0.309 0.000 1.186 671 A CA 1.790 53.562 52.037 -0.442 0.000 0.620 671 A CB -0.832 17.995 19.000 -0.288 0.000 0.822 671 A HN 0.452 nan 8.150 nan 0.000 0.443 672 E N -0.032 120.040 120.200 -0.212 0.000 2.058 672 E HA -0.187 4.163 4.350 0.000 0.000 0.194 672 E C 2.331 178.820 176.600 -0.186 0.000 0.997 672 E CA 1.368 57.678 56.400 -0.150 0.000 0.801 672 E CB -0.703 28.940 29.700 -0.094 0.000 0.746 672 E HN 0.576 nan 8.360 nan 0.000 0.450 673 A N 1.335 124.012 122.820 -0.238 0.000 2.024 673 A HA -0.186 4.134 4.320 0.000 0.000 0.220 673 A C 1.931 179.340 177.584 -0.292 0.000 1.164 673 A CA 1.254 53.146 52.037 -0.243 0.000 0.643 673 A CB -0.189 18.658 19.000 -0.255 0.000 0.806 673 A HN 0.107 nan 8.150 nan 0.000 0.451 674 Q N -0.355 119.207 119.800 -0.397 0.000 2.408 674 Q HA 0.072 4.412 4.340 0.000 0.000 0.205 674 Q C 1.438 177.315 176.000 -0.205 0.000 0.919 674 Q CA 0.627 56.221 55.803 -0.348 0.000 0.932 674 Q CB -0.186 28.258 28.738 -0.490 0.000 1.058 674 Q HN 0.700 nan 8.270 nan 0.000 0.517 675 K N 0.492 120.789 120.400 -0.173 0.000 2.211 675 K HA -0.095 4.225 4.320 0.000 0.000 0.204 675 K C 1.833 178.382 176.600 -0.085 0.000 1.047 675 K CA 1.632 57.854 56.287 -0.108 0.000 0.935 675 K CB 0.030 32.477 32.500 -0.088 0.000 0.728 675 K HN 0.159 nan 8.250 nan 0.000 0.452 676 T N -0.667 113.830 114.554 -0.095 0.000 3.069 676 T HA 0.062 4.412 4.350 0.000 0.000 0.252 676 T C 0.317 174.974 174.700 -0.071 0.000 1.053 676 T CA -0.499 61.558 62.100 -0.072 0.000 0.964 676 T CB 0.108 68.937 68.868 -0.066 0.000 1.005 676 T HN 0.028 nan 8.240 nan 0.000 0.532 677 R N 1.460 121.905 120.500 -0.091 0.000 2.537 677 R HA 0.514 4.854 4.340 0.000 0.000 0.280 677 R C 0.067 176.340 176.300 -0.045 0.000 1.058 677 R CA -0.026 56.026 56.100 -0.079 0.000 1.057 677 R CB 0.259 30.494 30.300 -0.108 0.000 0.973 677 R HN 0.326 nan 8.270 nan 0.000 0.438 678 A N 7.101 129.903 122.820 -0.030 0.000 2.476 678 A HA 0.240 4.560 4.320 0.000 0.000 0.275 678 A C -2.082 175.501 177.584 -0.003 0.000 1.133 678 A CA -1.302 50.727 52.037 -0.014 0.000 0.797 678 A CB -0.102 18.893 19.000 -0.008 0.000 1.081 678 A HN 0.595 nan 8.150 nan 0.000 0.510 679 P HA 0.135 nan 4.420 nan 0.000 0.262 679 P C -0.262 177.044 177.300 0.011 0.000 1.182 679 P CA 0.436 63.544 63.100 0.013 0.000 0.761 679 P CB 0.427 32.133 31.700 0.011 0.000 0.795 680 R N 1.982 122.495 120.500 0.021 0.000 2.725 680 R HA 0.603 4.943 4.340 0.000 0.000 0.277 680 R C -1.358 174.893 176.300 -0.083 0.000 0.987 680 R CA -0.965 55.092 56.100 -0.072 0.000 0.901 680 R CB 1.982 32.209 30.300 -0.122 0.000 1.207 680 R HN 0.174 nan 8.270 nan 0.000 0.463 681 V N 3.453 123.262 119.914 -0.174 0.000 2.448 681 V HA 0.438 4.558 4.120 0.000 0.000 0.295 681 V C -1.171 174.817 176.094 -0.176 0.000 1.025 681 V CA -0.748 61.534 62.300 -0.031 0.000 0.859 681 V CB 1.550 33.425 31.823 0.087 0.000 0.988 681 V HN 0.548 nan 8.190 nan 0.000 0.431 682 Y N 3.309 123.724 120.300 0.192 0.000 2.328 682 Y HA 0.621 5.171 4.550 0.000 0.000 0.337 682 Y C 0.025 176.073 175.900 0.246 0.000 0.966 682 Y CA -0.823 57.406 58.100 0.214 0.000 1.136 682 Y CB 1.926 40.477 38.460 0.153 0.000 1.170 682 Y HN 0.350 nan 8.280 nan 0.000 0.470 683 V N 2.899 123.060 119.914 0.412 0.000 2.417 683 V HA 0.546 4.666 4.120 0.000 0.000 0.291 683 V C 0.505 176.812 176.094 0.355 0.000 1.024 683 V CA -1.086 61.434 62.300 0.367 0.000 0.861 683 V CB 1.599 33.656 31.823 0.390 0.000 0.985 683 V HN 0.971 nan 8.190 nan 0.000 0.436 684 G N 3.332 112.305 108.800 0.288 0.000 2.356 684 G HA2 0.515 4.475 3.960 0.000 0.000 0.273 684 G HA3 0.515 4.475 3.960 0.000 0.000 0.273 684 G C 0.292 175.339 174.900 0.246 0.000 1.213 684 G CA 0.538 45.795 45.100 0.261 0.000 0.955 684 G HN 1.059 nan 8.290 nan 0.000 0.454 685 A N 3.235 126.218 122.820 0.272 0.000 2.621 685 A HA 0.487 4.808 4.320 0.000 0.000 0.267 685 A C 1.173 178.848 177.584 0.151 0.000 1.506 685 A CA -0.747 51.411 52.037 0.203 0.000 0.873 685 A CB 0.149 19.296 19.000 0.244 0.000 1.577 685 A HN 0.678 nan 8.150 nan 0.000 0.536 686 N N 2.104 120.868 118.700 0.108 0.000 2.328 686 N HA -0.082 4.658 4.740 0.000 0.000 0.290 686 N C -0.870 174.684 175.510 0.074 0.000 1.355 686 N CA 0.569 53.664 53.050 0.076 0.000 1.009 686 N CB -0.903 37.612 38.487 0.047 0.000 1.426 686 N HN 0.433 nan 8.380 nan 0.000 0.488 687 D N 3.067 123.509 120.400 0.071 0.000 4.055 687 D HA -0.202 4.438 4.640 0.000 0.000 0.198 687 D C 1.308 177.654 176.300 0.075 0.000 1.089 687 D CA 1.502 55.534 54.000 0.053 0.000 1.033 687 D CB -0.769 40.048 40.800 0.028 0.000 0.876 687 D HN 0.859 nan 8.370 nan 0.000 0.468 688 G N 1.632 110.512 108.800 0.134 0.000 3.400 688 G HA2 -0.291 3.669 3.960 0.000 0.000 0.209 688 G HA3 -0.291 3.669 3.960 0.000 0.000 0.209 688 G C 0.451 175.459 174.900 0.179 0.000 1.411 688 G CA 0.058 45.264 45.100 0.177 0.000 0.917 688 G HN 0.459 nan 8.290 nan 0.000 0.570 689 M N 1.900 121.559 119.600 0.098 0.000 2.261 689 M HA 0.356 4.836 4.480 0.000 0.000 0.350 689 M C 0.081 176.524 176.300 0.239 0.000 1.343 689 M CA 0.500 55.856 55.300 0.094 0.000 1.003 689 M CB 0.501 33.210 32.600 0.182 0.000 1.848 689 M HN 0.465 nan 8.290 nan 0.000 0.456 690 L N 5.489 126.805 121.223 0.155 0.000 2.406 690 L HA 0.466 4.806 4.340 0.000 0.000 0.272 690 L C -1.534 175.377 176.870 0.069 0.000 0.980 690 L CA -0.324 54.700 54.840 0.307 0.000 0.831 690 L CB 1.335 43.688 42.059 0.489 0.000 1.253 690 L HN 0.728 nan 8.230 nan 0.000 0.406 691 H N 2.724 121.875 119.070 0.135 0.000 2.495 691 H HA 0.704 5.260 4.556 0.000 0.000 0.348 691 H C 0.264 175.492 175.328 -0.167 0.000 1.113 691 H CA -0.284 55.702 56.048 -0.102 0.000 1.195 691 H CB 2.115 31.742 29.762 -0.225 0.000 1.521 691 H HN 0.753 nan 8.280 nan 0.000 0.509 692 G N 2.221 110.918 108.800 -0.173 0.000 2.372 692 G HA2 0.519 4.479 3.960 0.000 0.000 0.323 692 G HA3 0.519 4.479 3.960 0.000 0.000 0.323 692 G C -1.254 173.278 174.900 -0.614 0.000 1.152 692 G CA -0.340 44.537 45.100 -0.371 0.000 0.906 692 G HN 0.328 nan 8.290 nan 0.000 0.460 693 F N 0.256 120.104 119.950 -0.170 0.000 2.598 693 F HA 0.440 4.967 4.527 0.000 0.000 0.327 693 F C 0.389 176.118 175.800 -0.118 0.000 1.057 693 F CA -1.015 56.935 58.000 -0.084 0.000 0.957 693 F CB 2.044 41.019 39.000 -0.042 0.000 1.278 693 F HN 0.303 nan 8.300 nan 0.000 0.484 694 D N -0.293 120.195 120.400 0.146 0.000 2.432 694 D HA 0.043 4.683 4.640 0.000 0.000 0.258 694 D C 1.218 177.554 176.300 0.060 0.000 1.146 694 D CA 0.106 54.142 54.000 0.060 0.000 1.015 694 D CB 1.942 42.773 40.800 0.052 0.000 1.107 694 D HN 0.647 nan 8.370 nan 0.000 0.529 695 T N -0.379 114.193 114.554 0.031 0.000 2.869 695 T HA -0.156 4.194 4.350 0.000 0.000 0.270 695 T C 0.054 174.763 174.700 0.015 0.000 1.082 695 T CA 1.056 63.168 62.100 0.021 0.000 1.123 695 T CB -0.153 68.722 68.868 0.013 0.000 0.856 695 T HN 0.295 nan 8.240 nan 0.000 0.499 696 D N 1.045 121.459 120.400 0.023 0.000 2.551 696 D HA 0.302 4.942 4.640 0.000 0.000 0.294 696 D C 0.803 177.117 176.300 0.023 0.000 1.201 696 D CA -0.205 53.803 54.000 0.013 0.000 0.941 696 D CB 0.304 41.112 40.800 0.014 0.000 0.995 696 D HN 0.367 nan 8.370 nan 0.000 0.502 697 G N 2.588 111.383 108.800 -0.008 0.000 2.121 697 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 697 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 697 G C 0.152 175.108 174.900 0.093 0.000 0.763 697 G CA 0.378 45.446 45.100 -0.054 0.000 1.006 697 G HN 0.327 nan 8.290 nan 0.000 0.415 698 N N 0.879 119.712 118.700 0.222 0.000 2.372 698 N HA 0.187 4.927 4.740 0.000 0.000 0.285 698 N C -0.081 175.598 175.510 0.281 0.000 1.008 698 N CA -0.623 52.558 53.050 0.218 0.000 0.880 698 N CB 1.229 39.783 38.487 0.111 0.000 1.239 698 N HN 0.197 nan 8.380 nan 0.000 0.484 699 E N 1.431 121.783 120.200 0.253 0.000 2.603 699 E HA -0.031 4.319 4.350 0.000 0.000 0.242 699 E C 0.323 176.931 176.600 0.013 0.000 1.083 699 E CA 0.715 57.160 56.400 0.075 0.000 0.950 699 E CB 0.310 30.061 29.700 0.084 0.000 0.952 699 E HN 0.503 nan 8.360 nan 0.000 0.498 700 T N 2.509 117.035 114.554 -0.047 0.000 3.026 700 T HA 0.136 4.486 4.350 0.000 0.000 0.245 700 T C 0.049 174.809 174.700 0.101 0.000 1.004 700 T CA 0.084 62.198 62.100 0.023 0.000 1.069 700 T CB 0.334 69.214 68.868 0.019 0.000 1.005 700 T HN 0.431 nan 8.240 nan 0.000 0.472 701 F N 0.652 120.511 119.950 -0.153 0.000 2.662 701 F HA 0.693 5.220 4.527 0.000 0.000 0.312 701 F C -2.013 173.699 175.800 -0.147 0.000 1.113 701 F CA -1.075 56.873 58.000 -0.085 0.000 0.951 701 F CB 1.312 40.327 39.000 0.025 0.000 1.344 701 F HN 0.013 nan 8.300 nan 0.000 0.462 702 A N 3.337 125.349 122.820 -1.347 0.000 2.532 702 A HA 0.609 4.929 4.320 0.000 0.000 0.296 702 A C -2.481 174.381 177.584 -1.203 0.000 1.058 702 A CA -0.383 51.009 52.037 -1.074 0.000 0.729 702 A CB 0.596 19.155 19.000 -0.735 0.000 1.285 702 A HN 0.950 nan 8.150 nan 0.000 0.396 703 F N 2.977 122.417 119.950 -0.850 0.000 2.482 703 F HA 0.810 5.337 4.527 0.000 0.000 0.331 703 F C -0.893 174.674 175.800 -0.389 0.000 1.115 703 F CA -0.827 56.867 58.000 -0.508 0.000 0.955 703 F CB 1.235 40.120 39.000 -0.192 0.000 1.136 703 F HN 0.434 nan 8.300 nan 0.000 0.452 704 I N 8.434 128.290 120.570 -1.191 0.000 2.420 704 I HA 0.302 4.472 4.170 0.000 0.000 0.282 704 I C -2.228 173.198 176.117 -1.152 0.000 1.019 704 I CA -2.135 58.614 61.300 -0.919 0.000 1.130 704 I CB 1.479 39.130 38.000 -0.583 0.000 1.262 704 I HN 0.403 nan 8.210 nan 0.000 0.454 705 P HA 0.076 nan 4.420 nan 0.000 0.269 705 P C 0.566 177.774 177.300 -0.152 0.000 1.209 705 P CA -0.000 62.771 63.100 -0.548 0.000 0.776 705 P CB 1.084 32.678 31.700 -0.177 0.000 0.876 706 S N 2.091 117.798 115.700 0.011 0.000 2.423 706 S HA -0.220 4.250 4.470 0.000 0.000 0.238 706 S C 2.009 176.670 174.600 0.102 0.000 1.028 706 S CA 1.760 60.031 58.200 0.119 0.000 1.000 706 S CB -0.817 62.431 63.200 0.081 0.000 0.797 706 S HN 0.690 nan 8.310 nan 0.000 0.487 707 A N 1.099 123.947 122.820 0.048 0.000 1.908 707 A HA -0.082 4.238 4.320 0.000 0.000 0.218 707 A C 2.344 179.919 177.584 -0.015 0.000 1.181 707 A CA 1.714 53.771 52.037 0.032 0.000 0.627 707 A CB -0.917 18.111 19.000 0.046 0.000 0.818 707 A HN 0.368 nan 8.150 nan 0.000 0.445 708 V N -1.249 118.600 119.914 -0.108 0.000 2.295 708 V HA -0.257 3.863 4.120 0.000 0.000 0.246 708 V C 2.308 178.253 176.094 -0.249 0.000 1.049 708 V CA 2.164 64.323 62.300 -0.236 0.000 1.024 708 V CB -1.061 30.495 31.823 -0.444 0.000 0.648 708 V HN 0.558 nan 8.190 nan 0.000 0.447 709 F N 0.226 120.118 119.950 -0.097 0.000 2.269 709 F HA -0.113 4.414 4.527 0.000 0.000 0.301 709 F C 2.345 178.115 175.800 -0.050 0.000 1.082 709 F CA 1.434 59.386 58.000 -0.080 0.000 1.360 709 F CB -0.470 38.472 39.000 -0.097 0.000 1.041 709 F HN 0.143 nan 8.300 nan 0.000 0.512 710 E N 0.860 121.131 120.200 0.118 0.000 2.333 710 E HA -0.113 4.237 4.350 0.000 0.000 0.198 710 E C 0.571 177.195 176.600 0.041 0.000 1.007 710 E CA 0.273 56.715 56.400 0.070 0.000 0.845 710 E CB -0.233 29.498 29.700 0.051 0.000 0.766 710 E HN 0.190 nan 8.360 nan 0.000 0.507 724 A N 0.227 123.188 122.820 0.234 0.000 1.897 724 A HA 0.080 4.400 4.320 0.000 0.000 0.215 724 A C 1.842 179.684 177.584 0.429 0.000 1.181 724 A CA 2.119 54.370 52.037 0.356 0.000 0.620 724 A CB -0.928 18.276 19.000 0.340 0.000 0.821 724 A HN 0.608 nan 8.150 nan 0.000 0.443 725 H N -0.662 118.485 119.070 0.128 0.000 2.387 725 H HA -0.113 4.443 4.556 0.000 0.000 0.299 725 H C 2.152 177.455 175.328 -0.041 0.000 1.090 725 H CA 1.386 57.258 56.048 -0.293 0.000 1.332 725 H CB 0.130 29.654 29.762 -0.397 0.000 1.386 725 H HN 0.604 nan 8.280 nan 0.000 0.516 726 Q N -0.306 119.569 119.800 0.125 0.000 2.172 726 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 726 Q C 2.081 178.235 176.000 0.257 0.000 0.964 726 Q CA 1.060 56.922 55.803 0.099 0.000 0.855 726 Q CB -0.047 28.739 28.738 0.079 0.000 0.918 726 Q HN 0.543 nan 8.270 nan 0.000 0.444 727 F N 0.008 120.043 119.950 0.142 0.000 2.102 727 F HA -0.324 4.203 4.527 0.000 0.000 0.298 727 F C 2.268 178.199 175.800 0.219 0.000 1.105 727 F CA 1.078 59.177 58.000 0.164 0.000 1.239 727 F CB -0.023 39.084 39.000 0.178 0.000 0.991 727 F HN 0.104 nan 8.300 nan 0.000 0.474 728 Y N 0.777 121.146 120.300 0.115 0.000 2.163 728 Y HA -0.153 4.397 4.550 0.000 0.000 0.288 728 Y C 2.039 178.043 175.900 0.172 0.000 1.136 728 Y CA 1.775 59.901 58.100 0.043 0.000 1.147 728 Y CB -0.799 37.765 38.460 0.174 0.000 0.987 728 Y HN -0.096 nan 8.280 nan 0.000 0.509 729 V N 0.725 120.839 119.914 0.334 0.000 2.515 729 V HA -0.256 3.864 4.120 0.000 0.000 0.250 729 V C 1.804 178.008 176.094 0.183 0.000 1.058 729 V CA 2.076 64.572 62.300 0.326 0.000 1.064 729 V CB -0.737 31.191 31.823 0.175 0.000 0.675 729 V HN 0.356 nan 8.190 nan 0.000 0.461 730 D N -0.153 120.338 120.400 0.151 0.000 2.087 730 D HA 0.200 4.840 4.640 0.000 0.000 0.192 730 D C 1.136 177.498 176.300 0.103 0.000 0.993 730 D CA 2.034 56.116 54.000 0.136 0.000 0.828 730 D CB -0.132 40.784 40.800 0.193 0.000 0.968 730 D HN 0.574 nan 8.370 nan 0.000 0.448 731 G N -2.079 106.770 108.800 0.082 0.000 2.339 731 G HA2 0.342 4.302 3.960 0.000 0.000 0.275 731 G HA3 0.342 4.302 3.960 0.000 0.000 0.275 731 G C -1.266 173.668 174.900 0.056 0.000 1.323 731 G CA 0.037 45.159 45.100 0.037 0.000 0.927 731 G HN 0.429 nan 8.290 nan 0.000 0.486 732 S N 0.913 116.651 115.700 0.064 0.000 2.586 732 S HA 0.357 4.827 4.470 0.000 0.000 0.187 732 S C -2.675 171.958 174.600 0.055 0.000 0.635 732 S CA 0.186 58.440 58.200 0.090 0.000 0.799 732 S CB 0.261 63.493 63.200 0.054 0.000 1.394 732 S HN 0.924 nan 8.310 nan 0.000 0.467 733 P HA 0.286 nan 4.420 nan 0.000 0.270 733 P C -0.554 176.749 177.300 0.005 0.000 1.227 733 P CA -0.341 62.763 63.100 0.005 0.000 0.788 733 P CB 0.561 32.284 31.700 0.039 0.000 0.926 734 V N 1.730 121.616 119.914 -0.046 0.000 2.417 734 V HA 0.286 4.406 4.120 0.000 0.000 0.291 734 V C 0.521 176.595 176.094 -0.034 0.000 1.024 734 V CA -0.612 61.678 62.300 -0.018 0.000 0.861 734 V CB 1.544 33.359 31.823 -0.014 0.000 0.985 734 V HN 0.489 nan 8.190 nan 0.000 0.436 735 V N 2.303 122.216 119.914 -0.002 0.000 2.715 735 V HA 1.088 5.208 4.120 0.000 0.000 0.310 735 V C -0.156 175.944 176.094 0.010 0.000 1.054 735 V CA -0.500 61.791 62.300 -0.016 0.000 0.928 735 V CB 1.399 33.221 31.823 -0.001 0.000 1.007 735 V HN 1.307 nan 8.190 nan 0.000 0.437 736 A N 2.272 125.102 122.820 0.016 0.000 2.597 736 A HA 0.682 5.002 4.320 0.000 0.000 0.292 736 A C -1.648 175.968 177.584 0.053 0.000 1.057 736 A CA -0.682 51.373 52.037 0.030 0.000 0.674 736 A CB 1.486 20.551 19.000 0.108 0.000 1.278 736 A HN 0.811 nan 8.150 nan 0.000 0.416 737 D N 0.824 121.252 120.400 0.047 0.000 2.225 737 D HA 0.649 5.290 4.640 0.000 0.000 0.248 737 D C 0.104 176.427 176.300 0.038 0.000 1.096 737 D CA 0.775 54.858 54.000 0.139 0.000 0.863 737 D CB 1.755 42.696 40.800 0.235 0.000 1.156 737 D HN 0.921 nan 8.370 nan 0.000 0.450 738 A N 1.849 124.601 122.820 -0.114 0.000 2.527 738 A HA 0.685 5.005 4.320 0.000 0.000 0.293 738 A C -1.612 175.527 177.584 -0.742 0.000 1.117 738 A CA -0.761 50.802 52.037 -0.790 0.000 0.723 738 A CB 1.342 20.195 19.000 -0.245 0.000 1.313 738 A HN 0.429 nan 8.150 nan 0.000 0.411 739 F N 1.787 120.796 119.950 -1.568 0.000 2.467 739 F HA 0.762 5.289 4.527 -0.000 0.000 0.336 739 F C -0.953 174.683 175.800 -0.273 0.000 1.123 739 F CA -0.709 56.626 58.000 -1.108 0.000 0.964 739 F CB 1.158 39.273 39.000 -1.474 0.000 1.136 739 F HN 0.661 nan 8.300 nan 0.000 0.447 740 F N 2.175 121.714 119.950 -0.686 0.000 2.744 740 F HA 0.577 5.104 4.527 0.000 0.000 0.311 740 F C 0.176 175.746 175.800 -0.384 0.000 1.144 740 F CA -1.215 56.553 58.000 -0.386 0.000 0.938 740 F CB 0.982 39.875 39.000 -0.178 0.000 1.292 740 F HN 0.730 nan 8.300 nan 0.000 0.444 741 G N 0.257 109.043 108.800 -0.024 0.000 2.203 741 G HA2 0.228 4.188 3.960 0.000 0.000 0.263 741 G HA3 0.228 4.188 3.960 0.000 0.000 0.263 741 G C 1.309 176.064 174.900 -0.241 0.000 1.012 741 G CA 1.072 46.139 45.100 -0.054 0.000 0.749 741 G HN 2.863 nan 8.290 nan 0.000 0.512 742 G N -2.321 106.215 108.800 -0.440 0.000 2.153 742 G HA2 0.282 4.242 3.960 0.000 0.000 0.252 742 G HA3 0.282 4.242 3.960 0.000 0.000 0.252 742 G C 0.560 175.045 174.900 -0.692 0.000 0.994 742 G CA 1.254 46.094 45.100 -0.432 0.000 0.698 742 G HN 2.493 nan 8.290 nan 0.000 0.521 743 A N -1.662 120.430 122.820 -1.214 0.000 2.594 743 A HA 0.731 5.051 4.320 0.000 0.000 0.291 743 A C -0.823 176.032 177.584 -1.215 0.000 1.105 743 A CA -0.706 50.781 52.037 -0.917 0.000 0.694 743 A CB 0.822 19.467 19.000 -0.593 0.000 1.291 743 A HN 0.711 nan 8.150 nan 0.000 0.410 744 W N 1.110 121.982 121.300 -0.712 0.000 2.316 744 W HA 0.606 5.267 4.660 0.001 0.000 0.321 744 W C 0.410 176.237 176.519 -1.154 0.000 1.203 744 W CA 0.814 57.651 57.345 -0.848 0.000 1.214 744 W CB 0.851 29.672 29.460 -1.066 0.000 1.169 744 W HN 0.588 nan 8.180 nan 0.000 0.561 745 H N 0.707 119.517 119.070 -0.434 0.000 2.985 745 H HA 0.360 4.917 4.556 0.000 0.000 0.360 745 H C -0.965 174.368 175.328 0.008 0.000 1.221 745 H CA -0.942 54.997 56.048 -0.182 0.000 1.121 745 H CB 1.986 31.534 29.762 -0.356 0.000 1.854 745 H HN 0.044 nan 8.280 nan 0.000 0.551 746 T N 1.999 116.719 114.554 0.277 0.000 2.758 746 T HA 0.297 4.647 4.350 0.000 0.000 0.285 746 T C -0.088 174.663 174.700 0.086 0.000 0.981 746 T CA -0.464 61.751 62.100 0.191 0.000 0.965 746 T CB 1.266 70.243 68.868 0.182 0.000 0.927 746 T HN 0.224 nan 8.240 nan 0.000 0.448 747 V N 4.931 124.874 119.914 0.049 0.000 2.850 747 V HA 0.789 4.909 4.120 0.000 0.000 0.315 747 V C -0.953 175.066 176.094 -0.124 0.000 1.064 747 V CA -1.089 61.189 62.300 -0.037 0.000 0.979 747 V CB 1.906 33.729 31.823 0.001 0.000 1.039 747 V HN 0.816 nan 8.190 nan 0.000 0.452 748 L N 5.069 126.157 121.223 -0.225 0.000 2.406 748 L HA 0.643 4.983 4.340 0.000 0.000 0.272 748 L C -1.530 175.147 176.870 -0.323 0.000 0.980 748 L CA -0.515 54.170 54.840 -0.259 0.000 0.831 748 L CB 1.592 43.433 42.059 -0.363 0.000 1.253 748 L HN 0.615 nan 8.230 nan 0.000 0.406 749 I N 4.857 125.247 120.570 -0.299 0.000 2.321 749 I HA 0.648 4.818 4.170 0.000 0.000 0.291 749 I C 0.737 176.530 176.117 -0.540 0.000 0.998 749 I CA -0.039 61.010 61.300 -0.419 0.000 1.227 749 I CB 1.507 39.368 38.000 -0.230 0.000 1.368 749 I HN 0.592 nan 8.210 nan 0.000 0.466 750 G N 3.366 111.507 108.800 -1.099 0.000 2.511 750 G HA2 0.777 4.737 3.960 0.000 0.000 0.318 750 G HA3 0.777 4.737 3.960 0.000 0.000 0.318 750 G C -1.134 173.203 174.900 -0.938 0.000 1.210 750 G CA -0.569 43.781 45.100 -1.250 0.000 0.969 750 G HN 0.610 nan 8.290 nan 0.000 0.484 751 S N -0.291 115.170 115.700 -0.399 0.000 2.548 751 S HA 0.416 4.886 4.470 0.000 0.000 0.286 751 S C 0.802 175.419 174.600 0.028 0.000 1.098 751 S CA -0.834 57.271 58.200 -0.159 0.000 0.930 751 S CB 1.803 64.902 63.200 -0.169 0.000 1.070 751 S HN 0.408 nan 8.310 nan 0.000 0.480 752 L N 1.508 122.772 121.223 0.068 0.000 2.362 752 L HA -0.001 4.339 4.340 0.000 0.000 0.219 752 L C 1.608 178.472 176.870 -0.011 0.000 1.134 752 L CA 0.394 55.292 54.840 0.096 0.000 0.807 752 L CB -0.763 41.352 42.059 0.093 0.000 0.927 752 L HN 0.797 nan 8.230 nan 0.000 0.447 753 R N -0.892 119.510 120.500 -0.164 0.000 3.982 753 R HA -0.302 4.039 4.340 0.000 0.000 0.360 753 R C 1.345 177.385 176.300 -0.433 0.000 0.241 753 R CA 1.265 57.101 56.100 -0.441 0.000 1.177 753 R CB -1.740 28.414 30.300 -0.243 0.000 1.024 753 R HN 0.252 nan 8.270 nan 0.000 0.550 754 A N 1.196 123.838 122.820 -0.297 0.000 2.167 754 A HA 0.165 4.485 4.320 0.000 0.000 0.214 754 A C 2.052 179.653 177.584 0.029 0.000 1.151 754 A CA 1.905 53.887 52.037 -0.092 0.000 0.735 754 A CB -0.524 18.548 19.000 0.119 0.000 0.802 754 A HN 0.711 nan 8.150 nan 0.000 0.467 755 G N -0.125 108.711 108.800 0.060 0.000 2.484 755 G HA2 0.302 4.262 3.960 0.000 0.000 0.215 755 G HA3 0.302 4.262 3.960 0.000 0.000 0.215 755 G C 0.819 175.835 174.900 0.193 0.000 1.219 755 G CA 1.138 46.296 45.100 0.096 0.000 0.791 755 G HN 0.959 nan 8.290 nan 0.000 0.550 756 G N -1.558 107.357 108.800 0.191 0.000 2.870 756 G HA2 0.560 4.520 3.960 0.000 0.000 0.299 756 G HA3 0.560 4.520 3.960 0.000 0.000 0.299 756 G C -1.424 173.483 174.900 0.011 0.000 1.324 756 G CA -0.844 44.347 45.100 0.151 0.000 0.808 756 G HN 0.175 nan 8.290 nan 0.000 0.535 757 K N 0.260 120.572 120.400 -0.146 0.000 2.354 757 K HA 0.617 4.938 4.320 0.000 0.000 0.257 757 K C -0.212 176.340 176.600 -0.081 0.000 1.062 757 K CA -0.270 55.886 56.287 -0.218 0.000 0.971 757 K CB 1.293 33.585 32.500 -0.346 0.000 1.305 757 K HN 0.917 nan 8.250 nan 0.000 0.449 758 G N 1.819 110.601 108.800 -0.031 0.000 2.368 758 G HA2 0.398 4.358 3.960 0.000 0.000 0.293 758 G HA3 0.398 4.358 3.960 0.000 0.000 0.293 758 G C -2.118 172.830 174.900 0.080 0.000 1.467 758 G CA -0.738 44.388 45.100 0.043 0.000 0.804 758 G HN 0.145 nan 8.290 nan 0.000 0.535 759 L N -0.278 121.035 121.223 0.151 0.000 2.350 759 L HA 0.867 5.207 4.340 0.000 0.000 0.260 759 L C -0.597 176.451 176.870 0.296 0.000 1.015 759 L CA -0.844 54.072 54.840 0.127 0.000 0.821 759 L CB 1.535 43.678 42.059 0.140 0.000 1.370 759 L HN 0.877 nan 8.230 nan 0.000 0.416 760 F N -0.712 119.241 119.950 0.005 0.000 2.645 760 F HA 0.923 5.450 4.527 -0.000 0.000 0.310 760 F C -0.831 174.539 175.800 -0.717 0.000 1.102 760 F CA -1.139 56.712 58.000 -0.247 0.000 0.952 760 F CB 1.866 40.794 39.000 -0.119 0.000 1.326 760 F HN 0.486 nan 8.300 nan 0.000 0.456 761 A N 2.973 125.204 122.820 -0.981 0.000 2.356 761 A HA 0.844 5.164 4.320 0.000 0.000 0.310 761 A C -1.657 175.537 177.584 -0.649 0.000 1.075 761 A CA -0.780 50.632 52.037 -1.042 0.000 0.746 761 A CB 1.289 19.236 19.000 -1.755 0.000 1.221 761 A HN 0.846 nan 8.150 nan 0.000 0.443 762 L N 1.401 122.355 121.223 -0.448 0.000 2.342 762 L HA 0.466 4.806 4.340 0.000 0.000 0.271 762 L C -0.672 176.028 176.870 -0.284 0.000 1.008 762 L CA -0.959 53.662 54.840 -0.366 0.000 0.818 762 L CB 2.048 43.886 42.059 -0.368 0.000 1.296 762 L HN 0.695 nan 8.230 nan 0.000 0.427 763 D N 1.800 122.078 120.400 -0.203 0.000 2.380 763 D HA 0.192 4.832 4.640 0.000 0.000 0.230 763 D C -0.015 176.200 176.300 -0.141 0.000 1.154 763 D CA -0.166 53.777 54.000 -0.095 0.000 0.859 763 D CB 1.691 42.479 40.800 -0.019 0.000 1.045 763 D HN 0.173 nan 8.370 nan 0.000 0.495 764 V N 3.789 123.606 119.914 -0.161 0.000 3.177 764 V HA -0.007 4.114 4.120 0.000 0.000 0.342 764 V C 1.956 178.007 176.094 -0.072 0.000 1.379 764 V CA 0.081 62.252 62.300 -0.214 0.000 1.191 764 V CB 0.121 31.690 31.823 -0.424 0.000 1.167 764 V HN 0.526 nan 8.190 nan 0.000 0.471 765 T N -0.088 114.473 114.554 0.011 0.000 2.684 765 T HA -0.145 4.205 4.350 0.000 0.000 0.267 765 T C 0.935 175.635 174.700 -0.000 0.000 1.036 765 T CA 1.526 63.665 62.100 0.065 0.000 1.148 765 T CB -0.059 68.899 68.868 0.150 0.000 0.863 765 T HN 0.460 nan 8.240 nan 0.000 0.436 766 D N 1.548 121.941 120.400 -0.012 0.000 2.454 766 D HA 0.194 4.834 4.640 0.000 0.000 0.225 766 D C -1.646 174.633 176.300 -0.035 0.000 1.081 766 D CA -2.605 51.380 54.000 -0.025 0.000 0.864 766 D CB 1.719 42.510 40.800 -0.016 0.000 1.040 766 D HN 0.048 nan 8.370 nan 0.000 0.517 767 P HA -0.124 nan 4.420 nan 0.000 0.223 767 P C 0.824 178.115 177.300 -0.015 0.000 1.144 767 P CA 0.602 63.696 63.100 -0.010 0.000 0.783 767 P CB 0.396 32.108 31.700 0.019 0.000 0.771 768 A N -0.740 122.075 122.820 -0.008 0.000 2.081 768 A HA 0.018 4.338 4.320 0.000 0.000 0.214 768 A C 1.307 178.898 177.584 0.011 0.000 1.158 768 A CA 0.602 52.644 52.037 0.008 0.000 0.724 768 A CB -0.674 18.330 19.000 0.006 0.000 0.826 768 A HN 0.219 nan 8.150 nan 0.000 0.463 769 N N 0.010 118.706 118.700 -0.008 0.000 2.733 769 N HA 0.316 5.056 4.740 0.000 0.000 0.271 769 N C -1.178 174.315 175.510 -0.029 0.000 1.720 769 N CA -0.327 52.722 53.050 -0.001 0.000 0.803 769 N CB -0.047 38.443 38.487 0.006 0.000 1.208 769 N HN 0.214 nan 8.380 nan 0.000 0.498 770 I N 1.446 121.974 120.570 -0.071 0.000 2.529 770 I HA 0.145 4.315 4.170 0.000 0.000 0.284 770 I C 0.398 176.484 176.117 -0.053 0.000 1.082 770 I CA 0.032 61.239 61.300 -0.155 0.000 1.406 770 I CB 0.696 38.422 38.000 -0.457 0.000 1.405 770 I HN 0.153 nan 8.210 nan 0.000 0.548 771 K N 5.536 125.894 120.400 -0.070 0.000 2.328 771 K HA 0.553 4.873 4.320 0.000 0.000 0.246 771 K C -1.181 175.370 176.600 -0.081 0.000 0.955 771 K CA -1.042 55.227 56.287 -0.031 0.000 0.817 771 K CB 2.326 34.818 32.500 -0.014 0.000 1.208 771 K HN 0.264 nan 8.250 nan 0.000 0.432 772 L N 3.291 124.488 121.223 -0.045 0.000 2.260 772 L HA 0.207 4.547 4.340 0.000 0.000 0.289 772 L C 0.201 177.008 176.870 -0.104 0.000 1.057 772 L CA 0.231 55.013 54.840 -0.098 0.000 0.811 772 L CB 0.231 42.306 42.059 0.027 0.000 1.184 772 L HN 0.747 nan 8.230 nan 0.000 0.429 773 L N 5.090 126.172 121.223 -0.235 0.000 2.084 773 L HA 0.145 4.486 4.340 0.000 0.000 0.202 773 L C 0.181 177.029 176.870 -0.038 0.000 1.074 773 L CA 0.689 55.393 54.840 -0.227 0.000 0.757 773 L CB -0.121 41.636 42.059 -0.503 0.000 0.918 773 L HN 0.707 nan 8.230 nan 0.000 0.444 774 W N -1.741 119.528 121.300 -0.052 0.000 2.982 774 W HA 0.520 5.180 4.660 0.001 0.000 0.344 774 W C -1.499 175.052 176.519 0.052 0.000 1.215 774 W CA -0.761 56.574 57.345 -0.017 0.000 1.182 774 W CB 1.159 30.584 29.460 -0.059 0.000 1.437 774 W HN -0.249 nan 8.180 nan 0.000 0.570 775 E N 1.366 121.886 120.200 0.533 0.000 2.292 775 E HA 0.504 4.854 4.350 0.000 0.000 0.272 775 E C -0.996 175.833 176.600 0.382 0.000 0.881 775 E CA -0.937 55.741 56.400 0.463 0.000 0.754 775 E CB 2.931 32.814 29.700 0.305 0.000 1.201 775 E HN 0.186 nan 8.360 nan 0.000 0.425 776 I N 1.800 122.582 120.570 0.352 0.000 2.509 776 I HA 0.593 4.764 4.170 0.000 0.000 0.293 776 I C 0.497 176.676 176.117 0.104 0.000 1.020 776 I CA -0.451 60.938 61.300 0.148 0.000 1.088 776 I CB 1.258 39.286 38.000 0.046 0.000 1.267 776 I HN 0.649 nan 8.210 nan 0.000 0.430 777 G N 3.600 112.426 108.800 0.044 0.000 2.949 777 G HA2 0.495 4.455 3.960 0.000 0.000 0.285 777 G HA3 0.495 4.455 3.960 0.000 0.000 0.285 777 G C 0.497 175.386 174.900 -0.018 0.000 1.395 777 G CA -0.441 44.671 45.100 0.019 0.000 0.901 777 G HN 0.281 nan 8.290 nan 0.000 0.519 778 V N 0.503 120.396 119.914 -0.034 0.000 2.546 778 V HA -0.144 3.976 4.120 0.000 0.000 0.254 778 V C 2.362 178.435 176.094 -0.035 0.000 1.076 778 V CA 2.255 64.527 62.300 -0.046 0.000 1.087 778 V CB -0.390 31.401 31.823 -0.053 0.000 0.674 778 V HN 0.621 nan 8.190 nan 0.000 0.470 779 D N -0.427 119.959 120.400 -0.023 0.000 2.144 779 D HA -0.159 4.481 4.640 0.000 0.000 0.199 779 D C 2.331 178.613 176.300 -0.030 0.000 0.984 779 D CA 1.182 55.169 54.000 -0.021 0.000 0.834 779 D CB -0.040 40.754 40.800 -0.010 0.000 0.955 779 D HN 0.458 nan 8.370 nan 0.000 0.465 780 Q N -0.244 119.534 119.800 -0.035 0.000 2.165 780 Q HA 0.040 4.380 4.340 0.000 0.000 0.197 780 Q C 0.408 176.367 176.000 -0.070 0.000 0.952 780 Q CA 0.704 56.474 55.803 -0.056 0.000 0.848 780 Q CB 0.367 29.066 28.738 -0.065 0.000 0.931 780 Q HN -0.008 nan 8.270 nan 0.000 0.470 781 E N 0.523 120.684 120.200 -0.066 0.000 2.331 781 E HA 0.165 4.515 4.350 0.000 0.000 0.243 781 E C -2.202 174.361 176.600 -0.062 0.000 0.925 781 E CA -2.525 53.831 56.400 -0.073 0.000 0.760 781 E CB 1.044 30.692 29.700 -0.087 0.000 1.254 781 E HN -0.109 nan 8.360 nan 0.000 0.419 782 P HA -0.148 nan 4.420 nan 0.000 0.216 782 P C 0.017 177.288 177.300 -0.048 0.000 1.150 782 P CA 1.103 64.175 63.100 -0.046 0.000 0.843 782 P CB 0.441 32.118 31.700 -0.038 0.000 0.787 783 D N -0.497 119.872 120.400 -0.052 0.000 2.319 783 D HA 0.075 4.715 4.640 0.000 0.000 0.230 783 D C 0.630 176.893 176.300 -0.062 0.000 1.094 783 D CA -0.141 53.830 54.000 -0.048 0.000 0.856 783 D CB -0.217 40.555 40.800 -0.046 0.000 0.915 783 D HN 0.152 nan 8.370 nan 0.000 0.517 784 L N 1.138 122.315 121.223 -0.077 0.000 2.410 784 L HA 0.372 4.713 4.340 0.000 0.000 0.273 784 L C 0.703 177.497 176.870 -0.126 0.000 1.144 784 L CA 0.224 55.005 54.840 -0.098 0.000 0.863 784 L CB 1.011 43.015 42.059 -0.093 0.000 1.140 784 L HN -0.073 nan 8.230 nan 0.000 0.463 785 G N 3.046 111.765 108.800 -0.136 0.000 2.938 785 G HA2 0.266 4.226 3.960 0.000 0.000 0.258 785 G HA3 0.266 4.226 3.960 0.000 0.000 0.258 785 G C -1.275 173.491 174.900 -0.224 0.000 1.356 785 G CA -0.656 44.345 45.100 -0.165 0.000 1.052 785 G HN 0.436 nan 8.290 nan 0.000 0.550 786 Y N 0.582 120.862 120.300 -0.033 0.000 2.650 786 Y HA 0.138 4.688 4.550 0.000 0.000 0.331 786 Y C 1.466 177.199 175.900 -0.278 0.000 1.165 786 Y CA 0.383 58.415 58.100 -0.113 0.000 1.473 786 Y CB 0.742 39.242 38.460 0.065 0.000 1.224 786 Y HN 0.154 nan 8.280 nan 0.000 0.533 787 S N 5.183 120.754 115.700 -0.215 0.000 4.085 787 S HA 0.048 4.518 4.470 0.000 0.000 0.189 787 S C 0.894 175.305 174.600 -0.314 0.000 1.392 787 S CA -0.212 57.836 58.200 -0.253 0.000 0.972 787 S CB -0.783 62.312 63.200 -0.175 0.000 1.482 787 S HN 0.545 nan 8.310 nan 0.000 0.446 788 F N 1.871 121.718 119.950 -0.171 0.000 2.293 788 F HA 0.144 4.671 4.527 -0.000 0.000 0.297 788 F C -1.299 174.434 175.800 -0.112 0.000 1.089 788 F CA -0.803 57.135 58.000 -0.103 0.000 1.377 788 F CB -1.527 37.527 39.000 0.091 0.000 1.051 788 F HN 0.197 nan 8.300 nan 0.000 0.511 789 P HA -0.062 nan 4.420 nan 0.000 0.266 789 P C -0.386 176.915 177.300 0.001 0.000 1.195 789 P CA 0.172 63.271 63.100 -0.001 0.000 0.768 789 P CB 0.404 32.042 31.700 -0.103 0.000 0.838 790 K N 5.406 125.834 120.400 0.046 0.000 2.276 790 K HA 0.262 4.582 4.320 0.000 0.000 0.285 790 K C -2.214 174.399 176.600 0.022 0.000 1.062 790 K CA -2.009 54.295 56.287 0.027 0.000 0.918 790 K CB 0.361 32.897 32.500 0.060 0.000 1.055 790 K HN 0.309 nan 8.250 nan 0.000 0.477 791 P HA 0.124 nan 4.420 nan 0.000 0.276 791 P C -0.926 176.394 177.300 0.034 0.000 1.244 791 P CA -0.406 62.697 63.100 0.006 0.000 0.801 791 P CB 1.288 32.983 31.700 -0.009 0.000 1.006 792 T N 0.794 115.375 114.554 0.045 0.000 2.829 792 T HA 0.324 4.674 4.350 0.000 0.000 0.280 792 T C -0.342 174.420 174.700 0.104 0.000 0.999 792 T CA -0.428 61.717 62.100 0.075 0.000 0.983 792 T CB 0.986 69.894 68.868 0.066 0.000 0.968 792 T HN 0.067 nan 8.240 nan 0.000 0.446 793 V N 3.041 123.057 119.914 0.169 0.000 2.383 793 V HA 0.812 4.932 4.120 0.000 0.000 0.275 793 V C 0.183 176.490 176.094 0.354 0.000 1.036 793 V CA -0.319 62.148 62.300 0.278 0.000 0.889 793 V CB 0.712 32.725 31.823 0.317 0.000 0.985 793 V HN 1.101 nan 8.190 nan 0.000 0.459 794 A N 4.890 127.860 122.820 0.250 0.000 2.609 794 A HA 0.897 5.217 4.320 0.000 0.000 0.291 794 A C -0.899 176.349 177.584 -0.559 0.000 1.096 794 A CA -0.965 51.016 52.037 -0.093 0.000 0.684 794 A CB 1.750 20.680 19.000 -0.117 0.000 1.282 794 A HN 0.675 nan 8.150 nan 0.000 0.412 795 R N 0.551 120.344 120.500 -1.179 0.000 2.297 795 R HA 0.704 5.044 4.340 0.000 0.000 0.308 795 R C -1.206 174.713 176.300 -0.635 0.000 1.029 795 R CA -0.135 55.199 56.100 -1.277 0.000 0.929 795 R CB -0.054 29.368 30.300 -1.464 0.000 1.046 795 R HN 0.615 nan 8.270 nan 0.000 0.461 796 L N 3.139 124.108 121.223 -0.425 0.000 2.303 796 L HA 0.393 4.733 4.340 0.000 0.000 0.266 796 L C 1.089 177.844 176.870 -0.192 0.000 1.011 796 L CA -1.153 53.531 54.840 -0.260 0.000 0.818 796 L CB 1.599 43.618 42.059 -0.067 0.000 1.326 796 L HN 0.692 nan 8.230 nan 0.000 0.435 797 H N 1.242 120.324 119.070 0.020 0.000 2.567 797 H HA -0.059 4.498 4.556 0.000 0.000 0.276 797 H C 1.021 176.398 175.328 0.081 0.000 1.016 797 H CA 0.778 56.861 56.048 0.058 0.000 1.186 797 H CB 0.005 29.829 29.762 0.103 0.000 1.351 797 H HN 0.538 nan 8.280 nan 0.000 0.605 798 N N -0.088 118.734 118.700 0.203 0.000 2.398 798 N HA -0.015 4.726 4.740 0.000 0.000 0.188 798 N C 1.335 176.863 175.510 0.029 0.000 1.122 798 N CA 0.820 53.913 53.050 0.072 0.000 0.866 798 N CB 0.266 38.776 38.487 0.037 0.000 0.970 798 N HN 0.312 nan 8.380 nan 0.000 0.462 799 G N -0.249 108.560 108.800 0.014 0.000 2.176 799 G HA2 -0.264 3.696 3.960 0.000 0.000 0.253 799 G HA3 -0.264 3.696 3.960 0.000 0.000 0.253 799 G C -0.173 174.741 174.900 0.022 0.000 0.979 799 G CA 0.427 45.527 45.100 -0.000 0.000 0.641 799 G HN 0.533 nan 8.290 nan 0.000 0.530 800 K N -1.592 118.819 120.400 0.019 0.000 2.466 800 K HA 0.573 4.893 4.320 0.000 0.000 0.260 800 K C -0.936 175.693 176.600 0.048 0.000 1.011 800 K CA -1.103 55.245 56.287 0.101 0.000 0.871 800 K CB 1.395 33.965 32.500 0.117 0.000 1.404 800 K HN 0.036 nan 8.250 nan 0.000 0.450 801 W N 0.802 122.144 121.300 0.070 0.000 2.313 801 W HA 0.543 5.204 4.660 0.000 0.000 0.328 801 W C 0.018 176.567 176.519 0.051 0.000 1.197 801 W CA 0.300 57.691 57.345 0.076 0.000 1.235 801 W CB 1.372 30.919 29.460 0.145 0.000 1.158 801 W HN 0.607 nan 8.180 nan 0.000 0.578 802 A N 1.115 124.079 122.820 0.240 0.000 2.594 802 A HA 0.756 5.076 4.320 0.000 0.000 0.291 802 A C -1.850 175.826 177.584 0.153 0.000 1.105 802 A CA -0.794 51.328 52.037 0.141 0.000 0.694 802 A CB 1.182 20.208 19.000 0.044 0.000 1.291 802 A HN 0.293 nan 8.150 nan 0.000 0.410 803 V N 1.319 121.304 119.914 0.118 0.000 2.350 803 V HA 0.446 4.566 4.120 0.000 0.000 0.276 803 V C -0.478 175.633 176.094 0.027 0.000 1.028 803 V CA -0.324 62.048 62.300 0.119 0.000 0.860 803 V CB 1.132 33.080 31.823 0.208 0.000 0.990 803 V HN 0.612 nan 8.190 nan 0.000 0.453 804 V N 4.827 124.743 119.914 0.004 0.000 2.398 804 V HA 0.742 4.862 4.120 0.000 0.000 0.286 804 V C 0.136 176.198 176.094 -0.054 0.000 1.026 804 V CA -0.037 62.227 62.300 -0.060 0.000 0.868 804 V CB 1.679 33.448 31.823 -0.089 0.000 0.982 804 V HN 0.953 nan 8.190 nan 0.000 0.443 805 T N 2.851 117.352 114.554 -0.088 0.000 2.739 805 T HA 0.645 4.995 4.350 0.000 0.000 0.303 805 T C -0.131 174.503 174.700 -0.110 0.000 1.389 805 T CA 0.145 62.201 62.100 -0.073 0.000 1.001 805 T CB 1.784 70.620 68.868 -0.054 0.000 1.436 805 T HN 0.957 nan 8.240 nan 0.000 0.500 806 G N 1.418 110.167 108.800 -0.086 0.000 2.476 806 G HA2 0.301 4.261 3.960 0.000 0.000 0.269 806 G HA3 0.301 4.261 3.960 0.000 0.000 0.269 806 G C 1.119 175.943 174.900 -0.126 0.000 1.195 806 G CA -0.264 44.781 45.100 -0.092 0.000 0.843 806 G HN 0.812 nan 8.290 nan 0.000 0.545 807 N N 1.122 119.752 118.700 -0.116 0.000 2.519 807 N HA 0.067 4.807 4.740 0.000 0.000 0.186 807 N C 1.058 176.473 175.510 -0.158 0.000 1.062 807 N CA 1.159 54.139 53.050 -0.118 0.000 0.910 807 N CB -0.079 38.357 38.487 -0.084 0.000 0.958 807 N HN 1.357 nan 8.380 nan 0.000 0.445 808 G N -0.448 108.200 108.800 -0.253 0.000 2.610 808 G HA2 -0.174 3.786 3.960 0.000 0.000 0.304 808 G HA3 -0.174 3.786 3.960 0.000 0.000 0.304 808 G C -1.458 173.233 174.900 -0.348 0.000 1.309 808 G CA -0.301 44.513 45.100 -0.477 0.000 0.906 808 G HN 0.232 nan 8.290 nan 0.000 0.521 809 Y N 0.151 120.469 120.300 0.031 0.000 2.487 809 Y HA 0.575 5.125 4.550 0.000 0.000 0.337 809 Y C 1.355 177.374 175.900 0.198 0.000 1.076 809 Y CA -0.447 57.674 58.100 0.034 0.000 1.115 809 Y CB 1.756 40.020 38.460 -0.327 0.000 1.235 809 Y HN 1.931 nan 8.280 nan 0.000 0.468 810 S N -0.661 115.276 115.700 0.394 0.000 3.550 810 S HA -0.189 4.281 4.470 0.000 0.000 0.372 810 S C -0.108 174.607 174.600 0.191 0.000 0.966 810 S CA 0.237 58.635 58.200 0.330 0.000 1.229 810 S CB -2.574 60.908 63.200 0.470 0.000 0.917 810 S HN 1.027 nan 8.310 nan 0.000 0.496 811 S N 0.438 116.206 115.700 0.112 0.000 2.632 811 S HA 0.605 5.075 4.470 0.000 0.000 0.267 811 S C 1.402 176.019 174.600 0.028 0.000 1.276 811 S CA -0.163 58.047 58.200 0.016 0.000 0.998 811 S CB 1.088 64.288 63.200 -0.000 0.000 0.953 811 S HN 0.798 nan 8.310 nan 0.000 0.547 812 M N 1.439 121.036 119.600 -0.005 0.000 2.907 812 M HA -0.322 4.158 4.480 0.000 0.000 0.263 812 M C 0.491 176.808 176.300 0.028 0.000 1.036 812 M CA 2.366 57.671 55.300 0.007 0.000 1.047 812 M CB -0.596 31.999 32.600 -0.008 0.000 1.284 812 M HN 0.769 nan 8.290 nan 0.000 0.500 813 N N 0.378 119.093 118.700 0.025 0.000 2.321 813 N HA 0.056 4.796 4.740 0.000 0.000 0.242 813 N C -0.796 174.744 175.510 0.050 0.000 1.141 813 N CA 0.298 53.368 53.050 0.034 0.000 0.864 813 N CB 0.079 38.578 38.487 0.020 0.000 1.100 813 N HN 0.436 nan 8.380 nan 0.000 0.510 814 D N 0.538 120.979 120.400 0.069 0.000 2.792 814 D HA -0.191 4.449 4.640 0.000 0.000 0.231 814 D C -0.002 176.350 176.300 0.086 0.000 1.160 814 D CA 1.195 55.253 54.000 0.097 0.000 0.697 814 D CB -0.586 40.279 40.800 0.107 0.000 1.070 814 D HN 0.433 nan 8.370 nan 0.000 0.426 815 K N -0.169 120.265 120.400 0.056 0.000 2.098 815 K HA 0.625 4.945 4.320 0.000 0.000 0.244 815 K C 0.184 176.809 176.600 0.042 0.000 1.014 815 K CA -0.396 55.914 56.287 0.038 0.000 0.917 815 K CB 1.192 33.696 32.500 0.006 0.000 1.072 815 K HN 0.074 nan 8.250 nan 0.000 0.477 816 A N 0.733 123.564 122.820 0.018 0.000 2.343 816 A HA 0.754 5.074 4.320 0.000 0.000 0.316 816 A C -1.257 176.291 177.584 -0.060 0.000 1.104 816 A CA -0.497 51.550 52.037 0.015 0.000 0.768 816 A CB 1.310 20.348 19.000 0.063 0.000 1.213 816 A HN 0.669 nan 8.150 nan 0.000 0.456 817 A N 1.516 124.302 122.820 -0.057 0.000 2.604 817 A HA 0.657 4.977 4.320 0.000 0.000 0.295 817 A C -1.548 175.940 177.584 -0.160 0.000 1.067 817 A CA -0.499 51.480 52.037 -0.096 0.000 0.683 817 A CB 0.972 19.918 19.000 -0.091 0.000 1.281 817 A HN 1.618 nan 8.150 nan 0.000 0.407 818 L N 1.435 122.471 121.223 -0.311 0.000 2.305 818 L HA 0.645 4.985 4.340 0.000 0.000 0.281 818 L C -0.931 175.752 176.870 -0.311 0.000 1.085 818 L CA -0.085 54.457 54.840 -0.497 0.000 0.813 818 L CB 0.587 41.938 42.059 -1.180 0.000 1.157 818 L HN 0.563 nan 8.230 nan 0.000 0.436 819 L N 6.813 127.894 121.223 -0.236 0.000 2.287 819 L HA 0.484 4.824 4.340 0.000 0.000 0.287 819 L C -0.577 176.199 176.870 -0.158 0.000 1.022 819 L CA -0.404 54.333 54.840 -0.170 0.000 0.814 819 L CB 1.395 43.371 42.059 -0.139 0.000 1.217 819 L HN 0.544 nan 8.230 nan 0.000 0.420 820 I N 5.115 125.609 120.570 -0.128 0.000 2.359 820 I HA 0.370 4.540 4.170 0.000 0.000 0.284 820 I C -0.341 175.717 176.117 -0.098 0.000 1.018 820 I CA -0.265 60.980 61.300 -0.092 0.000 1.173 820 I CB 1.366 39.349 38.000 -0.027 0.000 1.326 820 I HN 0.462 nan 8.210 nan 0.000 0.462 821 I N 4.867 125.367 120.570 -0.118 0.000 2.339 821 I HA 0.187 4.357 4.170 0.000 0.000 0.290 821 I C 0.084 176.094 176.117 -0.179 0.000 0.994 821 I CA -0.621 60.550 61.300 -0.215 0.000 1.191 821 I CB 1.432 39.246 38.000 -0.309 0.000 1.343 821 I HN 0.493 nan 8.210 nan 0.000 0.458 822 D N 4.772 125.039 120.400 -0.222 0.000 2.487 822 D HA -0.051 4.589 4.640 0.000 0.000 0.243 822 D C 0.988 177.204 176.300 -0.140 0.000 1.154 822 D CA 0.054 53.967 54.000 -0.146 0.000 0.876 822 D CB 0.935 41.639 40.800 -0.161 0.000 1.161 822 D HN 0.467 nan 8.370 nan 0.000 0.478 823 M N 3.482 123.087 119.600 0.009 0.000 2.080 823 M HA -0.147 4.333 4.480 0.000 0.000 0.260 823 M C 1.675 177.890 176.300 -0.141 0.000 1.068 823 M CA 1.828 57.162 55.300 0.056 0.000 1.109 823 M CB -0.295 32.347 32.600 0.071 0.000 1.342 823 M HN 0.678 nan 8.290 nan 0.000 0.405 824 E N -1.859 118.133 120.200 -0.346 0.000 2.072 824 E HA -0.141 4.209 4.350 0.000 0.000 0.190 824 E C 1.375 177.893 176.600 -0.136 0.000 0.982 824 E CA 1.636 57.758 56.400 -0.463 0.000 0.803 824 E CB 0.037 29.597 29.700 -0.233 0.000 0.755 824 E HN 0.524 nan 8.360 nan 0.000 0.453 825 T N -1.333 113.125 114.554 -0.160 0.000 3.031 825 T HA 0.147 4.497 4.350 0.000 0.000 0.254 825 T C 1.141 175.569 174.700 -0.454 0.000 1.060 825 T CA 0.762 62.751 62.100 -0.185 0.000 1.135 825 T CB 0.393 69.162 68.868 -0.166 0.000 0.896 825 T HN 0.450 nan 8.240 nan 0.000 0.472 826 G N 1.615 109.832 108.800 -0.971 0.000 2.159 826 G HA2 -0.126 3.834 3.960 0.000 0.000 0.256 826 G HA3 -0.126 3.834 3.960 0.000 0.000 0.256 826 G C 0.258 174.631 174.900 -0.880 0.000 0.977 826 G CA 0.012 44.013 45.100 -1.832 0.000 0.652 826 G HN 0.888 nan 8.290 nan 0.000 0.531 827 A N 0.571 123.081 122.820 -0.517 0.000 2.407 827 A HA 0.624 4.945 4.320 0.000 0.000 0.248 827 A C 0.753 178.159 177.584 -0.296 0.000 1.082 827 A CA -0.205 51.640 52.037 -0.321 0.000 0.785 827 A CB 0.260 19.133 19.000 -0.212 0.000 1.020 827 A HN 0.647 nan 8.150 nan 0.000 0.489 828 I N 3.488 123.924 120.570 -0.223 0.000 2.389 828 I HA 0.041 4.211 4.170 0.000 0.000 0.295 828 I C 1.346 177.384 176.117 -0.132 0.000 1.117 828 I CA 0.475 61.668 61.300 -0.179 0.000 1.317 828 I CB -0.709 37.205 38.000 -0.144 0.000 1.431 828 I HN 0.729 nan 8.210 nan 0.000 0.521 829 T N 5.940 120.425 114.554 -0.115 0.000 2.777 829 T HA 0.019 4.369 4.350 0.000 0.000 0.266 829 T C 0.940 175.608 174.700 -0.052 0.000 1.040 829 T CA 1.156 63.211 62.100 -0.075 0.000 1.141 829 T CB 0.112 68.960 68.868 -0.034 0.000 0.868 829 T HN 0.387 nan 8.240 nan 0.000 0.444 830 R N 0.514 120.997 120.500 -0.027 0.000 2.594 830 R HA 0.465 4.805 4.340 0.000 0.000 0.265 830 R C -1.428 174.848 176.300 -0.040 0.000 1.070 830 R CA -0.725 55.371 56.100 -0.007 0.000 0.909 830 R CB 1.827 32.190 30.300 0.106 0.000 1.243 830 R HN 0.116 nan 8.270 nan 0.000 0.455 831 K N 2.563 122.934 120.400 -0.049 0.000 2.559 831 K HA 0.364 4.684 4.320 0.000 0.000 0.249 831 K C -1.019 175.546 176.600 -0.058 0.000 0.958 831 K CA -0.624 55.617 56.287 -0.076 0.000 0.901 831 K CB 0.735 33.189 32.500 -0.076 0.000 1.124 831 K HN 0.201 nan 8.250 nan 0.000 0.437 832 L N 4.069 125.243 121.223 -0.081 0.000 2.288 832 L HA 0.311 4.651 4.340 0.000 0.000 0.283 832 L C 0.179 177.048 176.870 -0.002 0.000 1.072 832 L CA 0.027 54.864 54.840 -0.005 0.000 0.862 832 L CB 0.660 42.758 42.059 0.064 0.000 1.245 832 L HN 0.702 nan 8.230 nan 0.000 0.432 833 E N 1.916 122.094 120.200 -0.036 0.000 2.354 833 E HA 0.351 4.701 4.350 0.000 0.000 0.269 833 E C -1.083 175.417 176.600 -0.167 0.000 1.036 833 E CA -0.301 56.049 56.400 -0.085 0.000 0.876 833 E CB 1.302 30.957 29.700 -0.074 0.000 1.009 833 E HN 0.290 nan 8.360 nan 0.000 0.416 834 V N 3.418 123.153 119.914 -0.298 0.000 2.555 834 V HA 0.245 4.365 4.120 0.000 0.000 0.302 834 V C -0.508 175.332 176.094 -0.423 0.000 1.038 834 V CA -0.526 61.373 62.300 -0.668 0.000 0.887 834 V CB 2.316 33.385 31.823 -1.257 0.000 0.991 834 V HN 0.775 nan 8.190 nan 0.000 0.434 835 T N 5.055 119.403 114.554 -0.343 0.000 2.832 835 T HA 0.516 4.866 4.350 0.000 0.000 0.313 835 T C 0.538 175.338 174.700 0.166 0.000 1.035 835 T CA 0.101 62.174 62.100 -0.045 0.000 0.950 835 T CB 0.922 69.793 68.868 0.004 0.000 0.984 835 T HN 0.890 nan 8.240 nan 0.000 0.486 836 G N 2.283 111.195 108.800 0.188 0.000 2.882 836 G HA2 0.425 4.386 3.960 0.000 0.000 0.164 836 G HA3 0.425 4.386 3.960 0.000 0.000 0.164 836 G C -0.238 174.752 174.900 0.150 0.000 1.429 836 G CA -0.881 44.380 45.100 0.268 0.000 1.059 836 G HN 0.533 nan 8.290 nan 0.000 0.581 837 R N 0.349 120.921 120.500 0.120 0.000 2.340 837 R HA 0.339 4.679 4.340 0.000 0.000 0.300 837 R C -0.169 176.172 176.300 0.068 0.000 1.069 837 R CA -0.174 55.972 56.100 0.078 0.000 0.984 837 R CB 0.793 31.129 30.300 0.060 0.000 1.003 837 R HN 0.382 nan 8.270 nan 0.000 0.459 838 T N 1.388 115.973 114.554 0.053 0.000 2.937 838 T HA 0.065 4.415 4.350 0.000 0.000 0.316 838 T C 1.473 176.200 174.700 0.045 0.000 1.079 838 T CA 1.071 63.198 62.100 0.045 0.000 1.131 838 T CB 0.768 69.656 68.868 0.035 0.000 1.000 838 T HN 0.897 nan 8.240 nan 0.000 0.549 839 G N 1.493 110.320 108.800 0.045 0.000 2.284 839 G HA2 -0.280 3.680 3.960 0.000 0.000 0.268 839 G HA3 -0.280 3.680 3.960 0.000 0.000 0.268 839 G C 0.309 175.241 174.900 0.054 0.000 0.980 839 G CA 0.403 45.530 45.100 0.045 0.000 0.631 839 G HN 0.795 nan 8.290 nan 0.000 0.548 840 V N 2.625 122.575 119.914 0.060 0.000 2.385 840 V HA 0.399 4.519 4.120 0.000 0.000 0.269 840 V C -1.481 174.665 176.094 0.088 0.000 1.043 840 V CA -1.506 60.836 62.300 0.069 0.000 0.906 840 V CB 1.357 33.221 31.823 0.067 0.000 0.995 840 V HN 0.092 nan 8.190 nan 0.000 0.467 841 P HA 0.080 nan 4.420 nan 0.000 0.264 841 P C -0.440 176.945 177.300 0.142 0.000 1.183 841 P CA 0.443 63.616 63.100 0.122 0.000 0.763 841 P CB 0.433 32.214 31.700 0.135 0.000 0.807 842 N N 0.948 119.741 118.700 0.156 0.000 2.697 842 N HA 0.810 5.550 4.740 0.000 0.000 0.272 842 N C -1.274 174.368 175.510 0.220 0.000 1.381 842 N CA -0.598 52.562 53.050 0.183 0.000 0.797 842 N CB 2.234 40.820 38.487 0.164 0.000 1.523 842 N HN 0.446 nan 8.380 nan 0.000 0.518 843 G N 0.315 109.275 108.800 0.266 0.000 2.498 843 G HA2 0.352 4.312 3.960 0.000 0.000 0.301 843 G HA3 0.352 4.312 3.960 0.000 0.000 0.301 843 G C -2.100 172.992 174.900 0.321 0.000 1.577 843 G CA -0.658 44.621 45.100 0.299 0.000 0.868 843 G HN 0.464 nan 8.290 nan 0.000 0.599 844 L N 1.612 122.944 121.223 0.182 0.000 2.349 844 L HA 0.714 5.054 4.340 0.000 0.000 0.275 844 L C 0.841 177.814 176.870 0.172 0.000 1.115 844 L CA 0.200 55.156 54.840 0.193 0.000 0.820 844 L CB 1.322 43.436 42.059 0.092 0.000 1.135 844 L HN 0.567 nan 8.230 nan 0.000 0.445 845 S N 1.168 117.028 115.700 0.268 0.000 2.647 845 S HA 0.395 4.866 4.470 0.000 0.000 0.284 845 S C -0.211 174.486 174.600 0.162 0.000 1.134 845 S CA -0.740 57.614 58.200 0.255 0.000 1.027 845 S CB 0.897 64.327 63.200 0.383 0.000 1.180 845 S HN 0.704 nan 8.310 nan 0.000 0.521 846 S N 3.879 119.684 115.700 0.175 0.000 2.546 846 S HA 0.140 4.610 4.470 0.000 0.000 0.290 846 S C -2.066 172.622 174.600 0.146 0.000 1.262 846 S CA -0.513 57.769 58.200 0.135 0.000 1.083 846 S CB -0.319 62.975 63.200 0.157 0.000 0.859 846 S HN 0.408 nan 8.310 nan 0.000 0.495 847 P HA 0.438 nan 4.420 nan 0.000 0.281 847 P C -0.725 176.657 177.300 0.137 0.000 1.264 847 P CA -0.918 62.260 63.100 0.129 0.000 0.824 847 P CB 0.857 32.584 31.700 0.046 0.000 1.092 848 R N 1.504 122.114 120.500 0.183 0.000 2.439 848 R HA 0.520 4.860 4.340 0.000 0.000 0.310 848 R C -1.251 175.162 176.300 0.188 0.000 0.955 848 R CA -0.748 55.452 56.100 0.167 0.000 0.853 848 R CB -0.182 30.218 30.300 0.166 0.000 1.171 848 R HN 0.233 nan 8.270 nan 0.000 0.449 849 L N 2.865 124.157 121.223 0.115 0.000 2.334 849 L HA 0.737 5.077 4.340 0.000 0.000 0.277 849 L C -0.074 176.843 176.870 0.078 0.000 1.075 849 L CA -0.144 54.746 54.840 0.083 0.000 0.804 849 L CB 1.737 43.798 42.059 0.004 0.000 1.174 849 L HN 0.854 nan 8.230 nan 0.000 0.438 850 A N 1.510 124.383 122.820 0.087 0.000 2.331 850 A HA 0.602 4.923 4.320 0.000 0.000 0.320 850 A C -1.055 176.476 177.584 -0.088 0.000 1.138 850 A CA -0.436 51.613 52.037 0.020 0.000 0.790 850 A CB 0.763 19.839 19.000 0.127 0.000 1.206 850 A HN 0.613 nan 8.150 nan 0.000 0.470 851 D N 1.822 122.139 120.400 -0.138 0.000 2.438 851 D HA 0.247 4.887 4.640 0.000 0.000 0.257 851 D C -0.144 176.031 176.300 -0.208 0.000 1.148 851 D CA -0.367 53.518 54.000 -0.192 0.000 0.902 851 D CB 0.495 41.215 40.800 -0.133 0.000 1.062 851 D HN 0.330 nan 8.370 nan 0.000 0.518 852 N N 2.337 120.802 118.700 -0.391 0.000 2.461 852 N HA -0.039 4.701 4.740 0.000 0.000 0.188 852 N C 0.469 175.942 175.510 -0.063 0.000 1.134 852 N CA 0.209 53.104 53.050 -0.258 0.000 0.878 852 N CB 0.077 38.362 38.487 -0.337 0.000 0.972 852 N HN 0.510 nan 8.380 nan 0.000 0.456 853 N N -1.142 117.513 118.700 -0.074 0.000 2.299 853 N HA 0.042 4.782 4.740 0.000 0.000 0.246 853 N C -0.735 174.805 175.510 0.051 0.000 1.254 853 N CA -0.235 52.877 53.050 0.104 0.000 0.879 853 N CB 0.001 38.638 38.487 0.249 0.000 1.214 853 N HN -0.305 nan 8.380 nan 0.000 0.510 854 S N 1.539 117.242 115.700 0.005 0.000 3.336 854 S HA -0.160 4.310 4.470 0.000 0.000 0.362 854 S C -0.013 174.567 174.600 -0.033 0.000 0.941 854 S CA 1.185 59.379 58.200 -0.011 0.000 1.297 854 S CB -1.229 61.985 63.200 0.023 0.000 0.915 854 S HN 0.813 nan 8.310 nan 0.000 0.527 855 D N -1.118 119.245 120.400 -0.062 0.000 2.503 855 D HA 0.377 5.017 4.640 0.000 0.000 0.218 855 D C 1.137 177.354 176.300 -0.139 0.000 1.183 855 D CA 0.419 54.372 54.000 -0.078 0.000 0.827 855 D CB -0.248 40.527 40.800 -0.042 0.000 1.034 855 D HN 0.783 nan 8.370 nan 0.000 0.510 856 G N -0.153 108.550 108.800 -0.161 0.000 2.159 856 G HA2 -0.226 3.734 3.960 0.000 0.000 0.256 856 G HA3 -0.226 3.734 3.960 0.000 0.000 0.256 856 G C -0.056 174.666 174.900 -0.296 0.000 0.977 856 G CA 0.322 45.295 45.100 -0.212 0.000 0.652 856 G HN 0.408 nan 8.290 nan 0.000 0.531 857 V N 1.163 120.893 119.914 -0.305 0.000 2.357 857 V HA 0.767 4.887 4.120 0.000 0.000 0.284 857 V C 0.858 176.722 176.094 -0.383 0.000 1.018 857 V CA -0.576 61.463 62.300 -0.436 0.000 0.841 857 V CB 1.260 32.751 31.823 -0.553 0.000 0.991 857 V HN 1.131 nan 8.190 nan 0.000 0.437 858 A N 3.399 126.009 122.820 -0.351 0.000 2.531 858 A HA 0.257 4.577 4.320 0.000 0.000 0.236 858 A C 0.725 178.189 177.584 -0.201 0.000 1.062 858 A CA 0.133 52.020 52.037 -0.248 0.000 0.760 858 A CB 0.037 18.905 19.000 -0.219 0.000 0.995 858 A HN 0.889 nan 8.150 nan 0.000 0.501 859 D N -0.342 119.929 120.400 -0.215 0.000 2.514 859 D HA 0.170 4.811 4.640 0.000 0.000 0.249 859 D C -0.494 175.477 176.300 -0.548 0.000 1.036 859 D CA 1.221 55.021 54.000 -0.333 0.000 0.911 859 D CB 0.202 40.625 40.800 -0.628 0.000 1.145 859 D HN 0.608 nan 8.370 nan 0.000 0.495 860 Y N 0.022 120.245 120.300 -0.128 0.000 2.638 860 Y HA 0.614 5.164 4.550 0.000 0.000 0.339 860 Y C -0.576 175.261 175.900 -0.105 0.000 1.084 860 Y CA -1.432 56.578 58.100 -0.150 0.000 1.068 860 Y CB 1.975 40.321 38.460 -0.190 0.000 1.294 860 Y HN -0.189 nan 8.280 nan 0.000 0.480 861 A N 0.779 123.649 122.820 0.083 0.000 2.422 861 A HA 0.814 5.134 4.320 0.000 0.000 0.302 861 A C -2.323 175.361 177.584 0.167 0.000 1.041 861 A CA -0.650 51.467 52.037 0.134 0.000 0.708 861 A CB 0.737 19.752 19.000 0.026 0.000 1.257 861 A HN 0.619 nan 8.150 nan 0.000 0.414 862 Y N 0.437 120.867 120.300 0.215 0.000 2.409 862 Y HA 0.728 5.278 4.550 0.000 0.000 0.343 862 Y C 0.411 176.451 175.900 0.234 0.000 0.973 862 Y CA -0.099 58.130 58.100 0.215 0.000 1.064 862 Y CB 2.517 41.045 38.460 0.113 0.000 1.207 862 Y HN 1.063 nan 8.280 nan 0.000 0.452 863 A N 1.330 124.414 122.820 0.441 0.000 2.566 863 A HA 0.748 5.068 4.320 0.000 0.000 0.297 863 A C -0.571 177.213 177.584 0.333 0.000 1.059 863 A CA -0.286 51.968 52.037 0.361 0.000 0.691 863 A CB 0.890 20.110 19.000 0.367 0.000 1.282 863 A HN 0.913 nan 8.150 nan 0.000 0.401 864 G N 0.372 109.315 108.800 0.238 0.000 2.488 864 G HA2 0.618 4.578 3.960 0.000 0.000 0.318 864 G HA3 0.618 4.578 3.960 0.000 0.000 0.318 864 G C -0.863 174.226 174.900 0.316 0.000 1.188 864 G CA 0.082 45.292 45.100 0.183 0.000 0.944 864 G HN 1.001 nan 8.290 nan 0.000 0.495 865 D N -1.198 119.387 120.400 0.308 0.000 2.493 865 D HA 0.229 4.869 4.640 0.000 0.000 0.239 865 D C 1.294 177.749 176.300 0.259 0.000 1.049 865 D CA -0.970 53.240 54.000 0.351 0.000 1.008 865 D CB 0.894 41.970 40.800 0.459 0.000 1.398 865 D HN 0.183 nan 8.370 nan 0.000 0.513 866 L N -0.642 120.727 121.223 0.243 0.000 2.261 866 L HA -0.167 4.173 4.340 0.000 0.000 0.216 866 L C 1.895 178.847 176.870 0.137 0.000 1.114 866 L CA 1.223 56.154 54.840 0.151 0.000 0.777 866 L CB -0.437 41.697 42.059 0.126 0.000 0.910 866 L HN 0.443 nan 8.230 nan 0.000 0.440 867 Q N -0.544 119.351 119.800 0.157 0.000 2.403 867 Q HA 0.077 4.418 4.340 0.000 0.000 0.203 867 Q C 1.423 177.467 176.000 0.074 0.000 0.932 867 Q CA 0.501 56.374 55.803 0.116 0.000 0.945 867 Q CB 0.498 29.319 28.738 0.137 0.000 1.045 867 Q HN 0.582 nan 8.270 nan 0.000 0.511 868 G N 1.214 110.065 108.800 0.085 0.000 2.157 868 G HA2 -0.211 3.749 3.960 0.000 0.000 0.248 868 G HA3 -0.211 3.749 3.960 0.000 0.000 0.248 868 G C -0.140 174.725 174.900 -0.059 0.000 0.979 868 G CA -0.248 44.882 45.100 0.049 0.000 0.650 868 G HN 0.268 nan 8.290 nan 0.000 0.529 869 N N 0.443 119.073 118.700 -0.116 0.000 2.499 869 N HA 0.418 5.158 4.740 0.000 0.000 0.281 869 N C -0.456 174.747 175.510 -0.511 0.000 1.098 869 N CA -0.291 52.502 53.050 -0.427 0.000 0.979 869 N CB 1.772 39.864 38.487 -0.657 0.000 1.121 869 N HN 0.161 nan 8.380 nan 0.000 0.466 870 L N 3.749 124.603 121.223 -0.615 0.000 2.277 870 L HA 0.426 4.766 4.340 0.000 0.000 0.284 870 L C -1.124 175.485 176.870 -0.435 0.000 1.028 870 L CA -0.503 54.029 54.840 -0.514 0.000 0.835 870 L CB -0.216 41.353 42.059 -0.817 0.000 1.215 870 L HN 0.535 nan 8.230 nan 0.000 0.425 871 W N 5.393 126.655 121.300 -0.063 0.000 2.448 871 W HA 0.611 5.271 4.660 -0.000 0.000 0.339 871 W C 0.385 176.734 176.519 -0.282 0.000 1.124 871 W CA -0.563 56.662 57.345 -0.201 0.000 1.262 871 W CB 1.160 30.418 29.460 -0.337 0.000 1.251 871 W HN 0.394 nan 8.180 nan 0.000 0.597 872 R N 1.528 121.843 120.500 -0.310 0.000 2.750 872 R HA 0.622 4.962 4.340 0.000 0.000 0.281 872 R C -1.854 173.972 176.300 -0.790 0.000 0.972 872 R CA -0.787 54.958 56.100 -0.591 0.000 0.912 872 R CB 1.216 31.058 30.300 -0.763 0.000 1.187 872 R HN 0.486 nan 8.270 nan 0.000 0.464 873 F N 1.360 121.138 119.950 -0.286 0.000 2.529 873 F HA 0.296 4.823 4.527 0.000 0.000 0.320 873 F C -0.317 175.408 175.800 -0.125 0.000 1.118 873 F CA -0.960 56.930 58.000 -0.185 0.000 0.915 873 F CB 1.938 40.846 39.000 -0.152 0.000 1.161 873 F HN 0.305 nan 8.300 nan 0.000 0.445 874 D N 3.828 124.265 120.400 0.061 0.000 2.295 874 D HA 0.298 4.938 4.640 0.000 0.000 0.248 874 D C 0.330 176.589 176.300 -0.069 0.000 1.154 874 D CA 0.125 54.156 54.000 0.052 0.000 0.857 874 D CB 1.368 42.197 40.800 0.050 0.000 1.117 874 D HN 0.474 nan 8.370 nan 0.000 0.468 875 L N 3.461 124.533 121.223 -0.252 0.000 2.984 875 L HA 0.336 4.676 4.340 0.000 0.000 0.246 875 L C 0.339 177.120 176.870 -0.148 0.000 1.268 875 L CA -0.193 54.334 54.840 -0.522 0.000 1.054 875 L CB -0.585 41.090 42.059 -0.640 0.000 1.393 875 L HN 0.300 nan 8.230 nan 0.000 0.532 876 I N -3.751 116.792 120.570 -0.045 0.000 3.002 876 I HA 0.840 5.011 4.170 0.000 0.000 0.310 876 I C 0.339 176.460 176.117 0.007 0.000 1.087 876 I CA -1.121 60.106 61.300 -0.121 0.000 1.017 876 I CB 1.607 39.447 38.000 -0.266 0.000 1.226 876 I HN -0.084 nan 8.210 nan 0.000 0.443 877 A N 1.876 124.658 122.820 -0.064 0.000 2.448 877 A HA 0.446 4.766 4.320 0.000 0.000 0.239 877 A C 1.286 178.847 177.584 -0.038 0.000 1.080 877 A CA 0.449 52.461 52.037 -0.042 0.000 0.779 877 A CB -0.155 18.805 19.000 -0.067 0.000 1.026 877 A HN 1.101 nan 8.150 nan 0.000 0.499 878 G N 0.068 108.851 108.800 -0.029 0.000 2.394 878 G HA2 -0.054 3.907 3.960 0.000 0.000 0.215 878 G HA3 -0.054 3.907 3.960 0.000 0.000 0.215 878 G C 0.693 175.573 174.900 -0.033 0.000 1.165 878 G CA 0.428 45.514 45.100 -0.023 0.000 0.784 878 G HN 0.691 nan 8.290 nan 0.000 0.535 879 K N 1.263 121.639 120.400 -0.040 0.000 2.150 879 K HA 0.406 4.726 4.320 0.000 0.000 0.261 879 K C -0.841 175.726 176.600 -0.056 0.000 1.127 879 K CA -0.382 55.880 56.287 -0.042 0.000 0.989 879 K CB 1.482 33.960 32.500 -0.038 0.000 1.475 879 K HN -0.009 nan 8.250 nan 0.000 0.391 880 V N 2.475 122.350 119.914 -0.065 0.000 2.644 880 V HA 0.092 4.212 4.120 0.000 0.000 0.295 880 V C 0.062 176.105 176.094 -0.085 0.000 1.053 880 V CA -0.796 61.449 62.300 -0.092 0.000 0.987 880 V CB 1.503 33.254 31.823 -0.119 0.000 1.006 880 V HN 0.582 nan 8.190 nan 0.000 0.472 881 N N 2.521 121.163 118.700 -0.096 0.000 2.500 881 N HA 0.255 4.995 4.740 0.000 0.000 0.236 881 N C 0.889 176.340 175.510 -0.099 0.000 1.022 881 N CA -0.098 52.905 53.050 -0.079 0.000 0.935 881 N CB 1.074 39.524 38.487 -0.062 0.000 1.147 881 N HN 0.583 nan 8.380 nan 0.000 0.512 882 Q N 0.621 120.371 119.800 -0.084 0.000 2.315 882 Q HA -0.278 4.062 4.340 0.000 0.000 0.213 882 Q C 0.568 176.519 176.000 -0.081 0.000 0.994 882 Q CA 2.064 57.817 55.803 -0.084 0.000 0.906 882 Q CB -0.056 28.651 28.738 -0.053 0.000 0.918 882 Q HN 0.718 nan 8.270 nan 0.000 0.427 883 D N -1.039 119.323 120.400 -0.063 0.000 2.289 883 D HA -0.070 4.570 4.640 0.000 0.000 0.207 883 D C 0.239 176.507 176.300 -0.053 0.000 0.966 883 D CA 0.723 54.696 54.000 -0.045 0.000 0.868 883 D CB 0.264 41.047 40.800 -0.027 0.000 0.943 883 D HN -0.006 nan 8.370 nan 0.000 0.514 884 D N -0.623 119.727 120.400 -0.084 0.000 2.978 884 D HA 0.103 4.743 4.640 0.000 0.000 0.268 884 D C -1.888 174.312 176.300 -0.167 0.000 1.252 884 D CA -1.574 52.375 54.000 -0.086 0.000 0.771 884 D CB 0.910 41.693 40.800 -0.028 0.000 1.361 884 D HN -0.138 nan 8.370 nan 0.000 0.558 885 P HA -0.121 nan 4.420 nan 0.000 0.218 885 P C 1.088 178.105 177.300 -0.471 0.000 1.148 885 P CA 0.851 63.656 63.100 -0.493 0.000 0.822 885 P CB -0.078 31.169 31.700 -0.756 0.000 0.784 886 F N -0.260 119.669 119.950 -0.036 0.000 2.660 886 F HA 0.172 4.699 4.527 0.000 0.000 0.302 886 F C 1.605 177.435 175.800 0.049 0.000 1.103 886 F CA -0.695 57.289 58.000 -0.027 0.000 1.340 886 F CB -0.161 38.859 39.000 0.033 0.000 1.048 886 F HN -0.134 nan 8.300 nan 0.000 0.551 887 S N 1.148 116.911 115.700 0.104 0.000 2.563 887 S HA 0.048 4.518 4.470 0.000 0.000 0.284 887 S C 1.377 176.062 174.600 0.141 0.000 1.331 887 S CA -0.308 57.951 58.200 0.097 0.000 1.047 887 S CB 0.741 63.957 63.200 0.027 0.000 0.859 887 S HN 0.405 nan 8.310 nan 0.000 0.514 888 R N 2.721 123.299 120.500 0.130 0.000 2.334 888 R HA 0.147 4.488 4.340 0.000 0.000 0.216 888 R C 2.212 178.557 176.300 0.075 0.000 0.905 888 R CA 0.597 56.778 56.100 0.135 0.000 1.064 888 R CB -0.443 29.894 30.300 0.063 0.000 1.046 888 R HN 0.778 nan 8.270 nan 0.000 0.508 889 A N 1.972 124.821 122.820 0.048 0.000 1.927 889 A HA -0.195 4.125 4.320 0.000 0.000 0.220 889 A C 1.442 179.038 177.584 0.020 0.000 1.185 889 A CA 1.537 53.589 52.037 0.025 0.000 0.639 889 A CB -0.210 18.797 19.000 0.013 0.000 0.820 889 A HN 0.253 nan 8.150 nan 0.000 0.451 890 N N 0.643 119.356 118.700 0.021 0.000 2.251 890 N HA 0.081 4.821 4.740 0.000 0.000 0.217 890 N C -0.963 174.561 175.510 0.024 0.000 1.124 890 N CA -0.047 53.009 53.050 0.010 0.000 0.843 890 N CB 0.024 38.505 38.487 -0.010 0.000 1.024 890 N HN 0.373 nan 8.380 nan 0.000 0.501 891 D N 0.759 121.193 120.400 0.056 0.000 2.443 891 D HA 0.438 5.078 4.640 0.000 0.000 0.239 891 D C 1.050 177.367 176.300 0.028 0.000 1.136 891 D CA 0.947 54.991 54.000 0.073 0.000 0.879 891 D CB 0.963 41.811 40.800 0.080 0.000 1.195 891 D HN 0.299 nan 8.370 nan 0.000 0.443 892 G N 1.359 110.170 108.800 0.017 0.000 2.321 892 G HA2 0.124 4.084 3.960 0.000 0.000 0.298 892 G HA3 0.124 4.084 3.960 0.000 0.000 0.298 892 G C -2.412 172.465 174.900 -0.039 0.000 1.385 892 G CA -0.818 44.277 45.100 -0.008 0.000 0.856 892 G HN 0.199 nan 8.290 nan 0.000 0.584 893 P HA -0.101 nan 4.420 nan 0.000 0.218 893 P C 1.845 179.070 177.300 -0.125 0.000 1.146 893 P CA 1.977 65.027 63.100 -0.084 0.000 0.813 893 P CB 0.036 31.699 31.700 -0.062 0.000 0.778 894 A N -0.112 122.648 122.820 -0.100 0.000 2.070 894 A HA -0.078 4.242 4.320 0.000 0.000 0.220 894 A C 2.336 179.822 177.584 -0.163 0.000 1.159 894 A CA 1.376 53.346 52.037 -0.113 0.000 0.656 894 A CB -1.451 17.504 19.000 -0.076 0.000 0.800 894 A HN 0.117 nan 8.150 nan 0.000 0.453 895 V N -0.408 119.398 119.914 -0.181 0.000 2.667 895 V HA -0.159 3.961 4.120 0.000 0.000 0.252 895 V C 2.933 178.647 176.094 -0.632 0.000 1.065 895 V CA 1.380 63.535 62.300 -0.242 0.000 1.083 895 V CB -1.122 30.655 31.823 -0.077 0.000 0.692 895 V HN 0.588 nan 8.190 nan 0.000 0.468 896 A N 1.271 123.632 122.820 -0.766 0.000 1.948 896 A HA -0.250 4.070 4.320 0.000 0.000 0.220 896 A C 2.551 179.653 177.584 -0.804 0.000 1.177 896 A CA 2.365 53.671 52.037 -1.220 0.000 0.636 896 A CB -0.781 17.867 19.000 -0.587 0.000 0.815 896 A HN 0.703 nan 8.150 nan 0.000 0.449 897 S N 0.281 115.729 115.700 -0.420 0.000 2.447 897 S HA -0.129 4.341 4.470 0.000 0.000 0.233 897 S C 1.848 176.344 174.600 -0.173 0.000 1.006 897 S CA 1.575 59.635 58.200 -0.234 0.000 0.957 897 S CB -0.747 62.359 63.200 -0.156 0.000 0.773 897 S HN 0.929 nan 8.310 nan 0.000 0.507 898 S N 0.368 115.947 115.700 -0.202 0.000 2.527 898 S HA 0.276 4.746 4.470 0.000 0.000 0.222 898 S C 0.447 175.106 174.600 0.099 0.000 0.985 898 S CA -0.729 57.437 58.200 -0.055 0.000 0.921 898 S CB -0.922 62.252 63.200 -0.044 0.000 0.772 898 S HN 0.541 nan 8.310 nan 0.000 0.529 899 F N 3.691 123.620 119.950 -0.034 0.000 2.607 899 F HA 0.243 4.770 4.527 0.000 0.000 0.374 899 F C 1.294 177.092 175.800 -0.005 0.000 1.104 899 F CA -0.432 57.555 58.000 -0.022 0.000 1.296 899 F CB 0.444 39.426 39.000 -0.030 0.000 1.085 899 F HN 0.332 nan 8.300 nan 0.000 0.584 900 R N 0.351 120.975 120.500 0.207 0.000 2.728 900 R HA 0.586 4.926 4.340 0.000 0.000 0.274 900 R C -2.175 174.183 176.300 0.097 0.000 1.030 900 R CA -1.125 55.049 56.100 0.122 0.000 0.876 900 R CB 0.989 31.324 30.300 0.059 0.000 1.259 900 R HN 0.257 nan 8.270 nan 0.000 0.468 901 V N 2.099 122.024 119.914 0.019 0.000 2.555 901 V HA 0.161 4.281 4.120 0.000 0.000 0.286 901 V C 0.419 176.384 176.094 -0.216 0.000 1.044 901 V CA -0.107 62.087 62.300 -0.177 0.000 1.026 901 V CB 1.294 32.993 31.823 -0.206 0.000 0.981 901 V HN 0.796 nan 8.190 nan 0.000 0.480 902 S N 4.063 119.513 115.700 -0.416 0.000 2.634 902 S HA 0.498 4.968 4.470 0.000 0.000 0.261 902 S C 0.340 174.682 174.600 -0.430 0.000 1.271 902 S CA -0.416 57.428 58.200 -0.595 0.000 0.985 902 S CB -0.058 62.396 63.200 -1.244 0.000 0.968 902 S HN 0.701 nan 8.310 nan 0.000 0.568 903 F N 0.039 119.974 119.950 -0.026 0.000 3.090 903 F HA -0.220 4.307 4.527 0.000 0.000 0.282 903 F C 1.399 177.198 175.800 -0.000 0.000 0.923 903 F CA 0.273 58.262 58.000 -0.020 0.000 0.977 903 F CB -2.376 36.603 39.000 -0.035 0.000 0.954 903 F HN 0.996 nan 8.300 nan 0.000 0.695 904 G N -0.527 108.339 108.800 0.110 0.000 2.258 904 G HA2 0.090 4.050 3.960 0.000 0.000 0.274 904 G HA3 0.090 4.050 3.960 0.000 0.000 0.274 904 G C 1.190 176.141 174.900 0.084 0.000 1.021 904 G CA 0.989 46.135 45.100 0.076 0.000 0.798 904 G HN 2.164 nan 8.290 nan 0.000 0.507 905 G N -2.528 106.329 108.800 0.095 0.000 2.175 905 G HA2 -0.186 3.774 3.960 0.000 0.000 0.244 905 G HA3 -0.186 3.774 3.960 0.000 0.000 0.244 905 G C 0.189 175.283 174.900 0.324 0.000 0.982 905 G CA 0.793 45.969 45.100 0.128 0.000 0.641 905 G HN 1.001 nan 8.290 nan 0.000 0.527 906 Q N 0.985 120.964 119.800 0.298 0.000 2.230 906 Q HA 0.466 4.807 4.340 0.000 0.000 0.253 906 Q C -2.143 173.974 176.000 0.195 0.000 0.919 906 Q CA -1.825 54.119 55.803 0.236 0.000 0.908 906 Q CB 2.099 30.898 28.738 0.102 0.000 1.245 906 Q HN 0.353 nan 8.270 nan 0.000 0.437 907 P HA 0.007 nan 4.420 nan 0.000 0.274 907 P C 0.619 177.782 177.300 -0.228 0.000 1.237 907 P CA -0.372 62.329 63.100 -0.665 0.000 0.793 907 P CB 0.951 31.793 31.700 -1.430 0.000 0.977 908 L N 1.998 123.167 121.223 -0.090 0.000 2.083 908 L HA 0.049 4.390 4.340 0.000 0.000 0.209 908 L C 0.466 177.303 176.870 -0.053 0.000 1.083 908 L CA 1.741 56.556 54.840 -0.043 0.000 0.752 908 L CB -0.771 41.379 42.059 0.153 0.000 0.899 908 L HN 0.482 nan 8.230 nan 0.000 0.433 909 Y N -1.899 118.224 120.300 -0.294 0.000 2.624 909 Y HA 0.485 5.035 4.550 0.000 0.000 0.334 909 Y C -1.109 174.584 175.900 -0.345 0.000 1.155 909 Y CA -1.099 56.846 58.100 -0.257 0.000 1.046 909 Y CB 1.314 39.705 38.460 -0.116 0.000 1.316 909 Y HN -0.218 nan 8.280 nan 0.000 0.457 910 S N 3.055 118.293 115.700 -0.770 0.000 2.707 910 S HA 0.738 5.208 4.470 0.000 0.000 0.312 910 S C -0.873 173.400 174.600 -0.546 0.000 1.116 910 S CA -0.501 57.387 58.200 -0.521 0.000 1.078 910 S CB 1.100 64.042 63.200 -0.430 0.000 0.997 910 S HN 0.808 nan 8.310 nan 0.000 0.477 911 A N 3.132 125.847 122.820 -0.175 0.000 2.404 911 A HA 0.626 4.946 4.320 0.000 0.000 0.273 911 A C 0.233 177.806 177.584 -0.018 0.000 1.144 911 A CA -0.474 51.524 52.037 -0.065 0.000 0.806 911 A CB -0.180 18.877 19.000 0.094 0.000 1.080 911 A HN 1.052 nan 8.150 nan 0.000 0.509 912 V N 1.144 121.060 119.914 0.004 0.000 2.876 912 V HA 0.696 4.816 4.120 0.000 0.000 0.312 912 V C -0.404 175.742 176.094 0.086 0.000 1.085 912 V CA -0.968 61.344 62.300 0.021 0.000 0.945 912 V CB 1.688 33.482 31.823 -0.047 0.000 1.017 912 V HN 0.914 nan 8.190 nan 0.000 0.428 913 D N 2.119 122.560 120.400 0.069 0.000 2.393 913 D HA 0.143 4.783 4.640 0.000 0.000 0.246 913 D C 1.393 177.703 176.300 0.017 0.000 1.275 913 D CA 0.388 54.424 54.000 0.060 0.000 0.979 913 D CB 0.681 41.509 40.800 0.046 0.000 1.101 913 D HN 0.581 nan 8.370 nan 0.000 0.505 914 S N -1.425 114.279 115.700 0.007 0.000 2.469 914 S HA -0.108 4.362 4.470 0.000 0.000 0.238 914 S C 1.573 176.172 174.600 -0.002 0.000 0.998 914 S CA 0.917 59.115 58.200 -0.004 0.000 0.957 914 S CB -0.719 62.490 63.200 0.015 0.000 0.764 914 S HN 0.589 nan 8.310 nan 0.000 0.514 915 A N -0.632 122.190 122.820 0.002 0.000 2.345 915 A HA 0.570 4.890 4.320 0.000 0.000 0.225 915 A C 1.494 179.075 177.584 -0.005 0.000 1.243 915 A CA 0.623 52.660 52.037 -0.000 0.000 0.875 915 A CB -0.606 18.395 19.000 0.003 0.000 0.929 915 A HN 1.145 nan 8.150 nan 0.000 0.502 916 G N -1.749 107.046 108.800 -0.009 0.000 2.176 916 G HA2 0.086 4.046 3.960 0.000 0.000 0.253 916 G HA3 0.086 4.046 3.960 0.000 0.000 0.253 916 G C 0.393 175.285 174.900 -0.013 0.000 0.979 916 G CA 0.220 45.309 45.100 -0.018 0.000 0.641 916 G HN 1.603 nan 8.290 nan 0.000 0.530 917 A N 0.194 123.015 122.820 0.000 0.000 2.309 917 A HA 0.913 5.233 4.320 0.000 0.000 0.298 917 A C 0.902 178.496 177.584 0.015 0.000 1.165 917 A CA 0.794 52.834 52.037 0.006 0.000 0.821 917 A CB 0.759 19.765 19.000 0.011 0.000 1.102 917 A HN 2.090 nan 8.150 nan 0.000 0.500 918 A N 2.306 125.133 122.820 0.013 0.000 2.540 918 A HA 0.388 4.708 4.320 0.000 0.000 0.239 918 A C 0.248 177.862 177.584 0.051 0.000 1.061 918 A CA 0.360 52.410 52.037 0.022 0.000 0.758 918 A CB -0.180 18.832 19.000 0.020 0.000 0.991 918 A HN 0.808 nan 8.150 nan 0.000 0.502 919 Q N 1.280 121.128 119.800 0.080 0.000 2.357 919 Q HA 0.515 4.855 4.340 0.000 0.000 0.266 919 Q C 0.016 176.097 176.000 0.135 0.000 1.021 919 Q CA -0.481 55.394 55.803 0.120 0.000 0.784 919 Q CB 1.843 30.694 28.738 0.189 0.000 1.243 919 Q HN 0.934 nan 8.270 nan 0.000 0.465 920 A N 3.665 126.552 122.820 0.112 0.000 2.520 920 A HA 0.232 4.552 4.320 0.000 0.000 0.235 920 A C -0.202 177.486 177.584 0.173 0.000 1.065 920 A CA 0.226 52.337 52.037 0.123 0.000 0.764 920 A CB 0.143 19.194 19.000 0.086 0.000 1.002 920 A HN 0.775 nan 8.150 nan 0.000 0.502 921 I N 2.240 122.927 120.570 0.195 0.000 2.382 921 I HA 0.240 4.410 4.170 0.000 0.000 0.286 921 I C 0.633 176.907 176.117 0.261 0.000 1.002 921 I CA -0.218 61.228 61.300 0.243 0.000 1.135 921 I CB 1.980 40.116 38.000 0.227 0.000 1.288 921 I HN 0.769 nan 8.210 nan 0.000 0.448 922 T N 3.751 118.468 114.554 0.272 0.000 3.056 922 T HA 0.237 4.587 4.350 0.000 0.000 0.241 922 T C 0.877 175.778 174.700 0.334 0.000 1.006 922 T CA 0.098 62.401 62.100 0.338 0.000 1.115 922 T CB 0.395 69.458 68.868 0.325 0.000 0.939 922 T HN 0.616 nan 8.240 nan 0.000 0.462 923 A N 1.430 124.423 122.820 0.288 0.000 2.332 923 A HA 0.766 5.086 4.320 0.000 0.000 0.258 923 A C 0.506 178.240 177.584 0.251 0.000 1.087 923 A CA -0.442 51.754 52.037 0.265 0.000 0.802 923 A CB -0.022 19.120 19.000 0.238 0.000 1.042 923 A HN 0.493 nan 8.150 nan 0.000 0.489 924 A N 2.060 125.012 122.820 0.220 0.000 2.386 924 A HA 0.599 4.919 4.320 0.000 0.000 0.248 924 A C -2.321 175.390 177.584 0.213 0.000 1.082 924 A CA -1.118 51.041 52.037 0.203 0.000 0.789 924 A CB -0.520 18.581 19.000 0.168 0.000 1.025 924 A HN 0.624 nan 8.150 nan 0.000 0.490 925 P HA 0.394 nan 4.420 nan 0.000 0.277 925 P C -0.524 176.868 177.300 0.153 0.000 1.271 925 P CA -0.292 62.936 63.100 0.213 0.000 0.795 925 P CB 0.849 32.649 31.700 0.167 0.000 1.101 926 S N -0.364 115.415 115.700 0.131 0.000 2.536 926 S HA 0.579 5.049 4.470 0.000 0.000 0.287 926 S C -0.824 173.812 174.600 0.061 0.000 1.101 926 S CA -0.582 57.679 58.200 0.101 0.000 0.950 926 S CB 0.519 63.794 63.200 0.126 0.000 1.056 926 S HN 0.182 nan 8.310 nan 0.000 0.481 927 L N 2.313 123.564 121.223 0.047 0.000 2.329 927 L HA 0.810 5.150 4.340 0.000 0.000 0.279 927 L C -1.035 175.954 176.870 0.199 0.000 1.014 927 L CA -0.939 53.940 54.840 0.066 0.000 0.814 927 L CB 1.607 43.628 42.059 -0.064 0.000 1.257 927 L HN 0.299 nan 8.230 nan 0.000 0.424 928 V N 2.423 122.506 119.914 0.281 0.000 2.623 928 V HA 0.350 4.471 4.120 0.000 0.000 0.304 928 V C 0.019 176.239 176.094 0.210 0.000 1.054 928 V CA -0.724 61.720 62.300 0.240 0.000 0.882 928 V CB 1.984 33.875 31.823 0.113 0.000 1.002 928 V HN 0.731 nan 8.190 nan 0.000 0.424 929 R N 3.278 123.791 120.500 0.021 0.000 2.585 929 R HA 0.027 4.368 4.340 0.000 0.000 0.275 929 R C 0.253 176.428 176.300 -0.208 0.000 1.018 929 R CA -0.179 55.625 56.100 -0.492 0.000 1.072 929 R CB 0.244 30.314 30.300 -0.383 0.000 0.953 929 R HN 0.894 nan 8.270 nan 0.000 0.419 930 H N 5.583 124.421 119.070 -0.386 0.000 2.897 930 H HA 0.023 4.580 4.556 0.000 0.000 0.347 930 H C -1.734 173.303 175.328 -0.484 0.000 1.068 930 H CA -1.320 54.439 56.048 -0.482 0.000 1.426 930 H CB 1.478 30.859 29.762 -0.635 0.000 1.410 930 H HN 0.500 nan 8.280 nan 0.000 0.597 931 P HA -0.119 nan 4.420 nan 0.000 0.218 931 P C 1.084 178.175 177.300 -0.347 0.000 1.146 931 P CA 1.603 64.259 63.100 -0.741 0.000 0.813 931 P CB 0.201 31.362 31.700 -0.899 0.000 0.778 932 T N -1.732 112.750 114.554 -0.119 0.000 3.085 932 T HA 0.059 4.409 4.350 0.000 0.000 0.263 932 T C 0.981 175.679 174.700 -0.002 0.000 1.127 932 T CA 0.217 62.317 62.100 -0.001 0.000 1.103 932 T CB -0.361 68.550 68.868 0.073 0.000 0.921 932 T HN 0.120 nan 8.240 nan 0.000 0.510 933 R N -0.494 119.983 120.500 -0.039 0.000 3.884 933 R HA -0.151 4.189 4.340 0.000 0.000 0.464 933 R C 0.299 176.605 176.300 0.011 0.000 0.963 933 R CA 1.199 57.272 56.100 -0.045 0.000 1.408 933 R CB -1.230 29.056 30.300 -0.024 0.000 2.054 933 R HN 0.340 nan 8.270 nan 0.000 0.522 934 K N 1.001 121.446 120.400 0.074 0.000 2.253 934 K HA 0.413 4.733 4.320 0.000 0.000 0.277 934 K C 0.482 177.228 176.600 0.244 0.000 1.053 934 K CA 0.695 57.060 56.287 0.131 0.000 0.892 934 K CB 1.181 33.758 32.500 0.128 0.000 1.102 934 K HN 0.324 nan 8.250 nan 0.000 0.469 935 G N 2.392 111.326 108.800 0.223 0.000 2.741 935 G HA2 -0.253 3.707 3.960 0.000 0.000 0.222 935 G HA3 -0.253 3.707 3.960 0.000 0.000 0.222 935 G C -1.537 173.534 174.900 0.286 0.000 1.364 935 G CA -0.435 44.873 45.100 0.348 0.000 0.866 935 G HN 0.512 nan 8.290 nan 0.000 0.555 936 Y N -1.337 119.164 120.300 0.334 0.000 2.545 936 Y HA 0.666 5.216 4.550 -0.000 0.000 0.348 936 Y C 0.738 176.789 175.900 0.252 0.000 1.002 936 Y CA -0.908 57.333 58.100 0.234 0.000 1.039 936 Y CB 1.823 40.359 38.460 0.126 0.000 1.271 936 Y HN 0.585 nan 8.280 nan 0.000 0.467 937 I N 3.226 123.965 120.570 0.282 0.000 2.312 937 I HA 0.235 4.405 4.170 0.000 0.000 0.291 937 I C -0.804 175.403 176.117 0.149 0.000 1.031 937 I CA -0.681 60.743 61.300 0.206 0.000 1.293 937 I CB 0.642 38.743 38.000 0.168 0.000 1.403 937 I HN 0.199 nan 8.210 nan 0.000 0.484 938 V N 8.258 128.234 119.914 0.102 0.000 2.353 938 V HA 0.296 4.416 4.120 0.000 0.000 0.264 938 V C 0.346 176.510 176.094 0.117 0.000 1.049 938 V CA -0.252 62.068 62.300 0.033 0.000 0.896 938 V CB 0.564 32.379 31.823 -0.014 0.000 1.025 938 V HN 0.469 nan 8.190 nan 0.000 0.475 939 I N 7.018 127.646 120.570 0.096 0.000 2.331 939 I HA 0.567 4.737 4.170 0.000 0.000 0.292 939 I C -0.422 175.818 176.117 0.206 0.000 0.998 939 I CA -0.235 61.077 61.300 0.021 0.000 1.267 939 I CB 0.838 38.899 38.000 0.101 0.000 1.386 939 I HN 0.634 nan 8.210 nan 0.000 0.476 940 F N 3.474 123.440 119.950 0.026 0.000 2.619 940 F HA 0.874 5.401 4.527 0.000 0.000 0.308 940 F C -0.155 175.755 175.800 0.184 0.000 1.097 940 F CA -1.043 57.024 58.000 0.112 0.000 0.953 940 F CB 0.905 39.968 39.000 0.104 0.000 1.287 940 F HN 0.384 nan 8.300 nan 0.000 0.446 941 G N 0.257 109.264 108.800 0.345 0.000 2.441 941 G HA2 0.564 4.524 3.960 0.000 0.000 0.334 941 G HA3 0.564 4.524 3.960 0.000 0.000 0.334 941 G C -1.458 173.675 174.900 0.389 0.000 1.161 941 G CA -0.893 44.407 45.100 0.334 0.000 0.935 941 G HN 0.783 nan 8.290 nan 0.000 0.488 942 T N -0.749 114.031 114.554 0.375 0.000 2.895 942 T HA 0.781 5.131 4.350 0.000 0.000 0.283 942 T C 0.282 175.113 174.700 0.218 0.000 1.014 942 T CA 0.778 63.071 62.100 0.321 0.000 1.037 942 T CB 1.301 70.376 68.868 0.344 0.000 1.006 942 T HN 1.683 nan 8.240 nan 0.000 0.468 943 G N 2.003 110.896 108.800 0.155 0.000 2.347 943 G HA2 0.429 4.389 3.960 0.000 0.000 0.321 943 G HA3 0.429 4.389 3.960 0.000 0.000 0.321 943 G C -1.907 173.018 174.900 0.042 0.000 1.412 943 G CA -0.687 44.449 45.100 0.059 0.000 0.990 943 G HN 0.829 nan 8.290 nan 0.000 0.637 944 K N -1.038 119.339 120.400 -0.038 0.000 2.562 944 K HA 0.671 4.991 4.320 0.000 0.000 0.267 944 K C -1.553 174.971 176.600 -0.126 0.000 0.938 944 K CA -1.192 55.074 56.287 -0.035 0.000 0.840 944 K CB 1.855 34.339 32.500 -0.026 0.000 1.390 944 K HN 0.981 nan 8.250 nan 0.000 0.428 945 Y N 2.601 122.658 120.300 -0.405 0.000 2.892 945 Y HA 0.169 4.719 4.550 -0.000 0.000 0.242 945 Y C -0.323 175.350 175.900 -0.380 0.000 1.080 945 Y CA -0.817 56.942 58.100 -0.569 0.000 1.147 945 Y CB 0.490 38.492 38.460 -0.763 0.000 1.229 945 Y HN 0.677 nan 8.280 nan 0.000 0.633 946 F N -1.130 118.672 119.950 -0.246 0.000 2.714 946 F HA 0.459 4.987 4.527 0.000 0.000 0.294 946 F C 0.169 175.849 175.800 -0.200 0.000 1.120 946 F CA -0.228 57.521 58.000 -0.419 0.000 1.398 946 F CB -0.005 38.335 39.000 -1.100 0.000 1.120 946 F HN -0.152 nan 8.300 nan 0.000 0.589 947 E N 0.947 120.780 120.200 -0.611 0.000 2.214 947 E HA 0.188 4.538 4.350 0.000 0.000 0.274 947 E C 0.050 176.621 176.600 -0.049 0.000 0.977 947 E CA -0.505 55.694 56.400 -0.336 0.000 0.827 947 E CB 1.179 30.557 29.700 -0.536 0.000 1.130 947 E HN 0.117 nan 8.360 nan 0.000 0.394 948 N N 1.503 120.226 118.700 0.039 0.000 2.137 948 N HA -0.240 4.500 4.740 0.000 0.000 0.190 948 N C 1.519 177.056 175.510 0.045 0.000 1.017 948 N CA 1.597 54.721 53.050 0.125 0.000 0.859 948 N CB -0.164 38.351 38.487 0.046 0.000 1.002 948 N HN 0.516 nan 8.380 nan 0.000 0.428 949 A N 0.768 123.566 122.820 -0.036 0.000 2.070 949 A HA -0.136 4.184 4.320 0.000 0.000 0.220 949 A C 1.371 178.903 177.584 -0.088 0.000 1.159 949 A CA 1.349 53.353 52.037 -0.055 0.000 0.656 949 A CB -0.269 18.690 19.000 -0.067 0.000 0.800 949 A HN 0.166 nan 8.150 nan 0.000 0.453 950 D N 0.290 120.599 120.400 -0.151 0.000 2.310 950 D HA -0.004 4.636 4.640 0.000 0.000 0.212 950 D C 2.003 178.248 176.300 -0.092 0.000 0.965 950 D CA 1.064 54.972 54.000 -0.153 0.000 0.879 950 D CB -0.239 40.444 40.800 -0.195 0.000 0.921 950 D HN 0.478 nan 8.370 nan 0.000 0.510 951 A N 0.796 123.501 122.820 -0.193 0.000 2.070 951 A HA -0.130 4.190 4.320 0.000 0.000 0.220 951 A C 1.432 179.035 177.584 0.031 0.000 1.159 951 A CA 0.814 52.812 52.037 -0.064 0.000 0.656 951 A CB -0.020 19.003 19.000 0.038 0.000 0.800 951 A HN -0.021 nan 8.150 nan 0.000 0.453 952 R N 0.027 120.521 120.500 -0.010 0.000 2.357 952 R HA 0.511 4.851 4.340 0.000 0.000 0.296 952 R C -0.033 176.244 176.300 -0.038 0.000 1.052 952 R CA 0.245 56.337 56.100 -0.013 0.000 0.988 952 R CB 0.894 31.185 30.300 -0.014 0.000 1.025 952 R HN 0.272 nan 8.270 nan 0.000 0.469 953 A N 2.324 125.122 122.820 -0.036 0.000 2.450 953 A HA 0.013 4.333 4.320 0.000 0.000 0.255 953 A C -0.021 177.537 177.584 -0.043 0.000 1.096 953 A CA -0.183 51.822 52.037 -0.054 0.000 0.778 953 A CB 0.111 19.087 19.000 -0.039 0.000 1.031 953 A HN 0.574 nan 8.150 nan 0.000 0.494 954 D N 2.522 122.891 120.400 -0.051 0.000 2.479 954 D HA 0.218 4.858 4.640 0.000 0.000 0.218 954 D C 1.192 177.478 176.300 -0.023 0.000 1.131 954 D CA 0.276 54.255 54.000 -0.035 0.000 0.916 954 D CB 0.380 41.157 40.800 -0.039 0.000 1.022 954 D HN 0.465 nan 8.370 nan 0.000 0.515 955 T N -0.572 113.972 114.554 -0.017 0.000 3.219 955 T HA -0.018 4.332 4.350 0.000 0.000 0.249 955 T C 1.543 176.240 174.700 -0.005 0.000 1.099 955 T CA 0.317 62.411 62.100 -0.010 0.000 0.988 955 T CB -0.175 68.688 68.868 -0.008 0.000 0.999 955 T HN 0.201 nan 8.240 nan 0.000 0.550 956 S N 0.982 116.679 115.700 -0.005 0.000 2.446 956 S HA 0.179 4.649 4.470 0.000 0.000 0.225 956 S C 0.751 175.352 174.600 0.002 0.000 1.016 956 S CA -0.618 57.581 58.200 -0.002 0.000 0.943 956 S CB -0.126 63.072 63.200 -0.002 0.000 0.786 956 S HN 0.762 nan 8.310 nan 0.000 0.508 957 R N -0.035 120.467 120.500 0.004 0.000 2.781 957 R HA 0.831 5.171 4.340 0.000 0.000 0.269 957 R C -1.430 174.880 176.300 0.017 0.000 1.025 957 R CA -0.639 55.467 56.100 0.011 0.000 0.914 957 R CB 1.015 31.325 30.300 0.016 0.000 1.236 957 R HN 0.107 nan 8.270 nan 0.000 0.465 958 A N 1.256 124.090 122.820 0.023 0.000 2.292 958 A HA 0.455 4.775 4.320 0.000 0.000 0.319 958 A C -0.593 177.024 177.584 0.055 0.000 1.206 958 A CA -0.739 51.318 52.037 0.033 0.000 0.835 958 A CB 0.809 19.816 19.000 0.012 0.000 1.164 958 A HN 0.497 nan 8.150 nan 0.000 0.505 959 Q N 0.505 120.371 119.800 0.110 0.000 2.396 959 Q HA 0.565 4.905 4.340 0.000 0.000 0.221 959 Q C -0.235 175.827 176.000 0.103 0.000 1.025 959 Q CA 0.294 56.198 55.803 0.168 0.000 0.946 959 Q CB 1.026 29.908 28.738 0.240 0.000 1.224 959 Q HN 0.771 nan 8.270 nan 0.000 0.539 960 T N 0.341 114.912 114.554 0.027 0.000 2.883 960 T HA 0.532 4.882 4.350 0.000 0.000 0.301 960 T C -1.193 173.196 174.700 -0.517 0.000 1.158 960 T CA -0.674 61.162 62.100 -0.439 0.000 1.007 960 T CB 1.410 69.919 68.868 -0.598 0.000 1.186 960 T HN 0.357 nan 8.240 nan 0.000 0.499 961 L N 2.127 122.830 121.223 -0.867 0.000 2.333 961 L HA 0.703 5.044 4.340 0.000 0.000 0.280 961 L C -1.882 174.587 176.870 -0.668 0.000 1.004 961 L CA -0.512 54.015 54.840 -0.522 0.000 0.820 961 L CB 0.605 42.423 42.059 -0.402 0.000 1.247 961 L HN 0.662 nan 8.230 nan 0.000 0.416 962 Y N 2.452 122.311 120.300 -0.734 0.000 2.524 962 Y HA 0.749 5.299 4.550 0.000 0.000 0.344 962 Y C 0.631 175.591 175.900 -1.567 0.000 1.012 962 Y CA -0.820 56.591 58.100 -1.148 0.000 1.068 962 Y CB 2.473 40.055 38.460 -1.463 0.000 1.249 962 Y HN 0.659 nan 8.280 nan 0.000 0.468 963 G N 3.486 111.213 108.800 -1.789 0.000 2.814 963 G HA2 0.593 4.553 3.960 0.000 0.000 0.300 963 G HA3 0.593 4.553 3.960 0.000 0.000 0.300 963 G C -1.381 173.051 174.900 -0.779 0.000 1.406 963 G CA -0.383 43.722 45.100 -1.657 0.000 1.041 963 G HN 0.333 nan 8.290 nan 0.000 0.532 964 I N 2.009 122.399 120.570 -0.301 0.000 2.404 964 I HA 0.323 4.493 4.170 0.000 0.000 0.293 964 I C -0.666 175.590 176.117 0.231 0.000 0.992 964 I CA -1.618 59.666 61.300 -0.028 0.000 1.149 964 I CB 1.754 39.744 38.000 -0.016 0.000 1.315 964 I HN 0.465 nan 8.210 nan 0.000 0.446 965 W N 6.736 128.113 121.300 0.127 0.000 2.485 965 W HA 0.177 4.838 4.660 0.000 0.000 0.315 965 W C -0.002 176.557 176.519 0.066 0.000 1.304 965 W CA -0.488 56.933 57.345 0.128 0.000 1.345 965 W CB 0.186 29.757 29.460 0.185 0.000 1.368 965 W HN 0.423 nan 8.180 nan 0.000 0.497 966 D N 4.578 125.188 120.400 0.350 0.000 2.412 966 D HA 0.108 4.748 4.640 0.000 0.000 0.224 966 D C 0.475 176.771 176.300 -0.008 0.000 1.093 966 D CA -0.014 54.068 54.000 0.137 0.000 0.850 966 D CB 0.920 41.907 40.800 0.312 0.000 1.046 966 D HN 0.553 nan 8.370 nan 0.000 0.507 967 Q N 2.203 121.780 119.800 -0.370 0.000 2.360 967 Q HA 0.072 4.412 4.340 0.000 0.000 0.202 967 Q C 0.015 175.931 176.000 -0.139 0.000 0.915 967 Q CA 0.291 55.817 55.803 -0.462 0.000 0.943 967 Q CB 0.577 28.792 28.738 -0.871 0.000 1.064 967 Q HN 0.494 nan 8.270 nan 0.000 0.511 968 Q N 0.842 120.637 119.800 -0.008 0.000 2.773 968 Q HA 0.107 4.447 4.340 0.000 0.000 0.373 968 Q C -0.036 176.047 176.000 0.138 0.000 0.940 968 Q CA -0.104 55.749 55.803 0.083 0.000 1.015 968 Q CB 0.852 29.666 28.738 0.128 0.000 1.349 968 Q HN 0.166 nan 8.270 nan 0.000 0.413 969 T N -3.313 111.362 114.554 0.201 0.000 3.215 969 T HA 0.249 4.600 4.350 0.000 0.000 0.271 969 T C 0.590 175.646 174.700 0.594 0.000 1.012 969 T CA -0.433 61.833 62.100 0.277 0.000 0.899 969 T CB 0.120 69.209 68.868 0.368 0.000 1.089 969 T HN 0.098 nan 8.240 nan 0.000 0.552 970 K N 0.902 121.571 120.400 0.449 0.000 3.045 970 K HA 0.481 4.801 4.320 0.000 0.000 0.211 970 K C 1.241 177.861 176.600 0.034 0.000 1.141 970 K CA 0.084 56.589 56.287 0.364 0.000 1.036 970 K CB -0.464 32.160 32.500 0.207 0.000 0.851 970 K HN 0.388 nan 8.250 nan 0.000 0.462 971 G N 1.002 109.916 108.800 0.191 0.000 2.162 971 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 971 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 971 G C -0.336 174.582 174.900 0.030 0.000 0.976 971 G CA 0.371 45.453 45.100 -0.031 0.000 0.655 971 G HN 0.483 nan 8.290 nan 0.000 0.533 972 E N -0.060 120.193 120.200 0.089 0.000 2.418 972 E HA 0.555 4.905 4.350 0.000 0.000 0.261 972 E C 1.679 178.323 176.600 0.074 0.000 1.070 972 E CA 0.476 56.912 56.400 0.060 0.000 0.931 972 E CB 0.361 30.101 29.700 0.067 0.000 0.954 972 E HN 0.605 nan 8.360 nan 0.000 0.439 973 A N 3.435 126.282 122.820 0.045 0.000 1.917 973 A HA -0.045 4.275 4.320 0.000 0.000 0.219 973 A C 1.422 179.049 177.584 0.071 0.000 1.182 973 A CA 1.456 53.519 52.037 0.043 0.000 0.633 973 A CB -1.010 18.006 19.000 0.027 0.000 0.819 973 A HN 1.180 nan 8.150 nan 0.000 0.448 974 A N -2.122 120.756 122.820 0.096 0.000 2.466 974 A HA -0.010 4.310 4.320 0.000 0.000 0.295 974 A C 1.478 179.173 177.584 0.184 0.000 1.465 974 A CA 1.258 53.398 52.037 0.172 0.000 0.744 974 A CB -1.969 17.185 19.000 0.257 0.000 1.098 974 A HN 1.726 nan 8.150 nan 0.000 0.402 975 G N -0.618 108.250 108.800 0.113 0.000 2.679 975 G HA2 0.351 4.311 3.960 0.000 0.000 0.212 975 G HA3 0.351 4.311 3.960 0.000 0.000 0.212 975 G C 0.666 175.640 174.900 0.124 0.000 1.137 975 G CA 1.586 46.743 45.100 0.095 0.000 0.787 975 G HN 2.227 nan 8.290 nan 0.000 0.534 976 S N -2.306 113.482 115.700 0.145 0.000 2.656 976 S HA 0.725 5.195 4.470 0.000 0.000 0.273 976 S C -1.122 173.459 174.600 -0.031 0.000 1.168 976 S CA -0.312 57.939 58.200 0.086 0.000 0.817 976 S CB 2.304 65.511 63.200 0.012 0.000 1.146 976 S HN 0.230 nan 8.310 nan 0.000 0.475 977 T N 0.943 115.368 114.554 -0.215 0.000 2.932 977 T HA 0.676 5.027 4.350 0.000 0.000 0.318 977 T C -3.137 171.385 174.700 -0.296 0.000 1.265 977 T CA -0.957 60.858 62.100 -0.475 0.000 1.036 977 T CB 1.051 69.196 68.868 -1.204 0.000 1.209 977 T HN 0.603 nan 8.240 nan 0.000 0.484 978 P HA 0.238 nan 4.420 nan 0.000 0.264 978 P C -0.785 176.431 177.300 -0.141 0.000 1.193 978 P CA -0.190 62.813 63.100 -0.160 0.000 0.763 978 P CB 0.292 31.910 31.700 -0.136 0.000 0.810 979 R N 3.288 123.722 120.500 -0.110 0.000 2.248 979 R HA 0.302 4.643 4.340 0.000 0.000 0.328 979 R C -0.940 175.309 176.300 -0.084 0.000 1.067 979 R CA -0.308 55.723 56.100 -0.116 0.000 0.924 979 R CB -0.000 30.238 30.300 -0.104 0.000 1.013 979 R HN 0.288 nan 8.270 nan 0.000 0.454 980 L N 2.990 124.160 121.223 -0.088 0.000 2.319 980 L HA 0.587 4.927 4.340 0.000 0.000 0.267 980 L C 0.283 177.093 176.870 -0.101 0.000 1.011 980 L CA -0.415 54.427 54.840 0.003 0.000 0.818 980 L CB 1.977 44.163 42.059 0.212 0.000 1.316 980 L HN 0.902 nan 8.230 nan 0.000 0.432 981 T N -2.766 111.804 114.554 0.027 0.000 2.812 981 T HA 0.473 4.823 4.350 0.000 0.000 0.294 981 T C 0.902 175.665 174.700 0.106 0.000 1.159 981 T CA -0.791 61.296 62.100 -0.021 0.000 1.008 981 T CB 1.311 70.140 68.868 -0.066 0.000 1.289 981 T HN 0.470 nan 8.240 nan 0.000 0.514 982 R N -0.031 120.481 120.500 0.019 0.000 2.170 982 R HA -0.027 4.313 4.340 0.000 0.000 0.242 982 R C 2.498 178.828 176.300 0.051 0.000 1.145 982 R CA 1.592 57.633 56.100 -0.099 0.000 0.984 982 R CB -0.961 29.099 30.300 -0.400 0.000 0.869 982 R HN 0.848 nan 8.270 nan 0.000 0.455 983 G N 0.998 109.823 108.800 0.042 0.000 2.462 983 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 983 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 983 G C 0.865 175.813 174.900 0.081 0.000 1.121 983 G CA 0.870 46.007 45.100 0.062 0.000 0.758 983 G HN 0.391 nan 8.290 nan 0.000 0.559 984 N N -0.571 118.186 118.700 0.095 0.000 2.336 984 N HA 0.258 4.998 4.740 0.000 0.000 0.189 984 N C 0.158 175.741 175.510 0.121 0.000 1.113 984 N CA -0.029 53.081 53.050 0.101 0.000 0.858 984 N CB 0.381 38.932 38.487 0.106 0.000 0.970 984 N HN 0.250 nan 8.380 nan 0.000 0.471 985 L N 0.043 121.363 121.223 0.163 0.000 2.322 985 L HA 0.447 4.788 4.340 0.000 0.000 0.269 985 L C -0.039 176.945 176.870 0.191 0.000 1.012 985 L CA -1.222 53.734 54.840 0.194 0.000 0.815 985 L CB 1.271 43.517 42.059 0.311 0.000 1.295 985 L HN -0.066 nan 8.230 nan 0.000 0.438 986 Q N 1.985 121.831 119.800 0.076 0.000 2.294 986 Q HA 0.179 4.519 4.340 0.000 0.000 0.257 986 Q C -0.636 175.253 176.000 -0.185 0.000 0.955 986 Q CA 0.004 55.781 55.803 -0.044 0.000 0.936 986 Q CB 1.219 29.881 28.738 -0.128 0.000 1.188 986 Q HN 0.480 nan 8.270 nan 0.000 0.420 987 Q N 2.746 122.335 119.800 -0.353 0.000 2.340 987 Q HA 0.204 4.544 4.340 0.000 0.000 0.249 987 Q C -0.881 174.815 176.000 -0.506 0.000 0.957 987 Q CA -0.286 55.033 55.803 -0.806 0.000 0.882 987 Q CB 0.727 29.098 28.738 -0.611 0.000 1.235 987 Q HN 0.581 nan 8.270 nan 0.000 0.439 988 Q N 1.415 120.882 119.800 -0.554 0.000 2.423 988 Q HA 0.511 4.851 4.340 0.000 0.000 0.278 988 Q C -1.130 174.661 176.000 -0.347 0.000 1.097 988 Q CA -0.530 55.042 55.803 -0.385 0.000 0.809 988 Q CB 2.405 30.903 28.738 -0.399 0.000 1.391 988 Q HN 0.906 nan 8.270 nan 0.000 0.428 989 T N -2.241 112.156 114.554 -0.261 0.000 2.883 989 T HA 0.662 5.012 4.350 0.000 0.000 0.301 989 T C -0.494 174.095 174.700 -0.185 0.000 1.158 989 T CA -0.807 61.167 62.100 -0.211 0.000 1.007 989 T CB 0.765 69.541 68.868 -0.152 0.000 1.186 989 T HN 0.380 nan 8.240 nan 0.000 0.499 990 L N 2.574 123.699 121.223 -0.162 0.000 2.268 990 L HA 0.351 4.691 4.340 0.000 0.000 0.289 990 L C 0.195 176.998 176.870 -0.111 0.000 1.064 990 L CA -0.651 54.104 54.840 -0.142 0.000 0.824 990 L CB 0.597 42.575 42.059 -0.135 0.000 1.202 990 L HN 0.764 nan 8.230 nan 0.000 0.433 991 D N 2.993 123.332 120.400 -0.101 0.000 2.350 991 D HA 0.147 4.787 4.640 0.000 0.000 0.213 991 D C 0.133 176.443 176.300 0.017 0.000 1.031 991 D CA 0.577 54.561 54.000 -0.027 0.000 0.861 991 D CB 1.202 42.024 40.800 0.038 0.000 0.926 991 D HN 0.142 nan 8.370 nan 0.000 0.520 992 L N 0.708 121.907 121.223 -0.041 0.000 2.591 992 L HA 0.298 4.638 4.340 0.000 0.000 0.257 992 L C -2.079 174.753 176.870 -0.064 0.000 0.935 992 L CA -0.303 54.540 54.840 0.005 0.000 0.873 992 L CB 2.300 44.449 42.059 0.150 0.000 1.397 992 L HN -0.169 nan 8.230 nan 0.000 0.414 993 Q N 3.270 123.051 119.800 -0.032 0.000 2.337 993 Q HA 0.854 5.194 4.340 0.000 0.000 0.270 993 Q C -1.748 174.269 176.000 0.027 0.000 1.043 993 Q CA -0.386 55.403 55.803 -0.024 0.000 0.794 993 Q CB 2.396 31.116 28.738 -0.030 0.000 1.281 993 Q HN 0.907 nan 8.270 nan 0.000 0.446 994 A N 3.250 126.086 122.820 0.027 0.000 2.612 994 A HA 0.538 4.858 4.320 0.000 0.000 0.293 994 A C -1.780 175.842 177.584 0.064 0.000 1.075 994 A CA -0.853 51.216 52.037 0.052 0.000 0.680 994 A CB 1.588 20.633 19.000 0.074 0.000 1.279 994 A HN 0.771 nan 8.150 nan 0.000 0.411 995 D N 1.070 121.517 120.400 0.077 0.000 2.177 995 D HA 0.626 5.266 4.640 0.000 0.000 0.247 995 D C -0.182 176.161 176.300 0.071 0.000 1.063 995 D CA 0.261 54.302 54.000 0.068 0.000 0.867 995 D CB 1.854 42.681 40.800 0.046 0.000 1.168 995 D HN 0.467 nan 8.370 nan 0.000 0.445 996 S N 0.270 115.999 115.700 0.048 0.000 2.688 996 S HA 0.616 5.086 4.470 0.000 0.000 0.275 996 S C -1.415 173.067 174.600 -0.198 0.000 1.175 996 S CA -0.548 57.607 58.200 -0.075 0.000 0.818 996 S CB 1.691 64.835 63.200 -0.094 0.000 1.157 996 S HN 0.273 nan 8.310 nan 0.000 0.482 997 T N 2.450 116.778 114.554 -0.376 0.000 2.840 997 T HA 0.584 4.934 4.350 0.000 0.000 0.287 997 T C -1.514 172.910 174.700 -0.460 0.000 0.991 997 T CA -0.126 61.816 62.100 -0.264 0.000 0.964 997 T CB 0.315 69.112 68.868 -0.118 0.000 0.954 997 T HN 0.365 nan 8.240 nan 0.000 0.438 998 F N 2.877 122.854 119.950 0.045 0.000 2.361 998 F HA 0.611 5.138 4.527 -0.000 0.000 0.364 998 F C 1.086 176.906 175.800 0.032 0.000 1.117 998 F CA -0.230 57.799 58.000 0.049 0.000 1.071 998 F CB 0.673 39.706 39.000 0.054 0.000 1.188 998 F HN 0.935 nan 8.300 nan 0.000 0.464 999 A N 2.170 125.067 122.820 0.128 0.000 5.167 999 A HA -0.327 3.993 4.320 0.000 0.000 0.301 999 A C 1.452 179.066 177.584 0.050 0.000 2.015 999 A CA 1.592 53.678 52.037 0.083 0.000 0.715 999 A CB -2.014 17.045 19.000 0.098 0.000 1.256 999 A HN 1.260 nan 8.150 nan 0.000 0.360 1000 S N -1.098 114.634 115.700 0.054 0.000 2.650 1000 S HA 0.503 4.973 4.470 0.000 0.000 0.240 1000 S C 0.171 174.796 174.600 0.041 0.000 1.007 1000 S CA 0.948 59.168 58.200 0.033 0.000 0.984 1000 S CB 0.074 63.288 63.200 0.024 0.000 0.910 1000 S HN 1.279 nan 8.310 nan 0.000 0.509 1001 T N 3.011 117.611 114.554 0.076 0.000 2.756 1001 T HA 0.706 5.056 4.350 0.000 0.000 0.290 1001 T C 0.061 174.829 174.700 0.112 0.000 0.985 1001 T CA -0.350 61.800 62.100 0.083 0.000 0.955 1001 T CB 1.328 70.253 68.868 0.094 0.000 0.930 1001 T HN 0.487 nan 8.240 nan 0.000 0.451 1002 A N 4.749 127.607 122.820 0.063 0.000 2.363 1002 A HA 0.721 5.041 4.320 0.000 0.000 0.270 1002 A C 0.341 177.972 177.584 0.079 0.000 1.121 1002 A CA -0.419 51.652 52.037 0.057 0.000 0.800 1002 A CB 0.354 19.364 19.000 0.017 0.000 1.052 1002 A HN 0.841 nan 8.150 nan 0.000 0.493 1003 R N 0.257 120.835 120.500 0.130 0.000 2.604 1003 R HA 0.438 4.778 4.340 0.000 0.000 0.270 1003 R C -1.129 175.230 176.300 0.098 0.000 1.052 1003 R CA -0.558 55.599 56.100 0.095 0.000 0.902 1003 R CB 2.133 32.514 30.300 0.135 0.000 1.233 1003 R HN 0.722 nan 8.270 nan 0.000 0.455 1004 T N 2.895 117.436 114.554 -0.020 0.000 2.744 1004 T HA 0.572 4.922 4.350 0.000 0.000 0.291 1004 T C -0.106 174.611 174.700 0.028 0.000 0.957 1004 T CA -0.561 61.550 62.100 0.019 0.000 1.002 1004 T CB 0.167 69.030 68.868 -0.008 0.000 0.919 1004 T HN 0.422 nan 8.240 nan 0.000 0.468 1005 I N 2.040 122.693 120.570 0.139 0.000 3.264 1005 I HA 0.807 4.978 4.170 0.000 0.000 0.309 1005 I C -0.484 175.732 176.117 0.164 0.000 1.099 1005 I CA -1.403 59.995 61.300 0.164 0.000 0.989 1005 I CB 1.718 39.730 38.000 0.019 0.000 1.250 1005 I HN 0.557 nan 8.210 nan 0.000 0.478 1006 R N 1.342 121.876 120.500 0.057 0.000 2.673 1006 R HA 0.702 5.042 4.340 0.000 0.000 0.281 1006 R C -1.550 174.666 176.300 -0.139 0.000 0.991 1006 R CA -0.881 55.155 56.100 -0.106 0.000 0.896 1006 R CB 2.140 32.296 30.300 -0.241 0.000 1.201 1006 R HN 0.459 nan 8.270 nan 0.000 0.457 1007 I N 1.885 122.327 120.570 -0.214 0.000 2.404 1007 I HA 0.488 4.658 4.170 0.000 0.000 0.293 1007 I C 0.223 176.181 176.117 -0.264 0.000 0.992 1007 I CA -0.638 60.480 61.300 -0.303 0.000 1.149 1007 I CB 1.494 39.137 38.000 -0.596 0.000 1.315 1007 I HN 0.711 nan 8.210 nan 0.000 0.446 1008 A N 4.696 127.379 122.820 -0.228 0.000 2.311 1008 A HA 0.741 5.061 4.320 0.000 0.000 0.334 1008 A C 0.319 177.769 177.584 -0.223 0.000 1.139 1008 A CA -0.450 51.465 52.037 -0.204 0.000 0.830 1008 A CB 0.948 19.843 19.000 -0.176 0.000 1.234 1008 A HN 0.784 nan 8.150 nan 0.000 0.483 1009 S N -0.025 115.556 115.700 -0.198 0.000 2.596 1009 S HA 0.317 4.788 4.470 0.000 0.000 0.260 1009 S C 0.112 174.601 174.600 -0.184 0.000 1.336 1009 S CA 0.067 58.168 58.200 -0.164 0.000 0.993 1009 S CB 0.674 63.781 63.200 -0.156 0.000 0.923 1009 S HN 0.783 nan 8.310 nan 0.000 0.567 1010 Q N 0.380 120.092 119.800 -0.147 0.000 2.563 1010 Q HA 0.263 4.603 4.340 0.000 0.000 0.367 1010 Q C -1.347 174.570 176.000 -0.138 0.000 0.845 1010 Q CA -0.238 55.473 55.803 -0.154 0.000 1.077 1010 Q CB -0.270 28.399 28.738 -0.116 0.000 1.409 1010 Q HN 0.810 nan 8.270 nan 0.000 0.396 1011 N N 2.768 121.369 118.700 -0.164 0.000 2.497 1011 N HA 0.218 4.958 4.740 0.000 0.000 0.271 1011 N C -2.445 172.968 175.510 -0.161 0.000 1.142 1011 N CA -1.101 51.861 53.050 -0.147 0.000 0.965 1011 N CB 0.793 39.184 38.487 -0.160 0.000 1.077 1011 N HN 0.311 nan 8.380 nan 0.000 0.462 1012 P HA 0.068 nan 4.420 nan 0.000 0.274 1012 P C -0.793 176.394 177.300 -0.189 0.000 1.237 1012 P CA -0.259 62.762 63.100 -0.131 0.000 0.793 1012 P CB 0.971 32.618 31.700 -0.088 0.000 0.977 1013 V N 2.409 122.169 119.914 -0.256 0.000 2.384 1013 V HA 0.275 4.395 4.120 0.000 0.000 0.287 1013 V C 0.611 176.381 176.094 -0.541 0.000 1.020 1013 V CA -0.522 61.477 62.300 -0.501 0.000 0.850 1013 V CB 0.711 32.020 31.823 -0.857 0.000 0.987 1013 V HN 0.584 nan 8.190 nan 0.000 0.436 1014 N N 3.323 121.789 118.700 -0.390 0.000 2.558 1014 N HA 0.195 4.935 4.740 0.000 0.000 0.233 1014 N C 0.280 175.717 175.510 -0.123 0.000 1.038 1014 N CA -0.462 52.479 53.050 -0.181 0.000 0.934 1014 N CB 0.585 39.029 38.487 -0.071 0.000 1.175 1014 N HN 0.704 nan 8.380 nan 0.000 0.512 1015 W N 2.978 124.330 121.300 0.088 0.000 2.441 1015 W HA 0.116 4.776 4.660 0.000 0.000 0.302 1015 W C 0.049 176.707 176.519 0.232 0.000 1.191 1015 W CA -0.183 57.259 57.345 0.161 0.000 1.327 1015 W CB 0.162 29.653 29.460 0.050 0.000 1.128 1015 W HN 0.322 nan 8.180 nan 0.000 0.522 1016 L N 0.119 121.581 121.223 0.398 0.000 2.309 1016 L HA 0.357 4.697 4.340 0.000 0.000 0.261 1016 L C -0.129 176.843 176.870 0.170 0.000 1.021 1016 L CA -1.250 53.759 54.840 0.282 0.000 0.823 1016 L CB 0.805 43.027 42.059 0.272 0.000 1.366 1016 L HN -0.258 nan 8.230 nan 0.000 0.423 1017 N N 0.123 118.901 118.700 0.131 0.000 2.405 1017 N HA 0.297 5.037 4.740 0.000 0.000 0.269 1017 N C 0.806 176.363 175.510 0.078 0.000 1.249 1017 N CA -0.499 52.603 53.050 0.088 0.000 0.974 1017 N CB 0.375 38.904 38.487 0.069 0.000 1.204 1017 N HN 0.413 nan 8.380 nan 0.000 0.565 1018 N N 0.301 119.036 118.700 0.057 0.000 2.166 1018 N HA -0.160 4.580 4.740 0.000 0.000 0.186 1018 N C -0.076 175.462 175.510 0.047 0.000 1.019 1018 N CA 1.193 54.273 53.050 0.049 0.000 0.856 1018 N CB -0.310 38.199 38.487 0.037 0.000 0.993 1018 N HN 0.662 nan 8.380 nan 0.000 0.426 1019 D N -1.522 118.904 120.400 0.044 0.000 2.370 1019 D HA 0.293 4.933 4.640 0.000 0.000 0.230 1019 D C 1.052 177.378 176.300 0.043 0.000 1.143 1019 D CA 0.186 54.208 54.000 0.038 0.000 0.834 1019 D CB -0.064 40.754 40.800 0.029 0.000 0.944 1019 D HN 0.174 nan 8.370 nan 0.000 0.504 1020 G N -0.136 108.701 108.800 0.062 0.000 2.179 1020 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 1020 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 1020 G C 0.488 175.431 174.900 0.072 0.000 0.977 1020 G CA 0.215 45.359 45.100 0.073 0.000 0.641 1020 G HN 0.594 nan 8.290 nan 0.000 0.533 1021 S N 0.643 116.381 115.700 0.064 0.000 2.562 1021 S HA 0.497 4.967 4.470 0.000 0.000 0.281 1021 S C 0.882 175.542 174.600 0.099 0.000 1.333 1021 S CA 0.858 59.091 58.200 0.055 0.000 1.052 1021 S CB 0.430 63.656 63.200 0.044 0.000 0.884 1021 S HN 0.527 nan 8.310 nan 0.000 0.506 1022 T N 6.141 120.746 114.554 0.085 0.000 2.799 1022 T HA 0.168 4.518 4.350 0.000 0.000 0.296 1022 T C 0.995 175.793 174.700 0.163 0.000 0.947 1022 T CA -0.214 61.983 62.100 0.163 0.000 1.141 1022 T CB 0.868 69.782 68.868 0.077 0.000 0.891 1022 T HN 0.609 nan 8.240 nan 0.000 0.533 1023 K N 2.316 122.846 120.400 0.217 0.000 2.315 1023 K HA 0.160 4.480 4.320 0.000 0.000 0.215 1023 K C 0.584 177.273 176.600 0.149 0.000 1.047 1023 K CA 0.153 56.526 56.287 0.144 0.000 1.020 1023 K CB 0.155 32.723 32.500 0.114 0.000 1.211 1023 K HN 0.558 nan 8.250 nan 0.000 0.462 1024 Q N 0.656 120.534 119.800 0.130 0.000 2.261 1024 Q HA 0.158 4.498 4.340 0.000 0.000 0.252 1024 Q C -0.080 176.081 176.000 0.267 0.000 0.915 1024 Q CA -0.204 55.650 55.803 0.084 0.000 0.915 1024 Q CB 1.688 30.362 28.738 -0.107 0.000 1.204 1024 Q HN 0.172 nan 8.270 nan 0.000 0.421 1025 S N 1.111 116.989 115.700 0.298 0.000 2.582 1025 S HA 0.352 4.822 4.470 0.000 0.000 0.234 1025 S C 0.241 175.172 174.600 0.553 0.000 0.961 1025 S CA 0.223 58.743 58.200 0.534 0.000 0.953 1025 S CB 0.340 63.739 63.200 0.333 0.000 0.800 1025 S HN 0.861 nan 8.310 nan 0.000 0.471 1026 G N 1.209 110.160 108.800 0.251 0.000 2.373 1026 G HA2 0.247 4.207 3.960 0.000 0.000 0.250 1026 G HA3 0.247 4.207 3.960 0.000 0.000 0.250 1026 G C -1.961 172.954 174.900 0.025 0.000 1.304 1026 G CA -0.430 44.756 45.100 0.143 0.000 0.948 1026 G HN 0.353 nan 8.290 nan 0.000 0.474 1027 W N -1.186 120.121 121.300 0.012 0.000 2.988 1027 W HA 0.755 5.416 4.660 0.000 0.000 0.355 1027 W C -1.616 174.912 176.519 0.014 0.000 1.233 1027 W CA -1.103 56.211 57.345 -0.052 0.000 1.176 1027 W CB 1.028 30.390 29.460 -0.163 0.000 1.477 1027 W HN 1.259 nan 8.180 nan 0.000 0.582 1028 Y N 0.123 120.558 120.300 0.225 0.000 2.581 1028 Y HA 0.800 5.350 4.550 0.000 0.000 0.337 1028 Y C -2.253 173.578 175.900 -0.115 0.000 1.108 1028 Y CA -1.714 56.330 58.100 -0.094 0.000 1.033 1028 Y CB 1.545 39.811 38.460 -0.323 0.000 1.318 1028 Y HN 0.514 nan 8.280 nan 0.000 0.459 1029 L N 3.452 124.526 121.223 -0.249 0.000 2.482 1029 L HA 0.538 4.879 4.340 0.000 0.000 0.269 1029 L C -1.680 174.857 176.870 -0.555 0.000 0.967 1029 L CA -0.399 54.191 54.840 -0.417 0.000 0.851 1029 L CB 1.643 43.434 42.059 -0.446 0.000 1.242 1029 L HN 0.775 nan 8.230 nan 0.000 0.404 1030 D N 4.522 124.707 120.400 -0.359 0.000 2.308 1030 D HA 0.170 4.810 4.640 0.000 0.000 0.251 1030 D C -0.355 175.744 176.300 -0.333 0.000 1.127 1030 D CA 0.243 54.056 54.000 -0.313 0.000 0.876 1030 D CB 0.874 41.610 40.800 -0.106 0.000 1.176 1030 D HN 0.314 nan 8.370 nan 0.000 0.446 1031 F N 3.421 123.279 119.950 -0.154 0.000 2.662 1031 F HA 0.118 4.645 4.527 0.000 0.000 0.343 1031 F C 0.824 176.539 175.800 -0.142 0.000 1.302 1031 F CA -0.105 57.789 58.000 -0.175 0.000 1.142 1031 F CB -0.742 38.169 39.000 -0.148 0.000 1.524 1031 F HN 0.105 nan 8.300 nan 0.000 0.668 1032 M N 0.713 120.308 119.600 -0.009 0.000 2.426 1032 M HA 0.493 4.973 4.480 0.000 0.000 0.289 1032 M C -2.085 174.164 176.300 -0.085 0.000 1.168 1032 M CA -0.935 54.338 55.300 -0.044 0.000 0.933 1032 M CB 2.072 34.652 32.600 -0.033 0.000 1.750 1032 M HN -0.149 nan 8.290 nan 0.000 0.494 1033 V N 3.658 123.516 119.914 -0.095 0.000 2.350 1033 V HA 0.428 4.548 4.120 0.000 0.000 0.276 1033 V C 0.148 176.206 176.094 -0.061 0.000 1.028 1033 V CA 0.268 62.508 62.300 -0.099 0.000 0.860 1033 V CB 0.543 32.289 31.823 -0.128 0.000 0.990 1033 V HN 1.118 nan 8.190 nan 0.000 0.453 1034 N N 5.024 123.692 118.700 -0.053 0.000 2.727 1034 N HA -0.204 4.536 4.740 0.000 0.000 0.249 1034 N C 1.000 176.493 175.510 -0.028 0.000 1.048 1034 N CA 0.589 53.620 53.050 -0.032 0.000 0.714 1034 N CB -1.093 37.384 38.487 -0.017 0.000 0.959 1034 N HN 1.570 nan 8.380 nan 0.000 0.544 1035 G N -0.759 108.020 108.800 -0.034 0.000 2.189 1035 G HA2 -0.389 3.571 3.960 0.000 0.000 0.267 1035 G HA3 -0.389 3.571 3.960 0.000 0.000 0.267 1035 G C 0.266 175.154 174.900 -0.019 0.000 0.975 1035 G CA 0.889 45.974 45.100 -0.024 0.000 0.644 1035 G HN 0.968 nan 8.290 nan 0.000 0.537 1036 T N -0.298 114.242 114.554 -0.024 0.000 2.737 1036 T HA 0.609 4.959 4.350 0.000 0.000 0.296 1036 T C 0.444 175.133 174.700 -0.018 0.000 0.922 1036 T CA -0.692 61.398 62.100 -0.018 0.000 1.079 1036 T CB 1.137 69.995 68.868 -0.018 0.000 0.892 1036 T HN 0.485 nan 8.240 nan 0.000 0.514 1037 L N 4.500 125.716 121.223 -0.011 0.000 2.278 1037 L HA 0.385 4.725 4.340 0.000 0.000 0.287 1037 L C 1.293 178.158 176.870 -0.008 0.000 1.072 1037 L CA -0.594 54.242 54.840 -0.007 0.000 0.819 1037 L CB 0.681 42.738 42.059 -0.003 0.000 1.176 1037 L HN 0.629 nan 8.230 nan 0.000 0.435 1038 K N 2.182 122.576 120.400 -0.011 0.000 2.402 1038 K HA 0.229 4.549 4.320 0.000 0.000 0.203 1038 K C 1.102 177.690 176.600 -0.020 0.000 1.077 1038 K CA 0.523 56.804 56.287 -0.011 0.000 1.051 1038 K CB 1.300 33.796 32.500 -0.007 0.000 0.907 1038 K HN 0.904 nan 8.250 nan 0.000 0.554 1039 G N 2.323 111.110 108.800 -0.021 0.000 2.132 1039 G HA2 -0.265 3.695 3.960 0.000 0.000 0.228 1039 G HA3 -0.265 3.695 3.960 0.000 0.000 0.228 1039 G C -0.163 174.698 174.900 -0.066 0.000 1.000 1039 G CA 0.178 45.254 45.100 -0.040 0.000 0.693 1039 G HN 0.347 nan 8.290 nan 0.000 0.515 1040 E N 0.455 120.626 120.200 -0.048 0.000 2.376 1040 E HA 0.498 4.848 4.350 0.000 0.000 0.266 1040 E C 0.986 177.502 176.600 -0.140 0.000 1.009 1040 E CA 0.203 56.541 56.400 -0.103 0.000 0.902 1040 E CB 0.144 29.794 29.700 -0.085 0.000 0.972 1040 E HN 0.650 nan 8.360 nan 0.000 0.439 1041 M N 2.757 122.200 119.600 -0.263 0.000 2.569 1041 M HA 0.418 4.898 4.480 0.000 0.000 0.279 1041 M C -1.780 174.327 176.300 -0.322 0.000 1.253 1041 M CA -1.202 53.960 55.300 -0.230 0.000 0.867 1041 M CB 1.346 33.864 32.600 -0.137 0.000 1.727 1041 M HN 0.387 nan 8.290 nan 0.000 0.467 1042 L N 3.630 124.748 121.223 -0.175 0.000 2.272 1042 L HA 0.512 4.852 4.340 0.000 0.000 0.289 1042 L C -0.050 176.833 176.870 0.022 0.000 1.032 1042 L CA -0.387 54.403 54.840 -0.083 0.000 0.810 1042 L CB 1.144 43.251 42.059 0.080 0.000 1.205 1042 L HN 0.847 nan 8.230 nan 0.000 0.422 1043 I N 0.907 121.487 120.570 0.017 0.000 4.338 1043 I HA 0.425 4.595 4.170 0.000 0.000 0.329 1043 I C -0.138 176.098 176.117 0.198 0.000 1.378 1043 I CA -0.021 61.332 61.300 0.087 0.000 1.170 1043 I CB 0.107 38.068 38.000 -0.066 0.000 1.206 1043 I HN 0.519 nan 8.210 nan 0.000 0.432 1044 E N 2.191 122.482 120.200 0.152 0.000 2.191 1044 E HA 0.385 4.735 4.350 0.000 0.000 0.274 1044 E C -0.980 175.720 176.600 0.167 0.000 0.948 1044 E CA -0.448 56.052 56.400 0.166 0.000 0.802 1044 E CB 1.325 31.102 29.700 0.128 0.000 1.137 1044 E HN 0.073 nan 8.360 nan 0.000 0.397 1045 D N 2.081 122.579 120.400 0.164 0.000 2.419 1045 D HA 0.085 4.725 4.640 0.000 0.000 0.236 1045 D C 0.007 176.400 176.300 0.154 0.000 1.165 1045 D CA 0.718 54.814 54.000 0.161 0.000 0.882 1045 D CB 0.454 41.340 40.800 0.143 0.000 1.201 1045 D HN 0.369 nan 8.370 nan 0.000 0.443 1046 M N 0.911 120.606 119.600 0.160 0.000 2.613 1046 M HA 0.512 4.992 4.480 0.000 0.000 0.301 1046 M C -0.234 176.149 176.300 0.139 0.000 1.205 1046 M CA -0.747 54.648 55.300 0.158 0.000 0.950 1046 M CB 1.403 34.108 32.600 0.174 0.000 1.585 1046 M HN 0.107 nan 8.290 nan 0.000 0.490 1047 I N 1.167 121.818 120.570 0.134 0.000 2.439 1047 I HA 0.454 4.625 4.170 0.000 0.000 0.283 1047 I C -0.702 175.476 176.117 0.101 0.000 1.023 1047 I CA -0.636 60.732 61.300 0.114 0.000 1.100 1047 I CB 1.737 39.804 38.000 0.111 0.000 1.238 1047 I HN 0.698 nan 8.210 nan 0.000 0.445 1048 A N 7.204 130.079 122.820 0.092 0.000 2.249 1048 A HA 0.807 5.127 4.320 0.000 0.000 0.314 1048 A C -0.907 176.716 177.584 0.065 0.000 1.290 1048 A CA -0.324 51.757 52.037 0.073 0.000 0.893 1048 A CB 0.717 19.764 19.000 0.079 0.000 1.165 1048 A HN 0.602 nan 8.150 nan 0.000 0.530 1049 I N 2.325 122.924 120.570 0.048 0.000 2.607 1049 I HA 0.649 4.819 4.170 0.000 0.000 0.290 1049 I C 0.724 176.859 176.117 0.029 0.000 1.129 1049 I CA 1.153 62.480 61.300 0.044 0.000 1.042 1049 I CB 1.590 39.616 38.000 0.043 0.000 1.242 1049 I HN 1.540 nan 8.210 nan 0.000 0.421 1050 G N 6.334 115.153 108.800 0.032 0.000 2.629 1050 G HA2 -0.311 3.649 3.960 0.000 0.000 0.313 1050 G HA3 -0.311 3.649 3.960 0.000 0.000 0.313 1050 G C 0.172 175.093 174.900 0.036 0.000 1.217 1050 G CA 0.658 45.771 45.100 0.022 0.000 0.994 1050 G HN 0.739 nan 8.290 nan 0.000 0.549 1051 Q N -0.191 119.636 119.800 0.045 0.000 2.241 1051 Q HA 0.614 4.954 4.340 0.000 0.000 0.296 1051 Q C -0.240 175.806 176.000 0.077 0.000 0.889 1051 Q CA 0.007 55.854 55.803 0.073 0.000 1.089 1051 Q CB 1.338 30.216 28.738 0.233 0.000 1.195 1051 Q HN 0.616 nan 8.270 nan 0.000 0.451 1052 V N -0.329 119.595 119.914 0.018 0.000 3.012 1052 V HA 0.551 4.671 4.120 0.000 0.000 0.307 1052 V C -1.735 174.344 176.094 -0.025 0.000 1.166 1052 V CA -0.904 61.391 62.300 -0.007 0.000 0.974 1052 V CB 2.572 34.426 31.823 0.051 0.000 1.040 1052 V HN 0.006 nan 8.190 nan 0.000 0.428 1053 V N 7.252 127.152 119.914 -0.023 0.000 2.487 1053 V HA 0.642 4.763 4.120 0.000 0.000 0.298 1053 V C -0.815 175.330 176.094 0.086 0.000 1.028 1053 V CA -0.417 61.909 62.300 0.043 0.000 0.860 1053 V CB 1.536 33.403 31.823 0.074 0.000 0.991 1053 V HN 0.804 nan 8.190 nan 0.000 0.427 1054 L N 7.838 129.134 121.223 0.122 0.000 2.309 1054 L HA 0.751 5.091 4.340 0.000 0.000 0.282 1054 L C -0.432 176.568 176.870 0.217 0.000 1.036 1054 L CA -0.559 54.397 54.840 0.192 0.000 0.806 1054 L CB 1.515 43.682 42.059 0.180 0.000 1.220 1054 L HN 0.705 nan 8.230 nan 0.000 0.429 1055 L N 0.941 122.331 121.223 0.279 0.000 2.469 1055 L HA 0.698 5.038 4.340 0.000 0.000 0.256 1055 L C -1.185 175.855 176.870 0.283 0.000 1.006 1055 L CA -0.744 54.252 54.840 0.260 0.000 0.832 1055 L CB 2.122 44.341 42.059 0.266 0.000 1.421 1055 L HN 0.601 nan 8.230 nan 0.000 0.410 1056 Q N 1.338 121.261 119.800 0.205 0.000 2.304 1056 Q HA 0.591 4.931 4.340 0.000 0.000 0.270 1056 Q C -1.272 174.781 176.000 0.089 0.000 1.035 1056 Q CA -0.426 55.473 55.803 0.161 0.000 0.781 1056 Q CB 2.472 31.274 28.738 0.106 0.000 1.261 1056 Q HN 0.930 nan 8.270 nan 0.000 0.444 1057 T N 1.036 115.633 114.554 0.071 0.000 2.952 1057 T HA 0.705 5.055 4.350 0.000 0.000 0.286 1057 T C -0.183 174.487 174.700 -0.051 0.000 1.024 1057 T CA -0.787 61.241 62.100 -0.120 0.000 1.029 1057 T CB 1.299 69.939 68.868 -0.380 0.000 1.094 1057 T HN 0.626 nan 8.240 nan 0.000 0.515 1058 I N 0.560 121.045 120.570 -0.141 0.000 2.509 1058 I HA 0.500 4.670 4.170 0.000 0.000 0.293 1058 I C -1.028 174.993 176.117 -0.159 0.000 1.020 1058 I CA -0.659 60.565 61.300 -0.128 0.000 1.088 1058 I CB 2.198 40.068 38.000 -0.217 0.000 1.267 1058 I HN 0.781 nan 8.210 nan 0.000 0.430 1059 T N 7.924 122.434 114.554 -0.073 0.000 2.912 1059 T HA 0.417 4.767 4.350 0.000 0.000 0.326 1059 T C -2.506 172.154 174.700 -0.067 0.000 1.080 1059 T CA -1.029 61.035 62.100 -0.060 0.000 1.000 1059 T CB 1.227 70.122 68.868 0.045 0.000 1.008 1059 T HN 0.351 nan 8.240 nan 0.000 0.473 1060 P HA 0.297 nan 4.420 nan 0.000 0.271 1060 P C -0.087 177.204 177.300 -0.016 0.000 1.244 1060 P CA -0.136 62.920 63.100 -0.073 0.000 0.793 1060 P CB 0.614 32.244 31.700 -0.117 0.000 0.984 1070 S N 0.239 115.952 115.700 0.020 0.000 2.472 1070 S HA 0.646 5.116 4.470 0.000 0.000 0.303 1070 S C -0.506 174.099 174.600 0.009 0.000 1.099 1070 S CA -0.558 57.644 58.200 0.004 0.000 1.077 1070 S CB 0.480 63.711 63.200 0.050 0.000 1.031 1070 S HN 0.657 nan 8.310 nan 0.000 0.487 1071 N N 2.850 121.503 118.700 -0.079 0.000 2.400 1071 N HA 0.454 5.194 4.740 0.000 0.000 0.288 1071 N C -1.749 173.631 175.510 -0.217 0.000 1.024 1071 N CA -0.498 52.510 53.050 -0.070 0.000 0.894 1071 N CB 0.998 39.449 38.487 -0.060 0.000 1.173 1071 N HN 0.552 nan 8.380 nan 0.000 0.487 1072 W N 1.083 122.300 121.300 -0.138 0.000 2.619 1072 W HA 0.307 4.967 4.660 0.001 0.000 0.327 1072 W C -0.549 175.784 176.519 -0.310 0.000 1.027 1072 W CA -0.421 56.759 57.345 -0.274 0.000 1.233 1072 W CB 1.860 31.155 29.460 -0.274 0.000 1.370 1072 W HN 0.220 nan 8.180 nan 0.000 0.453 1073 T N 3.696 118.111 114.554 -0.233 0.000 2.795 1073 T HA 0.439 4.789 4.350 0.000 0.000 0.282 1073 T C -1.094 173.446 174.700 -0.267 0.000 0.980 1073 T CA -0.224 61.773 62.100 -0.171 0.000 1.012 1073 T CB 0.497 69.204 68.868 -0.269 0.000 0.936 1073 T HN 0.083 nan 8.240 nan 0.000 0.457 1074 Y N 0.324 120.734 120.300 0.182 0.000 2.485 1074 Y HA 0.634 5.184 4.550 0.000 0.000 0.345 1074 Y C 0.653 176.815 175.900 0.438 0.000 0.998 1074 Y CA -1.157 57.109 58.100 0.278 0.000 1.059 1074 Y CB 2.134 40.714 38.460 0.200 0.000 1.234 1074 Y HN 0.777 nan 8.280 nan 0.000 0.461 1075 G N 3.305 112.455 108.800 0.583 0.000 2.814 1075 G HA2 0.637 4.597 3.960 0.000 0.000 0.300 1075 G HA3 0.637 4.597 3.960 0.000 0.000 0.300 1075 G C -1.422 173.490 174.900 0.020 0.000 1.406 1075 G CA -0.445 44.743 45.100 0.147 0.000 1.041 1075 G HN 0.480 nan 8.290 nan 0.000 0.532 1076 L N 0.983 122.189 121.223 -0.029 0.000 2.303 1076 L HA 0.500 4.841 4.340 0.000 0.000 0.266 1076 L C -0.520 176.202 176.870 -0.247 0.000 1.011 1076 L CA -1.265 53.476 54.840 -0.165 0.000 0.818 1076 L CB 2.331 44.270 42.059 -0.200 0.000 1.326 1076 L HN 0.388 nan 8.230 nan 0.000 0.435 1077 D N 2.390 122.584 120.400 -0.344 0.000 2.339 1077 D HA 0.104 4.744 4.640 0.000 0.000 0.256 1077 D C -1.605 174.448 176.300 -0.411 0.000 1.214 1077 D CA -1.919 51.873 54.000 -0.347 0.000 0.877 1077 D CB 1.277 41.891 40.800 -0.309 0.000 1.111 1077 D HN 0.179 nan 8.370 nan 0.000 0.478 1078 P HA -0.155 nan 4.420 nan 0.000 0.221 1078 P C 0.788 178.080 177.300 -0.013 0.000 1.150 1078 P CA 1.063 64.039 63.100 -0.206 0.000 0.800 1078 P CB -0.070 31.446 31.700 -0.307 0.000 0.787 1079 Y N -1.026 119.313 120.300 0.065 0.000 2.583 1079 Y HA 0.077 4.627 4.550 0.000 0.000 0.293 1079 Y C 2.295 178.291 175.900 0.160 0.000 1.157 1079 Y CA 0.622 58.815 58.100 0.155 0.000 1.315 1079 Y CB 0.003 38.480 38.460 0.027 0.000 1.021 1079 Y HN 0.006 nan 8.280 nan 0.000 0.536 1080 T N -2.398 111.998 114.554 -0.262 0.000 3.147 1080 T HA 0.242 4.592 4.350 0.000 0.000 0.275 1080 T C 1.432 175.201 174.700 -1.551 0.000 0.879 1080 T CA 0.668 62.403 62.100 -0.608 0.000 0.863 1080 T CB -0.136 68.542 68.868 -0.317 0.000 1.236 1080 T HN 0.386 nan 8.240 nan 0.000 0.582 1081 G N 0.832 108.370 108.800 -2.103 0.000 2.189 1081 G HA2 -0.152 3.808 3.960 0.000 0.000 0.267 1081 G HA3 -0.152 3.808 3.960 0.000 0.000 0.267 1081 G C 0.575 174.857 174.900 -1.030 0.000 0.975 1081 G CA 0.456 44.127 45.100 -2.381 0.000 0.644 1081 G HN 0.970 nan 8.290 nan 0.000 0.537 1082 G N -1.073 107.294 108.800 -0.722 0.000 2.702 1082 G HA2 0.611 4.571 3.960 0.000 0.000 0.254 1082 G HA3 0.611 4.571 3.960 0.000 0.000 0.254 1082 G C 0.085 174.770 174.900 -0.358 0.000 1.380 1082 G CA -0.198 44.630 45.100 -0.454 0.000 1.042 1082 G HN 0.505 nan 8.290 nan 0.000 0.557 1083 R N 0.173 120.506 120.500 -0.278 0.000 2.537 1083 R HA 0.212 4.552 4.340 0.000 0.000 0.280 1083 R C 0.616 176.741 176.300 -0.291 0.000 1.058 1083 R CA 0.156 56.106 56.100 -0.249 0.000 1.057 1083 R CB 0.029 30.207 30.300 -0.202 0.000 0.973 1083 R HN 0.622 nan 8.270 nan 0.000 0.438 1084 T N 0.585 114.906 114.554 -0.388 0.000 2.860 1084 T HA 0.019 4.369 4.350 0.000 0.000 0.299 1084 T C 1.268 175.687 174.700 -0.468 0.000 1.045 1084 T CA -0.225 61.517 62.100 -0.596 0.000 1.071 1084 T CB 1.309 69.478 68.868 -1.166 0.000 0.985 1084 T HN 0.647 nan 8.240 nan 0.000 0.537 1085 S N -0.020 115.454 115.700 -0.376 0.000 2.593 1085 S HA 0.229 4.700 4.470 0.000 0.000 0.217 1085 S C 0.138 174.718 174.600 -0.032 0.000 0.966 1085 S CA -0.881 57.246 58.200 -0.122 0.000 0.914 1085 S CB -0.941 62.269 63.200 0.016 0.000 0.776 1085 S HN 0.767 nan 8.310 nan 0.000 0.523 1086 F N -0.609 119.324 119.950 -0.029 0.000 2.603 1086 F HA 0.741 5.268 4.527 0.000 0.000 0.317 1086 F C -0.438 175.337 175.800 -0.042 0.000 1.066 1086 F CA -1.381 56.603 58.000 -0.027 0.000 0.941 1086 F CB 0.353 39.334 39.000 -0.031 0.000 1.291 1086 F HN -0.298 nan 8.300 nan 0.000 0.472 1087 T N 1.886 116.558 114.554 0.197 0.000 2.853 1087 T HA 0.272 4.622 4.350 0.000 0.000 0.298 1087 T C 1.018 175.798 174.700 0.134 0.000 0.978 1087 T CA -0.356 61.803 62.100 0.098 0.000 1.152 1087 T CB 1.313 70.238 68.868 0.095 0.000 0.914 1087 T HN 0.570 nan 8.240 nan 0.000 0.539 1088 V N 2.439 122.316 119.914 -0.062 0.000 2.521 1088 V HA 0.220 4.340 4.120 0.000 0.000 0.239 1088 V C 0.351 176.231 176.094 -0.357 0.000 1.053 1088 V CA 0.825 62.977 62.300 -0.247 0.000 1.073 1088 V CB -0.174 31.273 31.823 -0.627 0.000 0.746 1088 V HN 0.698 nan 8.190 nan 0.000 0.476 1089 F N 0.930 120.871 119.950 -0.015 0.000 2.397 1089 F HA 0.474 5.001 4.527 -0.000 0.000 0.331 1089 F C 0.173 175.930 175.800 -0.072 0.000 1.090 1089 F CA -1.325 56.644 58.000 -0.051 0.000 1.065 1089 F CB 0.531 39.468 39.000 -0.105 0.000 1.184 1089 F HN -0.019 nan 8.300 nan 0.000 0.499 1090 D N 2.910 123.398 120.400 0.147 0.000 2.500 1090 D HA 0.230 4.871 4.640 0.000 0.000 0.219 1090 D C 0.440 176.750 176.300 0.016 0.000 1.137 1090 D CA 0.066 54.103 54.000 0.061 0.000 0.946 1090 D CB 0.143 40.977 40.800 0.057 0.000 1.022 1090 D HN 0.513 nan 8.370 nan 0.000 0.518 1091 L N 2.254 123.426 121.223 -0.085 0.000 2.492 1091 L HA 0.169 4.509 4.340 0.000 0.000 0.223 1091 L C 1.964 178.814 176.870 -0.034 0.000 1.132 1091 L CA 0.413 55.134 54.840 -0.199 0.000 0.850 1091 L CB -0.029 41.624 42.059 -0.677 0.000 0.966 1091 L HN 0.415 nan 8.230 nan 0.000 0.454 1092 A N -0.287 122.564 122.820 0.051 0.000 2.307 1092 A HA 0.117 4.437 4.320 0.000 0.000 0.218 1092 A C 1.070 178.700 177.584 0.077 0.000 1.228 1092 A CA -0.316 51.798 52.037 0.129 0.000 0.857 1092 A CB -0.201 18.898 19.000 0.164 0.000 0.897 1092 A HN 0.382 nan 8.150 nan 0.000 0.495 1093 R N -0.990 119.538 120.500 0.047 0.000 3.422 1093 R HA -0.170 4.170 4.340 0.000 0.000 0.267 1093 R C 0.212 176.535 176.300 0.038 0.000 1.074 1093 R CA 0.755 56.876 56.100 0.035 0.000 0.718 1093 R CB -1.555 28.763 30.300 0.030 0.000 1.157 1093 R HN 0.528 nan 8.270 nan 0.000 0.440 1094 Q N -0.743 119.082 119.800 0.042 0.000 2.424 1094 Q HA 0.066 4.407 4.340 0.000 0.000 0.204 1094 Q C 1.800 177.819 176.000 0.032 0.000 0.933 1094 Q CA 1.390 57.217 55.803 0.040 0.000 0.929 1094 Q CB 0.692 29.457 28.738 0.046 0.000 1.037 1094 Q HN 0.726 nan 8.270 nan 0.000 0.511 1095 G N 0.501 109.319 108.800 0.031 0.000 2.217 1095 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 1095 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 1095 G C 0.316 175.232 174.900 0.027 0.000 0.990 1095 G CA 0.410 45.526 45.100 0.027 0.000 0.627 1095 G HN 0.424 nan 8.290 nan 0.000 0.522 1096 V N -2.719 117.213 119.914 0.030 0.000 3.114 1096 V HA 0.847 4.967 4.120 0.000 0.000 0.308 1096 V C 0.155 176.269 176.094 0.035 0.000 1.168 1096 V CA -1.124 61.193 62.300 0.028 0.000 1.015 1096 V CB 2.120 33.957 31.823 0.023 0.000 1.050 1096 V HN 0.652 nan 8.190 nan 0.000 0.433 1097 V N 3.703 123.636 119.914 0.032 0.000 2.389 1097 V HA 0.537 4.657 4.120 0.000 0.000 0.264 1097 V C -0.181 175.939 176.094 0.043 0.000 1.049 1097 V CA 0.375 62.699 62.300 0.039 0.000 0.932 1097 V CB 0.086 31.928 31.823 0.032 0.000 1.011 1097 V HN 1.216 nan 8.190 nan 0.000 0.475 1098 D N 2.394 122.827 120.400 0.054 0.000 2.636 1098 D HA 0.299 4.939 4.640 0.000 0.000 0.275 1098 D C 1.115 177.462 176.300 0.077 0.000 1.130 1098 D CA -0.052 53.983 54.000 0.058 0.000 1.031 1098 D CB 0.981 41.812 40.800 0.052 0.000 1.451 1098 D HN 0.286 nan 8.370 nan 0.000 0.505 1099 S N -0.694 115.052 115.700 0.077 0.000 2.440 1099 S HA -0.255 4.215 4.470 0.000 0.000 0.240 1099 S C 1.483 176.159 174.600 0.126 0.000 1.014 1099 S CA 0.958 59.214 58.200 0.093 0.000 0.980 1099 S CB -0.487 62.757 63.200 0.073 0.000 0.775 1099 S HN 0.401 nan 8.310 nan 0.000 0.499 1100 K N 1.551 122.025 120.400 0.123 0.000 2.281 1100 K HA 0.144 4.464 4.320 0.000 0.000 0.203 1100 K C 1.893 178.668 176.600 0.292 0.000 1.046 1100 K CA 1.102 57.489 56.287 0.166 0.000 0.938 1100 K CB -0.344 32.234 32.500 0.131 0.000 0.737 1100 K HN 0.413 nan 8.250 nan 0.000 0.458 1101 S N 0.462 116.291 115.700 0.216 0.000 2.556 1101 S HA 0.078 4.548 4.470 0.000 0.000 0.216 1101 S C -0.027 174.677 174.600 0.174 0.000 0.970 1101 S CA -0.183 58.097 58.200 0.133 0.000 0.912 1101 S CB 0.142 63.329 63.200 -0.022 0.000 0.790 1101 S HN 0.249 nan 8.310 nan 0.000 0.504 1102 D N 0.405 120.972 120.400 0.278 0.000 2.377 1102 D HA 0.291 4.932 4.640 0.000 0.000 0.245 1102 D C -0.676 175.922 176.300 0.496 0.000 1.196 1102 D CA 0.004 54.179 54.000 0.292 0.000 0.962 1102 D CB 0.551 41.462 40.800 0.184 0.000 1.127 1102 D HN 0.219 nan 8.370 nan 0.000 0.471 1103 Y N -0.380 120.081 120.300 0.269 0.000 2.462 1103 Y HA 0.251 4.801 4.550 -0.000 0.000 0.346 1103 Y C -0.298 175.702 175.900 0.166 0.000 0.976 1103 Y CA -0.775 57.477 58.100 0.252 0.000 1.044 1103 Y CB 1.818 40.454 38.460 0.293 0.000 1.230 1103 Y HN 0.171 nan 8.280 nan 0.000 0.455 1104 S N 5.559 120.954 115.700 -0.508 0.000 2.400 1104 S HA 0.195 4.665 4.470 0.000 0.000 0.295 1104 S C -1.477 172.983 174.600 -0.232 0.000 1.113 1104 S CA -0.217 57.802 58.200 -0.301 0.000 1.064 1104 S CB -0.527 62.492 63.200 -0.303 0.000 0.990 1104 S HN 0.533 nan 8.310 nan 0.000 0.502 1105 Y N 6.121 126.400 120.300 -0.035 0.000 2.417 1105 Y HA 0.348 4.898 4.550 0.000 0.000 0.336 1105 Y C 0.441 176.358 175.900 0.029 0.000 0.961 1105 Y CA -0.848 57.310 58.100 0.096 0.000 1.215 1105 Y CB 0.086 38.659 38.460 0.188 0.000 1.120 1105 Y HN 0.840 nan 8.280 nan 0.000 0.499 1106 N N 5.008 123.524 118.700 -0.305 0.000 2.754 1106 N HA -0.263 4.478 4.740 0.000 0.000 0.248 1106 N C -0.391 175.037 175.510 -0.137 0.000 1.093 1106 N CA 1.274 54.153 53.050 -0.285 0.000 0.699 1106 N CB -0.889 37.360 38.487 -0.398 0.000 1.016 1106 N HN 0.916 nan 8.380 nan 0.000 0.552 1107 K N -2.052 118.287 120.400 -0.101 0.000 3.192 1107 K HA -0.257 4.063 4.320 0.000 0.000 0.278 1107 K C -0.579 175.998 176.600 -0.038 0.000 1.164 1107 K CA 1.033 57.279 56.287 -0.070 0.000 0.816 1107 K CB -0.888 31.573 32.500 -0.064 0.000 1.256 1107 K HN 0.491 nan 8.250 nan 0.000 0.497 1108 Q N 0.054 119.848 119.800 -0.011 0.000 2.289 1108 Q HA 0.332 4.672 4.340 0.000 0.000 0.270 1108 Q C -0.915 175.122 176.000 0.062 0.000 1.038 1108 Q CA -0.542 55.277 55.803 0.027 0.000 0.812 1108 Q CB 1.507 30.273 28.738 0.047 0.000 1.300 1108 Q HN 0.201 nan 8.270 nan 0.000 0.427 1109 N N 0.682 119.414 118.700 0.053 0.000 2.475 1109 N HA 0.389 5.129 4.740 0.000 0.000 0.267 1109 N C -1.239 174.333 175.510 0.103 0.000 1.169 1109 N CA -0.068 53.026 53.050 0.075 0.000 0.947 1109 N CB 0.861 39.384 38.487 0.060 0.000 1.061 1109 N HN 0.147 nan 8.380 nan 0.000 0.466 1110 V N 1.554 121.555 119.914 0.145 0.000 2.925 1110 V HA 0.603 4.723 4.120 0.000 0.000 0.311 1110 V C -0.699 175.462 176.094 0.110 0.000 1.104 1110 V CA -0.680 61.690 62.300 0.117 0.000 0.954 1110 V CB 1.948 33.855 31.823 0.139 0.000 1.022 1110 V HN 0.740 nan 8.190 nan 0.000 0.427 1111 A N 4.153 126.992 122.820 0.032 0.000 2.462 1111 A HA 0.564 4.884 4.320 0.000 0.000 0.243 1111 A C -0.270 177.319 177.584 0.008 0.000 1.076 1111 A CA -0.037 52.004 52.037 0.007 0.000 0.773 1111 A CB 0.438 19.380 19.000 -0.098 0.000 1.010 1111 A HN 0.889 nan 8.150 nan 0.000 0.493 1112 V N 2.964 122.900 119.914 0.037 0.000 2.461 1112 V HA 0.167 4.287 4.120 0.000 0.000 0.275 1112 V C 1.046 177.181 176.094 0.068 0.000 1.047 1112 V CA 0.401 62.715 62.300 0.022 0.000 0.955 1112 V CB 1.245 33.058 31.823 -0.016 0.000 0.988 1112 V HN 1.041 nan 8.190 nan 0.000 0.471 1113 S N 2.858 118.584 115.700 0.044 0.000 2.470 1113 S HA 0.258 4.728 4.470 0.000 0.000 0.222 1113 S C 0.726 175.471 174.600 0.242 0.000 1.024 1113 S CA 0.612 58.894 58.200 0.138 0.000 0.931 1113 S CB 0.522 63.759 63.200 0.062 0.000 0.791 1113 S HN 0.953 nan 8.310 nan 0.000 0.513 1114 G N -0.125 108.715 108.800 0.068 0.000 2.612 1114 G HA2 0.570 4.530 3.960 0.000 0.000 0.298 1114 G HA3 0.570 4.530 3.960 0.000 0.000 0.298 1114 G C -1.431 173.440 174.900 -0.048 0.000 1.336 1114 G CA -0.367 44.640 45.100 -0.155 0.000 0.953 1114 G HN 0.006 nan 8.290 nan 0.000 0.482 1115 T N -0.460 113.966 114.554 -0.213 0.000 2.982 1115 T HA 0.435 4.785 4.350 0.000 0.000 0.321 1115 T C -1.072 173.122 174.700 -0.843 0.000 1.229 1115 T CA -0.552 61.304 62.100 -0.406 0.000 1.044 1115 T CB 1.801 70.377 68.868 -0.487 0.000 1.184 1115 T HN 0.620 nan 8.240 nan 0.000 0.477 1116 E N 2.736 122.134 120.200 -1.336 0.000 2.316 1116 E HA 0.331 4.682 4.350 0.000 0.000 0.275 1116 E C -0.508 175.660 176.600 -0.722 0.000 1.029 1116 E CA -0.329 55.197 56.400 -1.457 0.000 0.871 1116 E CB 0.746 29.600 29.700 -1.410 0.000 1.022 1116 E HN 0.429 nan 8.360 nan 0.000 0.418 1117 Q N 2.422 121.882 119.800 -0.566 0.000 2.215 1117 Q HA 0.243 4.583 4.340 0.000 0.000 0.256 1117 Q C -1.131 174.725 176.000 -0.239 0.000 0.972 1117 Q CA -0.657 54.951 55.803 -0.325 0.000 0.889 1117 Q CB 1.311 29.910 28.738 -0.231 0.000 1.281 1117 Q HN 0.265 nan 8.270 nan 0.000 0.456 1118 K N 1.009 121.314 120.400 -0.158 0.000 2.449 1118 K HA 0.272 4.593 4.320 0.000 0.000 0.237 1118 K C -0.011 176.548 176.600 -0.069 0.000 1.265 1118 K CA 0.181 56.402 56.287 -0.110 0.000 1.193 1118 K CB -0.577 31.872 32.500 -0.085 0.000 1.515 1118 K HN 0.703 nan 8.250 nan 0.000 0.259 1119 G N 2.159 110.918 108.800 -0.068 0.000 2.862 1119 G HA2 0.065 4.025 3.960 0.000 0.000 0.303 1119 G HA3 0.065 4.025 3.960 0.000 0.000 0.303 1119 G C 0.350 175.269 174.900 0.032 0.000 0.335 1119 G CA 0.725 45.822 45.100 -0.005 0.000 1.186 1119 G HN 0.719 nan 8.290 nan 0.000 0.190 1120 L N -0.456 120.814 121.223 0.079 0.000 5.620 1120 L HA 0.440 4.780 4.340 0.000 0.000 0.568 1120 L C 0.555 177.489 176.870 0.107 0.000 0.669 1120 L CA 0.766 55.635 54.840 0.049 0.000 2.361 1120 L CB -0.614 41.415 42.059 -0.051 0.000 1.820 1120 L HN 0.868 nan 8.230 nan 0.000 0.571 1121 G N -0.768 108.201 108.800 0.282 0.000 3.021 1121 G HA2 0.768 4.728 3.960 0.000 0.000 0.290 1121 G HA3 0.768 4.728 3.960 0.000 0.000 0.290 1121 G C -0.742 174.406 174.900 0.413 0.000 1.291 1121 G CA -0.284 45.106 45.100 0.484 0.000 0.834 1121 G HN 0.414 nan 8.290 nan 0.000 0.564 1122 G N -1.649 107.330 108.800 0.299 0.000 3.251 1122 G HA2 0.574 4.534 3.960 0.000 0.000 0.248 1122 G HA3 0.574 4.534 3.960 0.000 0.000 0.248 1122 G C -1.315 173.666 174.900 0.136 0.000 1.320 1122 G CA -0.825 44.375 45.100 0.167 0.000 0.982 1122 G HN 0.550 nan 8.290 nan 0.000 0.575 1123 L N 0.828 122.124 121.223 0.121 0.000 2.287 1123 L HA 0.562 4.902 4.340 0.000 0.000 0.287 1123 L C -0.201 176.737 176.870 0.113 0.000 1.022 1123 L CA -0.422 54.488 54.840 0.117 0.000 0.814 1123 L CB 1.906 44.041 42.059 0.127 0.000 1.217 1123 L HN 0.529 nan 8.230 nan 0.000 0.420 1124 T N 4.765 119.383 114.554 0.107 0.000 2.881 1124 T HA 0.412 4.762 4.350 0.000 0.000 0.290 1124 T C -1.191 173.564 174.700 0.092 0.000 1.000 1124 T CA -0.503 61.656 62.100 0.098 0.000 0.978 1124 T CB 1.323 70.248 68.868 0.095 0.000 0.997 1124 T HN 0.284 nan 8.240 nan 0.000 0.443 1125 L N 5.315 126.590 121.223 0.086 0.000 2.295 1125 L HA 0.794 5.134 4.340 0.000 0.000 0.285 1125 L C -0.073 176.838 176.870 0.068 0.000 1.035 1125 L CA 0.115 55.003 54.840 0.080 0.000 0.806 1125 L CB 1.024 43.130 42.059 0.080 0.000 1.214 1125 L HN 1.015 nan 8.230 nan 0.000 0.426 1126 S N 2.823 118.560 115.700 0.062 0.000 2.794 1126 S HA 0.711 5.182 4.470 0.000 0.000 0.299 1126 S C -0.586 174.043 174.600 0.048 0.000 1.179 1126 S CA -0.644 57.588 58.200 0.053 0.000 0.838 1126 S CB 2.085 65.316 63.200 0.050 0.000 1.206 1126 S HN 0.547 nan 8.310 nan 0.000 0.523 1127 T N 2.348 116.927 114.554 0.042 0.000 2.824 1127 T HA 0.562 4.912 4.350 0.000 0.000 0.282 1127 T C -0.271 174.448 174.700 0.032 0.000 0.993 1127 T CA -0.721 61.401 62.100 0.037 0.000 0.967 1127 T CB 0.960 69.850 68.868 0.036 0.000 0.960 1127 T HN 0.831 nan 8.240 nan 0.000 0.441 1128 N N 1.616 120.333 118.700 0.029 0.000 2.294 1128 N HA 0.108 4.848 4.740 0.000 0.000 0.248 1128 N C 0.783 176.306 175.510 0.022 0.000 1.300 1128 N CA -0.496 52.569 53.050 0.025 0.000 0.925 1128 N CB 0.427 38.928 38.487 0.024 0.000 1.188 1128 N HN 0.598 nan 8.380 nan 0.000 0.512 1129 E N -1.407 118.804 120.200 0.018 0.000 2.333 1129 E HA -0.167 4.183 4.350 0.000 0.000 0.198 1129 E C 0.565 177.174 176.600 0.015 0.000 1.007 1129 E CA 0.763 57.173 56.400 0.016 0.000 0.845 1129 E CB -0.141 29.567 29.700 0.013 0.000 0.766 1129 E HN 0.590 nan 8.360 nan 0.000 0.507 1130 Q N -0.397 119.413 119.800 0.015 0.000 2.246 1130 Q HA 0.146 4.486 4.340 0.000 0.000 0.202 1130 Q C 1.043 177.051 176.000 0.014 0.000 0.883 1130 Q CA 0.579 56.390 55.803 0.013 0.000 0.952 1130 Q CB 0.502 29.248 28.738 0.013 0.000 1.078 1130 Q HN 0.258 nan 8.270 nan 0.000 0.493 1131 G N 1.568 110.378 108.800 0.017 0.000 2.153 1131 G HA2 -0.238 3.722 3.960 0.000 0.000 0.252 1131 G HA3 -0.238 3.722 3.960 0.000 0.000 0.252 1131 G C -0.219 174.692 174.900 0.019 0.000 0.994 1131 G CA 0.169 45.280 45.100 0.019 0.000 0.698 1131 G HN 0.371 nan 8.290 nan 0.000 0.521 1132 N N 0.665 119.376 118.700 0.018 0.000 2.456 1132 N HA 0.490 5.230 4.740 0.000 0.000 0.296 1132 N C -2.753 172.771 175.510 0.023 0.000 1.102 1132 N CA -1.586 51.473 53.050 0.016 0.000 0.924 1132 N CB 1.594 40.089 38.487 0.013 0.000 1.186 1132 N HN -0.050 nan 8.380 nan 0.000 0.492 1133 P HA 0.027 nan 4.420 nan 0.000 0.265 1133 P C -0.699 176.623 177.300 0.038 0.000 1.193 1133 P CA 0.585 63.702 63.100 0.029 0.000 0.765 1133 P CB 0.587 32.298 31.700 0.019 0.000 0.823 1134 E N 1.961 122.192 120.200 0.050 0.000 2.287 1134 E HA 0.386 4.736 4.350 0.000 0.000 0.274 1134 E C -1.800 174.846 176.600 0.077 0.000 0.896 1134 E CA -0.843 55.594 56.400 0.062 0.000 0.788 1134 E CB 1.697 31.428 29.700 0.051 0.000 1.244 1134 E HN 0.113 nan 8.360 nan 0.000 0.408 1135 V N 5.293 125.269 119.914 0.104 0.000 2.370 1135 V HA 0.432 4.552 4.120 0.000 0.000 0.279 1135 V C -0.695 175.457 176.094 0.096 0.000 1.029 1135 V CA -0.306 62.065 62.300 0.118 0.000 0.870 1135 V CB 0.685 32.616 31.823 0.179 0.000 0.984 1135 V HN 0.847 nan 8.190 nan 0.000 0.451 1136 c N 4.345 122.993 118.600 0.080 0.000 2.391 1136 c HA 0.622 5.192 4.570 0.000 0.000 0.339 1136 c C 0.955 175.083 174.090 0.063 0.000 1.205 1136 c CA -0.415 55.950 56.329 0.060 0.000 1.937 1136 c CB 1.308 43.852 42.510 0.056 0.000 2.341 1136 c HN 0.881 nan 8.230 nan 0.000 0.516 1137 S N 1.210 116.934 115.700 0.041 0.000 2.617 1137 S HA 0.274 4.745 4.470 0.000 0.000 0.237 1137 S C -0.154 174.475 174.600 0.049 0.000 1.142 1137 S CA -0.115 58.113 58.200 0.047 0.000 1.167 1137 S CB -0.568 62.633 63.200 0.002 0.000 1.068 1137 S HN 0.966 nan 8.310 nan 0.000 0.470 1138 S N 0.882 116.618 115.700 0.061 0.000 3.407 1138 S HA -0.051 4.420 4.470 0.000 0.000 0.394 1138 S C 1.160 175.762 174.600 0.003 0.000 0.801 1138 S CA 0.894 59.120 58.200 0.043 0.000 1.347 1138 S CB -1.418 61.829 63.200 0.078 0.000 1.257 1138 S HN 1.691 nan 8.310 nan 0.000 0.618 1139 G N 1.368 110.161 108.800 -0.011 0.000 2.380 1139 G HA2 -0.043 3.917 3.960 0.000 0.000 0.197 1139 G HA3 -0.043 3.917 3.960 0.000 0.000 0.197 1139 G C -0.275 174.608 174.900 -0.028 0.000 1.001 1139 G CA 0.260 45.343 45.100 -0.028 0.000 0.668 1139 G HN 1.022 nan 8.290 nan 0.000 0.483 1140 E N -0.825 119.363 120.200 -0.020 0.000 2.431 1140 E HA 0.475 4.825 4.350 0.000 0.000 0.287 1140 E C -1.308 175.287 176.600 -0.008 0.000 1.032 1140 E CA -0.609 55.778 56.400 -0.022 0.000 0.839 1140 E CB 0.904 30.576 29.700 -0.046 0.000 1.218 1140 E HN 0.292 nan 8.360 nan 0.000 0.424 1141 c N 3.806 122.408 118.600 0.004 0.000 2.382 1141 c HA 0.633 5.203 4.570 0.000 0.000 0.327 1141 c C -0.488 173.619 174.090 0.028 0.000 1.250 1141 c CA -0.607 55.736 56.329 0.024 0.000 1.707 1141 c CB 0.093 42.621 42.510 0.031 0.000 2.272 1141 c HN 0.518 nan 8.230 nan 0.000 0.506 1142 L N 2.797 124.054 121.223 0.057 0.000 2.343 1142 L HA 0.389 4.729 4.340 0.000 0.000 0.278 1142 L C 0.619 177.560 176.870 0.119 0.000 0.996 1142 L CA 0.014 54.905 54.840 0.086 0.000 0.831 1142 L CB 1.564 43.691 42.059 0.114 0.000 1.232 1142 L HN 0.774 nan 8.230 nan 0.000 0.413 1143 T N 2.980 117.584 114.554 0.084 0.000 2.940 1143 T HA 0.350 4.700 4.350 0.000 0.000 0.309 1143 T C -0.109 174.638 174.700 0.078 0.000 1.056 1143 T CA -0.370 61.771 62.100 0.068 0.000 1.137 1143 T CB 0.549 69.444 68.868 0.046 0.000 0.976 1143 T HN 0.429 nan 8.240 nan 0.000 0.547 1144 V N 2.615 122.555 119.914 0.043 0.000 3.001 1144 V HA 0.710 4.830 4.120 0.000 0.000 0.314 1144 V C -0.442 175.634 176.094 -0.031 0.000 1.099 1144 V CA -1.385 60.905 62.300 -0.017 0.000 0.989 1144 V CB 2.026 33.814 31.823 -0.058 0.000 1.040 1144 V HN 0.895 nan 8.190 nan 0.000 0.434 1145 N N 2.597 121.267 118.700 -0.050 0.000 2.558 1145 N HA 0.543 5.283 4.740 0.000 0.000 0.242 1145 N C -2.061 173.423 175.510 -0.042 0.000 0.979 1145 N CA -2.309 50.716 53.050 -0.041 0.000 0.931 1145 N CB 1.743 40.228 38.487 -0.004 0.000 1.122 1145 N HN 0.418 nan 8.380 nan 0.000 0.508 1146 P HA 0.105 nan 4.420 nan 0.000 0.226 1146 P C -0.165 176.996 177.300 -0.231 0.000 1.146 1146 P CA 0.783 63.840 63.100 -0.072 0.000 0.773 1146 P CB -0.113 31.553 31.700 -0.057 0.000 0.772 1147 G N -1.554 106.876 108.800 -0.616 0.000 2.428 1147 G HA2 0.029 3.989 3.960 0.000 0.000 0.681 1147 G HA3 0.029 3.989 3.960 0.000 0.000 0.681 1147 G C -3.040 171.441 174.900 -0.700 0.000 1.340 1147 G CA -1.105 43.178 45.100 -1.363 0.000 0.915 1147 G HN -0.212 nan 8.290 nan 0.000 0.645 1148 P HA 0.000 nan 4.420 nan 0.000 0.216 1148 P CA 0.000 62.929 63.100 -0.284 0.000 0.800 1148 P CB 0.000 31.587 31.700 -0.189 0.000 0.726