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 3hs8_1_A DATA FIRST_RESID 701 DATA SEQUENCE FEDNFARFVC KNNGVLFENQ LLQIGLKSEF RQNLGRMFIF YGNKTSTQFL DATA SEQUENCE NFTPTLICAD DLQTNLNLQT KPVDPTVDGG AQVQQVVNIE CISDFTEAPV DATA SEQUENCE LNIQFRYGGT FQNVSVKLPI TLNKFFQPTE MASQDFFQRW KQLSNPQQEV DATA SEQUENCE QNIFKAKHPM DTEITKAKII GFGSALLEEV DPNPANFVGA GIIHTKTTQI DATA SEQUENCE GCLLRLEPNL QAQMYRLTLR TSKDTVSQRL CELLSEQF 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 701 F HA 0.000 nan 4.527 nan 0.000 0.279 701 F C 0.000 175.697 175.800 -0.172 0.000 0.967 701 F CA 0.000 57.895 58.000 -0.175 0.000 1.383 701 F CB 0.000 38.926 39.000 -0.123 0.000 1.145 702 E N 1.730 121.781 120.200 -0.249 0.000 2.176 702 E HA 0.260 4.609 4.350 -0.001 0.000 0.267 702 E C -1.970 174.644 176.600 0.022 0.000 0.893 702 E CA -0.776 55.510 56.400 -0.190 0.000 0.761 702 E CB 1.830 31.448 29.700 -0.137 0.000 1.133 702 E HN 0.609 nan 8.360 nan 0.000 0.409 703 D N 3.122 123.633 120.400 0.186 0.000 2.481 703 D HA 0.209 4.848 4.640 -0.001 0.000 0.246 703 D C -0.637 175.842 176.300 0.299 0.000 1.109 703 D CA -0.365 53.880 54.000 0.409 0.000 0.845 703 D CB 0.762 41.886 40.800 0.540 0.000 1.160 703 D HN 0.425 nan 8.370 nan 0.000 0.534 704 N N 2.883 121.791 118.700 0.345 0.000 2.234 704 N HA 0.073 4.813 4.740 -0.001 0.000 0.227 704 N C 1.055 176.837 175.510 0.452 0.000 1.151 704 N CA -0.384 52.869 53.050 0.338 0.000 0.865 704 N CB 0.439 39.131 38.487 0.341 0.000 1.066 704 N HN 0.314 nan 8.380 nan 0.000 0.515 705 F N 2.277 122.387 119.950 0.267 0.000 2.087 705 F HA -0.263 4.263 4.527 -0.001 0.000 0.299 705 F C 2.122 178.082 175.800 0.267 0.000 1.100 705 F CA 1.731 59.858 58.000 0.212 0.000 1.226 705 F CB -0.175 38.898 39.000 0.122 0.000 0.983 705 F HN 0.070 nan 8.300 nan 0.000 0.479 706 A N 0.663 123.467 122.820 -0.027 0.000 2.216 706 A HA -0.058 4.262 4.320 -0.001 0.000 0.214 706 A C 1.801 179.316 177.584 -0.115 0.000 1.160 706 A CA 0.795 52.717 52.037 -0.193 0.000 0.725 706 A CB -0.739 18.285 19.000 0.040 0.000 0.784 706 A HN 0.569 nan 8.150 nan 0.000 0.472 707 R N -1.579 118.920 120.500 -0.001 0.000 2.480 707 R HA 0.254 4.593 4.340 -0.001 0.000 0.277 707 R C -0.505 175.669 176.300 -0.210 0.000 1.008 707 R CA 0.066 56.111 56.100 -0.093 0.000 1.090 707 R CB -0.287 29.951 30.300 -0.103 0.000 1.234 707 R HN 0.497 nan 8.270 nan 0.000 0.549 708 F N -0.628 119.203 119.950 -0.198 0.000 2.735 708 F HA 0.147 4.674 4.527 -0.001 0.000 0.308 708 F C 1.621 177.321 175.800 -0.168 0.000 1.112 708 F CA -0.307 57.603 58.000 -0.150 0.000 1.235 708 F CB 0.885 39.818 39.000 -0.112 0.000 1.027 708 F HN -0.242 nan 8.300 nan 0.000 0.528 709 V N -1.157 118.724 119.914 -0.055 0.000 2.427 709 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 709 V C 1.403 177.499 176.094 0.002 0.000 1.051 709 V CA 1.613 63.890 62.300 -0.037 0.000 1.048 709 V CB -0.300 31.513 31.823 -0.016 0.000 0.666 709 V HN 0.499 nan 8.190 nan 0.000 0.456 710 C N 0.124 119.406 119.300 -0.029 0.000 2.994 710 C HA 0.400 4.859 4.460 -0.001 0.000 0.284 710 C C 0.707 175.668 174.990 -0.049 0.000 1.404 710 C CA -0.793 58.219 59.018 -0.010 0.000 1.775 710 C CB -1.394 26.323 27.740 -0.038 0.000 2.458 710 C HN 0.694 nan 8.230 nan 0.000 0.593 711 K N -0.787 119.575 120.400 -0.063 0.000 2.533 711 K HA 0.502 4.822 4.320 -0.001 0.000 0.272 711 K C -0.520 176.126 176.600 0.075 0.000 0.985 711 K CA -0.555 55.697 56.287 -0.059 0.000 0.876 711 K CB 0.881 33.267 32.500 -0.190 0.000 1.452 711 K HN -0.272 nan 8.250 nan 0.000 0.439 712 N N -0.242 118.540 118.700 0.137 0.000 2.227 712 N HA 0.136 4.875 4.740 -0.001 0.000 0.196 712 N C -1.170 174.578 175.510 0.396 0.000 1.142 712 N CA -0.097 53.136 53.050 0.305 0.000 0.887 712 N CB 0.186 38.827 38.487 0.257 0.000 1.022 712 N HN 0.586 nan 8.380 nan 0.000 0.500 713 N N -0.705 118.166 118.700 0.284 0.000 2.235 713 N HA 0.731 5.470 4.740 -0.001 0.000 0.293 713 N C -0.302 175.315 175.510 0.180 0.000 1.083 713 N CA -0.672 52.542 53.050 0.273 0.000 0.801 713 N CB 2.738 41.291 38.487 0.110 0.000 1.559 713 N HN 0.027 nan 8.380 nan 0.000 0.472 714 G N -0.552 108.418 108.800 0.283 0.000 2.345 714 G HA2 0.143 4.103 3.960 -0.001 0.000 0.285 714 G HA3 0.143 4.103 3.960 -0.001 0.000 0.285 714 G C -1.833 173.251 174.900 0.306 0.000 1.297 714 G CA -0.812 44.389 45.100 0.168 0.000 0.875 714 G HN 0.388 nan 8.290 nan 0.000 0.506 715 V N 1.372 121.419 119.914 0.221 0.000 2.455 715 V HA 0.264 4.383 4.120 -0.001 0.000 0.273 715 V C 1.558 177.876 176.094 0.373 0.000 1.045 715 V CA 0.166 62.602 62.300 0.227 0.000 0.976 715 V CB 1.111 33.010 31.823 0.125 0.000 0.993 715 V HN 0.770 nan 8.190 nan 0.000 0.475 716 L N 5.890 127.308 121.223 0.324 0.000 2.127 716 L HA 0.392 4.731 4.340 -0.001 0.000 0.203 716 L C 0.188 177.287 176.870 0.382 0.000 1.080 716 L CA 1.532 56.552 54.840 0.299 0.000 0.768 716 L CB 0.042 42.162 42.059 0.103 0.000 0.924 716 L HN 0.562 nan 8.230 nan 0.000 0.444 717 F N -0.489 119.573 119.950 0.188 0.000 2.628 717 F HA 0.534 5.060 4.527 -0.001 0.000 0.309 717 F C -0.992 174.920 175.800 0.187 0.000 1.108 717 F CA -0.661 57.461 58.000 0.203 0.000 0.971 717 F CB 1.238 40.352 39.000 0.191 0.000 1.279 717 F HN -0.047 nan 8.300 nan 0.000 0.441 718 E N 4.136 123.980 120.200 -0.593 0.000 2.321 718 E HA 0.332 4.682 4.350 -0.001 0.000 0.281 718 E C -1.718 174.564 176.600 -0.531 0.000 0.910 718 E CA -0.677 55.508 56.400 -0.360 0.000 0.770 718 E CB 1.584 31.224 29.700 -0.101 0.000 1.225 718 E HN 0.763 nan 8.360 nan 0.000 0.417 719 N N 1.236 119.802 118.700 -0.223 0.000 3.379 719 N HA 0.053 4.793 4.740 -0.001 0.000 0.350 719 N C 0.723 176.262 175.510 0.048 0.000 1.553 719 N CA -0.363 52.662 53.050 -0.042 0.000 0.712 719 N CB -0.057 38.490 38.487 0.101 0.000 1.880 719 N HN 0.513 nan 8.380 nan 0.000 0.648 720 Q N -0.735 119.113 119.800 0.080 0.000 2.224 720 Q HA 0.048 4.387 4.340 -0.001 0.000 0.203 720 Q C 0.999 177.057 176.000 0.097 0.000 0.970 720 Q CA 1.231 57.081 55.803 0.079 0.000 0.865 720 Q CB -0.239 28.548 28.738 0.082 0.000 0.922 720 Q HN 0.632 nan 8.270 nan 0.000 0.445 721 L N -0.315 120.979 121.223 0.118 0.000 2.221 721 L HA 0.257 4.596 4.340 -0.001 0.000 0.202 721 L C 0.643 177.676 176.870 0.271 0.000 1.074 721 L CA 0.002 54.926 54.840 0.141 0.000 0.795 721 L CB 0.370 42.435 42.059 0.011 0.000 0.960 721 L HN 0.199 nan 8.230 nan 0.000 0.458 722 L N -0.123 121.259 121.223 0.266 0.000 2.408 722 L HA 0.400 4.740 4.340 -0.001 0.000 0.268 722 L C -0.737 176.303 176.870 0.283 0.000 0.986 722 L CA -0.108 54.929 54.840 0.328 0.000 0.820 722 L CB 1.894 44.180 42.059 0.378 0.000 1.303 722 L HN -0.046 nan 8.230 nan 0.000 0.411 723 Q N 4.628 124.570 119.800 0.237 0.000 2.293 723 Q HA 0.568 4.907 4.340 -0.001 0.000 0.261 723 Q C -1.481 174.678 176.000 0.265 0.000 0.960 723 Q CA -0.591 55.338 55.803 0.209 0.000 0.882 723 Q CB 1.494 30.303 28.738 0.119 0.000 1.275 723 Q HN 0.770 nan 8.270 nan 0.000 0.445 724 I N 3.887 124.641 120.570 0.308 0.000 2.388 724 I HA 0.371 4.541 4.170 -0.001 0.000 0.281 724 I C 0.484 176.713 176.117 0.187 0.000 1.046 724 I CA -0.611 60.837 61.300 0.247 0.000 1.187 724 I CB 1.274 39.464 38.000 0.315 0.000 1.351 724 I HN 0.635 nan 8.210 nan 0.000 0.472 725 G N 5.895 114.790 108.800 0.157 0.000 2.477 725 G HA2 0.715 4.674 3.960 -0.001 0.000 0.304 725 G HA3 0.715 4.674 3.960 -0.001 0.000 0.304 725 G C -1.231 173.811 174.900 0.235 0.000 1.175 725 G CA -0.455 44.736 45.100 0.152 0.000 0.907 725 G HN 0.483 nan 8.290 nan 0.000 0.509 726 L N -0.346 121.015 121.223 0.229 0.000 2.493 726 L HA 0.641 4.980 4.340 -0.001 0.000 0.265 726 L C -0.860 176.181 176.870 0.285 0.000 0.954 726 L CA -0.750 54.250 54.840 0.266 0.000 0.844 726 L CB 1.967 44.087 42.059 0.101 0.000 1.302 726 L HN 0.531 nan 8.230 nan 0.000 0.405 727 K N 2.594 123.218 120.400 0.373 0.000 2.375 727 K HA 0.836 5.155 4.320 -0.001 0.000 0.249 727 K C -1.255 175.539 176.600 0.323 0.000 0.942 727 K CA -0.732 55.737 56.287 0.304 0.000 0.806 727 K CB 2.237 34.882 32.500 0.242 0.000 1.227 727 K HN 0.639 nan 8.250 nan 0.000 0.430 728 S N 0.443 116.286 115.700 0.239 0.000 2.579 728 S HA 0.528 4.997 4.470 -0.001 0.000 0.272 728 S C -1.516 173.112 174.600 0.046 0.000 1.141 728 S CA -1.070 57.200 58.200 0.116 0.000 0.843 728 S CB 1.887 65.159 63.200 0.121 0.000 1.122 728 S HN 0.660 nan 8.310 nan 0.000 0.468 729 E N 0.628 120.684 120.200 -0.241 0.000 2.356 729 E HA 0.741 5.090 4.350 -0.001 0.000 0.275 729 E C -1.830 174.419 176.600 -0.586 0.000 0.904 729 E CA -0.922 55.374 56.400 -0.173 0.000 0.757 729 E CB 1.513 31.196 29.700 -0.028 0.000 1.232 729 E HN 0.510 nan 8.360 nan 0.000 0.442 730 F N 0.437 120.385 119.950 -0.003 0.000 2.601 730 F HA 0.608 5.134 4.527 -0.002 0.000 0.309 730 F C -0.275 175.523 175.800 -0.004 0.000 1.089 730 F CA -0.806 57.179 58.000 -0.026 0.000 0.940 730 F CB 2.819 41.733 39.000 -0.142 0.000 1.273 730 F HN 0.453 nan 8.300 nan 0.000 0.450 731 R N 2.541 123.159 120.500 0.197 0.000 2.515 731 R HA 0.383 4.723 4.340 -0.001 0.000 0.278 731 R C -0.598 175.736 176.300 0.056 0.000 1.107 731 R CA -0.208 55.943 56.100 0.085 0.000 0.945 731 R CB 1.518 31.840 30.300 0.037 0.000 1.219 731 R HN 0.959 nan 8.270 nan 0.000 0.434 732 Q N 1.106 120.825 119.800 -0.135 0.000 1.669 732 Q HA -0.357 3.982 4.340 -0.001 0.000 0.383 732 Q C 0.110 176.211 176.000 0.167 0.000 0.879 732 Q CA 2.039 57.616 55.803 -0.378 0.000 0.787 732 Q CB -0.911 27.661 28.738 -0.276 0.000 3.896 732 Q HN 0.889 nan 8.270 nan 0.000 0.687 733 N N 1.460 120.287 118.700 0.211 0.000 2.313 733 N HA 0.123 4.862 4.740 -0.001 0.000 0.207 733 N C -0.264 175.406 175.510 0.267 0.000 1.141 733 N CA 0.382 53.573 53.050 0.235 0.000 0.830 733 N CB 0.101 38.627 38.487 0.065 0.000 1.008 733 N HN 0.265 nan 8.380 nan 0.000 0.481 734 L N -0.655 120.802 121.223 0.390 0.000 2.341 734 L HA 0.793 5.133 4.340 -0.001 0.000 0.267 734 L C 0.320 177.430 176.870 0.400 0.000 1.009 734 L CA -1.140 53.898 54.840 0.330 0.000 0.819 734 L CB 2.160 44.298 42.059 0.131 0.000 1.323 734 L HN 0.055 nan 8.230 nan 0.000 0.425 735 G N 0.586 109.507 108.800 0.202 0.000 2.695 735 G HA2 0.686 4.645 3.960 -0.001 0.000 0.290 735 G HA3 0.686 4.645 3.960 -0.001 0.000 0.290 735 G C -2.016 172.682 174.900 -0.336 0.000 1.410 735 G CA -0.602 44.316 45.100 -0.304 0.000 0.844 735 G HN 0.484 nan 8.290 nan 0.000 0.478 736 R N 0.009 120.195 120.500 -0.524 0.000 2.621 736 R HA 0.672 5.012 4.340 -0.001 0.000 0.284 736 R C -1.324 174.695 176.300 -0.468 0.000 0.998 736 R CA -0.775 55.067 56.100 -0.430 0.000 0.895 736 R CB 2.002 32.093 30.300 -0.349 0.000 1.195 736 R HN 0.571 nan 8.270 nan 0.000 0.450 737 M N 4.778 124.104 119.600 -0.458 0.000 2.259 737 M HA 0.438 4.917 4.480 -0.001 0.000 0.304 737 M C -1.848 174.222 176.300 -0.383 0.000 1.019 737 M CA -0.526 54.611 55.300 -0.272 0.000 0.922 737 M CB 1.307 33.826 32.600 -0.136 0.000 1.600 737 M HN 0.522 nan 8.290 nan 0.000 0.433 738 F N 5.911 125.829 119.950 -0.053 0.000 2.411 738 F HA 0.529 5.056 4.527 -0.001 0.000 0.352 738 F C -0.409 175.301 175.800 -0.149 0.000 1.123 738 F CA -0.462 57.453 58.000 -0.142 0.000 1.044 738 F CB 0.999 39.968 39.000 -0.052 0.000 1.135 738 F HN 0.394 nan 8.300 nan 0.000 0.461 739 I N 3.997 124.436 120.570 -0.218 0.000 2.377 739 I HA 0.351 4.520 4.170 -0.001 0.000 0.293 739 I C -0.986 174.795 176.117 -0.560 0.000 0.987 739 I CA -0.530 60.601 61.300 -0.280 0.000 1.185 739 I CB 1.248 39.019 38.000 -0.382 0.000 1.341 739 I HN 0.386 nan 8.210 nan 0.000 0.455 740 F N 5.453 125.198 119.950 -0.342 0.000 2.403 740 F HA 0.402 4.929 4.527 -0.001 0.000 0.355 740 F C -0.670 174.958 175.800 -0.287 0.000 1.119 740 F CA -0.636 57.222 58.000 -0.237 0.000 1.007 740 F CB 0.919 39.869 39.000 -0.083 0.000 1.194 740 F HN 0.260 nan 8.300 nan 0.000 0.443 741 Y N 1.841 122.203 120.300 0.103 0.000 2.477 741 Y HA 0.491 5.040 4.550 -0.001 0.000 0.349 741 Y C 0.716 176.597 175.900 -0.031 0.000 0.977 741 Y CA -1.216 56.893 58.100 0.016 0.000 1.214 741 Y CB 1.078 39.435 38.460 -0.171 0.000 1.124 741 Y HN 0.632 nan 8.280 nan 0.000 0.521 742 G N 3.188 112.080 108.800 0.153 0.000 2.335 742 G HA2 0.121 4.080 3.960 -0.001 0.000 0.314 742 G HA3 0.121 4.080 3.960 -0.001 0.000 0.314 742 G C -0.587 174.327 174.900 0.023 0.000 1.129 742 G CA -0.746 44.390 45.100 0.060 0.000 0.912 742 G HN 0.512 nan 8.290 nan 0.000 0.443 743 N N 2.074 120.684 118.700 -0.150 0.000 2.415 743 N HA 0.107 4.846 4.740 -0.001 0.000 0.246 743 N C 0.887 176.305 175.510 -0.154 0.000 1.078 743 N CA -0.238 52.605 53.050 -0.344 0.000 0.942 743 N CB 1.081 39.102 38.487 -0.777 0.000 1.140 743 N HN 0.468 nan 8.380 nan 0.000 0.501 744 K N 0.765 121.158 120.400 -0.012 0.000 2.444 744 K HA 0.024 4.343 4.320 -0.001 0.000 0.193 744 K C 0.845 177.455 176.600 0.017 0.000 1.024 744 K CA 0.274 56.570 56.287 0.015 0.000 1.077 744 K CB 0.222 32.757 32.500 0.059 0.000 0.833 744 K HN 0.621 nan 8.250 nan 0.000 0.517 745 T N -3.605 110.947 114.554 -0.004 0.000 2.892 745 T HA 0.177 4.526 4.350 -0.001 0.000 0.280 745 T C 0.877 175.595 174.700 0.030 0.000 1.004 745 T CA -0.814 61.324 62.100 0.062 0.000 0.950 745 T CB 1.620 70.596 68.868 0.179 0.000 1.309 745 T HN -0.180 nan 8.240 nan 0.000 0.592 746 S N -0.743 115.016 115.700 0.098 0.000 2.539 746 S HA 0.308 4.777 4.470 -0.001 0.000 0.221 746 S C 0.008 174.653 174.600 0.074 0.000 0.987 746 S CA -0.501 57.734 58.200 0.059 0.000 0.929 746 S CB -0.359 62.877 63.200 0.061 0.000 0.832 746 S HN 0.799 nan 8.310 nan 0.000 0.492 747 T N 2.769 117.418 114.554 0.159 0.000 2.856 747 T HA 0.355 4.704 4.350 -0.001 0.000 0.283 747 T C -0.623 174.165 174.700 0.146 0.000 1.008 747 T CA -0.735 61.479 62.100 0.191 0.000 0.997 747 T CB 1.637 70.679 68.868 0.290 0.000 0.992 747 T HN 0.434 nan 8.240 nan 0.000 0.454 748 Q N 2.115 121.966 119.800 0.086 0.000 2.352 748 Q HA 0.319 4.659 4.340 -0.001 0.000 0.260 748 Q C -1.030 175.112 176.000 0.237 0.000 0.976 748 Q CA -0.258 55.548 55.803 0.005 0.000 0.881 748 Q CB 0.274 29.015 28.738 0.005 0.000 1.235 748 Q HN 0.383 nan 8.270 nan 0.000 0.419 749 F N 1.566 121.562 119.950 0.077 0.000 2.389 749 F HA 0.481 5.007 4.527 -0.001 0.000 0.337 749 F C 0.283 176.168 175.800 0.142 0.000 1.112 749 F CA -1.262 56.824 58.000 0.144 0.000 1.192 749 F CB 0.416 39.312 39.000 -0.173 0.000 1.185 749 F HN 0.545 nan 8.300 nan 0.000 0.552 750 L N 1.490 122.985 121.223 0.453 0.000 2.350 750 L HA 0.425 4.765 4.340 -0.001 0.000 0.260 750 L C 0.047 177.095 176.870 0.296 0.000 1.015 750 L CA -0.821 54.195 54.840 0.293 0.000 0.821 750 L CB 1.818 44.011 42.059 0.224 0.000 1.370 750 L HN 0.718 nan 8.230 nan 0.000 0.416 751 N N 1.777 120.602 118.700 0.209 0.000 2.707 751 N HA -0.304 4.436 4.740 -0.001 0.000 0.253 751 N C -0.933 174.691 175.510 0.190 0.000 0.998 751 N CA 0.603 53.753 53.050 0.167 0.000 0.751 751 N CB -0.965 37.605 38.487 0.139 0.000 0.920 751 N HN 0.354 nan 8.380 nan 0.000 0.539 752 F N 0.945 120.936 119.950 0.068 0.000 2.462 752 F HA 0.145 4.671 4.527 -0.001 0.000 0.360 752 F C 0.295 176.063 175.800 -0.054 0.000 1.134 752 F CA 0.247 58.250 58.000 0.004 0.000 1.148 752 F CB 0.559 39.494 39.000 -0.108 0.000 1.147 752 F HN -0.068 nan 8.300 nan 0.000 0.550 753 T N 7.619 121.981 114.554 -0.320 0.000 3.150 753 T HA 0.254 4.604 4.350 -0.001 0.000 0.383 753 T C -2.632 171.879 174.700 -0.315 0.000 1.313 753 T CA -1.340 60.631 62.100 -0.216 0.000 1.235 753 T CB 0.622 69.434 68.868 -0.093 0.000 1.088 753 T HN 0.241 nan 8.240 nan 0.000 0.556 754 P HA 0.290 nan 4.420 nan 0.000 0.267 754 P C -0.509 176.726 177.300 -0.108 0.000 1.205 754 P CA -0.117 62.844 63.100 -0.231 0.000 0.765 754 P CB 0.408 32.047 31.700 -0.103 0.000 0.828 755 T N 4.114 118.608 114.554 -0.100 0.000 2.812 755 T HA 0.457 4.806 4.350 -0.001 0.000 0.282 755 T C -0.035 174.632 174.700 -0.054 0.000 0.990 755 T CA -0.599 61.460 62.100 -0.068 0.000 0.960 755 T CB 0.514 69.338 68.868 -0.074 0.000 0.948 755 T HN 0.138 nan 8.240 nan 0.000 0.438 756 L N 3.923 125.121 121.223 -0.041 0.000 2.305 756 L HA 0.594 4.933 4.340 -0.001 0.000 0.281 756 L C -0.379 176.463 176.870 -0.047 0.000 1.085 756 L CA -0.721 54.095 54.840 -0.040 0.000 0.813 756 L CB 0.500 42.539 42.059 -0.033 0.000 1.157 756 L HN 0.508 nan 8.230 nan 0.000 0.436 757 I N 2.224 122.763 120.570 -0.052 0.000 2.436 757 I HA 0.330 4.499 4.170 -0.001 0.000 0.289 757 I C -0.740 175.346 176.117 -0.052 0.000 1.010 757 I CA -0.210 61.059 61.300 -0.052 0.000 1.098 757 I CB 2.030 39.997 38.000 -0.055 0.000 1.266 757 I HN 0.559 nan 8.210 nan 0.000 0.434 758 C N 5.830 125.101 119.300 -0.048 0.000 2.322 758 C HA 0.739 5.199 4.460 -0.001 0.000 0.324 758 C C 0.932 175.900 174.990 -0.036 0.000 1.249 758 C CA -0.722 58.267 59.018 -0.048 0.000 1.453 758 C CB 0.437 28.142 27.740 -0.058 0.000 2.145 758 C HN 0.872 nan 8.230 nan 0.000 0.466 759 A N 2.744 125.547 122.820 -0.028 0.000 2.475 759 A HA 0.128 4.447 4.320 -0.001 0.000 0.239 759 A C 1.508 179.085 177.584 -0.012 0.000 1.087 759 A CA 0.333 52.359 52.037 -0.018 0.000 0.779 759 A CB 0.159 19.152 19.000 -0.010 0.000 1.036 759 A HN 0.959 nan 8.150 nan 0.000 0.506 760 D N 0.033 120.428 120.400 -0.008 0.000 2.708 760 D HA -0.236 4.404 4.640 -0.001 0.000 0.217 760 D C 1.094 177.392 176.300 -0.003 0.000 1.094 760 D CA 2.425 56.421 54.000 -0.006 0.000 0.941 760 D CB -0.112 40.686 40.800 -0.003 0.000 1.220 760 D HN 0.648 nan 8.370 nan 0.000 0.495 761 D N 0.102 120.507 120.400 0.008 0.000 2.182 761 D HA -0.146 4.494 4.640 -0.001 0.000 0.201 761 D C 2.136 178.443 176.300 0.012 0.000 0.986 761 D CA 0.248 54.257 54.000 0.015 0.000 0.847 761 D CB -0.335 40.483 40.800 0.031 0.000 0.942 761 D HN 0.198 nan 8.370 nan 0.000 0.467 762 L N 1.119 122.348 121.223 0.010 0.000 2.131 762 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 762 L C 2.205 179.041 176.870 -0.058 0.000 1.092 762 L CA 1.601 56.436 54.840 -0.008 0.000 0.759 762 L CB -0.588 41.464 42.059 -0.011 0.000 0.903 762 L HN -0.040 nan 8.230 nan 0.000 0.435 763 Q N -1.278 118.494 119.800 -0.046 0.000 2.224 763 Q HA -0.172 4.167 4.340 -0.001 0.000 0.203 763 Q C 1.800 177.767 176.000 -0.054 0.000 0.970 763 Q CA 1.840 57.609 55.803 -0.056 0.000 0.865 763 Q CB 0.007 28.720 28.738 -0.042 0.000 0.922 763 Q HN 0.737 nan 8.270 nan 0.000 0.445 764 T N -3.602 110.929 114.554 -0.038 0.000 3.067 764 T HA 0.057 4.406 4.350 -0.001 0.000 0.261 764 T C 0.959 175.637 174.700 -0.037 0.000 1.110 764 T CA 1.060 63.141 62.100 -0.032 0.000 1.113 764 T CB -0.066 68.793 68.868 -0.016 0.000 0.917 764 T HN 0.297 nan 8.240 nan 0.000 0.499 765 N N -0.142 118.531 118.700 -0.045 0.000 2.368 765 N HA 0.346 5.086 4.740 -0.001 0.000 0.178 765 N C -0.636 174.787 175.510 -0.145 0.000 1.076 765 N CA -0.126 52.901 53.050 -0.039 0.000 0.889 765 N CB 0.570 39.092 38.487 0.059 0.000 1.040 765 N HN 0.214 nan 8.380 nan 0.000 0.463 766 L N 0.841 121.939 121.223 -0.208 0.000 2.528 766 L HA 0.414 4.753 4.340 -0.001 0.000 0.267 766 L C -1.721 175.034 176.870 -0.192 0.000 0.961 766 L CA -0.676 53.975 54.840 -0.315 0.000 0.866 766 L CB 1.533 43.224 42.059 -0.613 0.000 1.248 766 L HN -0.120 nan 8.230 nan 0.000 0.404 767 N N 5.153 123.765 118.700 -0.146 0.000 2.408 767 N HA 0.654 5.393 4.740 -0.001 0.000 0.280 767 N C -1.762 173.705 175.510 -0.071 0.000 1.002 767 N CA -0.278 52.716 53.050 -0.093 0.000 0.907 767 N CB 1.058 39.501 38.487 -0.074 0.000 1.161 767 N HN 0.641 nan 8.380 nan 0.000 0.488 768 L N 2.254 123.440 121.223 -0.063 0.000 2.333 768 L HA 0.500 4.839 4.340 -0.001 0.000 0.280 768 L C -0.266 176.575 176.870 -0.049 0.000 1.004 768 L CA -0.776 54.033 54.840 -0.051 0.000 0.820 768 L CB 1.881 43.910 42.059 -0.050 0.000 1.247 768 L HN 0.471 nan 8.230 nan 0.000 0.416 769 Q N 2.383 122.152 119.800 -0.052 0.000 2.356 769 Q HA 0.601 4.940 4.340 -0.001 0.000 0.270 769 Q C -1.541 174.423 176.000 -0.060 0.000 1.058 769 Q CA -0.153 55.620 55.803 -0.050 0.000 0.802 769 Q CB 2.937 31.647 28.738 -0.047 0.000 1.303 769 Q HN 0.707 nan 8.270 nan 0.000 0.444 770 T N 2.087 116.612 114.554 -0.049 0.000 2.816 770 T HA 0.544 4.893 4.350 -0.001 0.000 0.299 770 T C -1.373 173.306 174.700 -0.034 0.000 1.230 770 T CA -0.458 61.612 62.100 -0.050 0.000 1.007 770 T CB 1.719 70.562 68.868 -0.041 0.000 1.289 770 T HN 0.533 nan 8.240 nan 0.000 0.508 771 K N 1.651 122.034 120.400 -0.029 0.000 2.139 771 K HA 0.675 4.994 4.320 -0.001 0.000 0.243 771 K C -2.260 174.340 176.600 -0.000 0.000 0.983 771 K CA -2.064 54.214 56.287 -0.015 0.000 0.890 771 K CB 0.952 33.442 32.500 -0.016 0.000 1.090 771 K HN 0.402 nan 8.250 nan 0.000 0.445 772 P HA 0.035 nan 4.420 nan 0.000 0.275 772 P C -0.763 176.554 177.300 0.027 0.000 1.228 772 P CA -0.445 62.663 63.100 0.014 0.000 0.786 772 P CB 0.837 32.543 31.700 0.010 0.000 0.927 773 V N -1.532 118.409 119.914 0.045 0.000 3.193 773 V HA 0.427 4.546 4.120 -0.001 0.000 0.320 773 V C 0.079 176.205 176.094 0.053 0.000 1.112 773 V CA -0.997 61.338 62.300 0.059 0.000 1.026 773 V CB 0.750 32.636 31.823 0.106 0.000 1.128 773 V HN 0.405 nan 8.190 nan 0.000 0.452 774 D N 2.539 122.963 120.400 0.039 0.000 2.752 774 D HA 0.001 4.641 4.640 -0.001 0.000 0.225 774 D C -1.713 174.625 176.300 0.063 0.000 1.104 774 D CA 0.231 54.247 54.000 0.027 0.000 0.832 774 D CB 1.479 42.270 40.800 -0.015 0.000 1.161 774 D HN 0.552 nan 8.370 nan 0.000 0.505 775 P HA -0.029 nan 4.420 nan 0.000 0.222 775 P C 0.195 177.570 177.300 0.125 0.000 1.153 775 P CA 0.772 63.936 63.100 0.106 0.000 0.798 775 P CB 0.476 32.222 31.700 0.078 0.000 0.796 776 T N 0.245 114.836 114.554 0.062 0.000 2.792 776 T HA 0.432 4.781 4.350 -0.001 0.000 0.280 776 T C -0.631 174.044 174.700 -0.042 0.000 0.990 776 T CA -0.411 61.715 62.100 0.042 0.000 0.960 776 T CB 1.664 70.553 68.868 0.035 0.000 0.939 776 T HN -0.411 nan 8.240 nan 0.000 0.439 777 V N 4.204 124.056 119.914 -0.102 0.000 2.349 777 V HA 0.259 4.378 4.120 -0.001 0.000 0.284 777 V C -0.114 175.814 176.094 -0.276 0.000 1.014 777 V CA -1.120 61.029 62.300 -0.252 0.000 0.826 777 V CB 1.248 32.786 31.823 -0.475 0.000 1.009 777 V HN 0.827 nan 8.190 nan 0.000 0.431 778 D N 3.345 123.630 120.400 -0.191 0.000 2.449 778 D HA 0.141 4.781 4.640 -0.001 0.000 0.236 778 D C 0.864 177.018 176.300 -0.243 0.000 1.149 778 D CA 0.609 54.511 54.000 -0.162 0.000 0.878 778 D CB 1.213 41.953 40.800 -0.100 0.000 1.198 778 D HN 0.679 nan 8.370 nan 0.000 0.446 779 G N -0.101 108.585 108.800 -0.190 0.000 2.305 779 G HA2 0.346 4.305 3.960 -0.001 0.000 0.243 779 G HA3 0.346 4.305 3.960 -0.001 0.000 0.243 779 G C 1.162 175.969 174.900 -0.155 0.000 1.288 779 G CA 0.071 45.054 45.100 -0.196 0.000 0.901 779 G HN 0.754 nan 8.290 nan 0.000 0.516 780 G N 0.663 109.361 108.800 -0.171 0.000 2.184 780 G HA2 0.106 4.066 3.960 -0.001 0.000 0.264 780 G HA3 0.106 4.066 3.960 -0.001 0.000 0.264 780 G C 0.730 175.565 174.900 -0.108 0.000 0.975 780 G CA 0.802 45.837 45.100 -0.109 0.000 0.642 780 G HN 1.911 nan 8.290 nan 0.000 0.536 781 A N -0.601 122.129 122.820 -0.150 0.000 2.271 781 A HA 0.801 5.120 4.320 -0.001 0.000 0.288 781 A C 0.272 177.790 177.584 -0.110 0.000 1.094 781 A CA 0.453 52.419 52.037 -0.119 0.000 0.828 781 A CB 0.882 19.806 19.000 -0.127 0.000 1.091 781 A HN 0.694 nan 8.150 nan 0.000 0.493 782 Q N 0.591 120.362 119.800 -0.048 0.000 2.321 782 Q HA 0.604 4.943 4.340 -0.001 0.000 0.270 782 Q C -1.903 174.111 176.000 0.024 0.000 1.032 782 Q CA -0.462 55.347 55.803 0.010 0.000 0.784 782 Q CB 1.958 30.739 28.738 0.071 0.000 1.264 782 Q HN 0.549 nan 8.270 nan 0.000 0.448 783 V N 3.431 123.364 119.914 0.032 0.000 2.628 783 V HA 0.407 4.526 4.120 -0.001 0.000 0.306 783 V C -0.620 175.489 176.094 0.026 0.000 1.045 783 V CA -0.653 61.663 62.300 0.025 0.000 0.905 783 V CB 2.101 33.911 31.823 -0.022 0.000 0.997 783 V HN 0.795 nan 8.190 nan 0.000 0.436 784 Q N 2.666 122.433 119.800 -0.054 0.000 2.312 784 Q HA 0.552 4.891 4.340 -0.001 0.000 0.263 784 Q C -1.010 174.935 176.000 -0.091 0.000 0.995 784 Q CA -0.464 55.196 55.803 -0.239 0.000 0.853 784 Q CB 2.625 31.191 28.738 -0.288 0.000 1.300 784 Q HN 0.720 nan 8.270 nan 0.000 0.448 785 Q N 1.735 121.452 119.800 -0.138 0.000 2.356 785 Q HA 0.534 4.874 4.340 -0.001 0.000 0.270 785 Q C -1.712 174.194 176.000 -0.156 0.000 1.058 785 Q CA -0.595 55.187 55.803 -0.036 0.000 0.802 785 Q CB 1.962 30.786 28.738 0.143 0.000 1.303 785 Q HN 0.426 nan 8.270 nan 0.000 0.444 786 V N 3.759 123.572 119.914 -0.168 0.000 2.459 786 V HA 0.475 4.594 4.120 -0.001 0.000 0.295 786 V C -0.505 175.437 176.094 -0.252 0.000 1.029 786 V CA -0.745 61.349 62.300 -0.342 0.000 0.874 786 V CB 1.674 33.259 31.823 -0.396 0.000 0.985 786 V HN 0.618 nan 8.190 nan 0.000 0.438 787 V N 4.615 124.358 119.914 -0.285 0.000 2.384 787 V HA 0.430 4.550 4.120 -0.001 0.000 0.287 787 V C -0.038 175.928 176.094 -0.213 0.000 1.020 787 V CA -0.817 61.370 62.300 -0.187 0.000 0.850 787 V CB 1.490 33.239 31.823 -0.125 0.000 0.987 787 V HN 0.840 nan 8.190 nan 0.000 0.436 788 N N 5.148 123.757 118.700 -0.152 0.000 2.455 788 N HA 0.601 5.340 4.740 -0.001 0.000 0.280 788 N C -0.835 174.637 175.510 -0.063 0.000 1.055 788 N CA -0.212 52.764 53.050 -0.122 0.000 0.961 788 N CB 2.403 40.831 38.487 -0.098 0.000 1.121 788 N HN 0.538 nan 8.380 nan 0.000 0.476 789 I N 0.637 121.194 120.570 -0.022 0.000 2.509 789 I HA 0.300 4.469 4.170 -0.001 0.000 0.293 789 I C 0.070 176.248 176.117 0.102 0.000 1.020 789 I CA -0.610 60.730 61.300 0.067 0.000 1.088 789 I CB 2.191 40.312 38.000 0.203 0.000 1.267 789 I HN 0.382 nan 8.210 nan 0.000 0.430 790 E N 5.285 125.501 120.200 0.026 0.000 2.260 790 E HA 0.270 4.620 4.350 -0.001 0.000 0.266 790 E C -1.567 174.911 176.600 -0.204 0.000 0.887 790 E CA -0.662 55.714 56.400 -0.040 0.000 0.777 790 E CB 2.006 31.680 29.700 -0.043 0.000 1.205 790 E HN 0.768 nan 8.360 nan 0.000 0.414 791 C N 6.816 125.841 119.300 -0.458 0.000 2.540 791 C HA 0.343 4.802 4.460 -0.001 0.000 0.377 791 C C 1.365 176.189 174.990 -0.277 0.000 1.274 791 C CA -0.305 58.349 59.018 -0.606 0.000 1.718 791 C CB -1.426 25.527 27.740 -1.311 0.000 2.391 791 C HN 0.915 nan 8.230 nan 0.000 0.565 792 I N 3.823 124.288 120.570 -0.174 0.000 2.585 792 I HA 0.102 4.271 4.170 -0.001 0.000 0.254 792 I C 1.350 177.438 176.117 -0.049 0.000 1.129 792 I CA 0.833 62.079 61.300 -0.089 0.000 1.455 792 I CB -0.042 37.916 38.000 -0.070 0.000 1.111 792 I HN 0.695 nan 8.210 nan 0.000 0.433 793 S N -0.746 114.943 115.700 -0.017 0.000 2.656 793 S HA 0.176 4.645 4.470 -0.001 0.000 0.273 793 S C -1.756 172.921 174.600 0.127 0.000 1.168 793 S CA -0.971 57.247 58.200 0.029 0.000 0.817 793 S CB 0.953 64.167 63.200 0.022 0.000 1.146 793 S HN 0.323 nan 8.310 nan 0.000 0.475 794 D N 0.950 121.401 120.400 0.086 0.000 2.400 794 D HA 0.317 4.956 4.640 -0.001 0.000 0.238 794 D C -0.253 176.145 176.300 0.163 0.000 1.157 794 D CA 0.305 54.344 54.000 0.066 0.000 0.889 794 D CB 0.158 40.928 40.800 -0.050 0.000 1.199 794 D HN 0.431 nan 8.370 nan 0.000 0.436 795 F N -3.252 116.699 119.950 0.001 0.000 2.668 795 F HA 0.436 4.962 4.527 -0.001 0.000 0.309 795 F C 0.155 175.975 175.800 0.032 0.000 1.117 795 F CA -0.973 57.035 58.000 0.014 0.000 0.951 795 F CB 1.532 40.543 39.000 0.019 0.000 1.323 795 F HN 0.166 nan 8.300 nan 0.000 0.451 796 T N -1.148 113.466 114.554 0.099 0.000 3.056 796 T HA 0.128 4.478 4.350 -0.001 0.000 0.241 796 T C 0.232 175.039 174.700 0.178 0.000 1.006 796 T CA 0.339 62.466 62.100 0.044 0.000 1.115 796 T CB -0.037 68.851 68.868 0.033 0.000 0.939 796 T HN 0.480 nan 8.240 nan 0.000 0.462 797 E N 1.741 122.077 120.200 0.227 0.000 2.392 797 E HA 0.536 4.885 4.350 -0.001 0.000 0.259 797 E C -0.313 176.435 176.600 0.247 0.000 1.108 797 E CA -0.176 56.330 56.400 0.177 0.000 0.916 797 E CB 0.679 30.438 29.700 0.099 0.000 0.989 797 E HN 0.380 nan 8.360 nan 0.000 0.432 798 A N 2.802 125.691 122.820 0.114 0.000 2.324 798 A HA 0.602 4.922 4.320 -0.001 0.000 0.330 798 A C -2.347 175.221 177.584 -0.026 0.000 1.165 798 A CA -1.636 50.451 52.037 0.084 0.000 0.813 798 A CB 0.607 19.569 19.000 -0.064 0.000 1.197 798 A HN 0.297 nan 8.150 nan 0.000 0.484 799 P HA 0.285 nan 4.420 nan 0.000 0.269 799 P C -0.731 176.520 177.300 -0.082 0.000 1.215 799 P CA -0.105 62.964 63.100 -0.051 0.000 0.780 799 P CB 0.669 32.346 31.700 -0.039 0.000 0.898 800 V N 3.693 123.558 119.914 -0.082 0.000 2.435 800 V HA 0.239 4.358 4.120 -0.001 0.000 0.290 800 V C 0.063 176.114 176.094 -0.072 0.000 1.030 800 V CA -0.621 61.622 62.300 -0.095 0.000 0.881 800 V CB 1.369 33.133 31.823 -0.099 0.000 0.983 800 V HN 0.360 nan 8.190 nan 0.000 0.445 801 L N 5.441 126.624 121.223 -0.068 0.000 2.255 801 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 801 L C -0.209 176.609 176.870 -0.086 0.000 1.046 801 L CA 0.247 55.059 54.840 -0.047 0.000 0.816 801 L CB 0.821 42.881 42.059 0.002 0.000 1.197 801 L HN 0.744 nan 8.230 nan 0.000 0.427 802 N N 4.561 123.201 118.700 -0.099 0.000 2.408 802 N HA 0.608 5.347 4.740 -0.001 0.000 0.280 802 N C -1.403 173.992 175.510 -0.192 0.000 1.002 802 N CA -0.364 52.600 53.050 -0.143 0.000 0.907 802 N CB 0.980 39.393 38.487 -0.124 0.000 1.161 802 N HN 0.533 nan 8.380 nan 0.000 0.488 803 I N 2.227 122.646 120.570 -0.252 0.000 2.410 803 I HA 0.292 4.461 4.170 -0.001 0.000 0.286 803 I C -0.428 175.455 176.117 -0.392 0.000 1.009 803 I CA -0.374 60.691 61.300 -0.391 0.000 1.111 803 I CB 1.729 39.534 38.000 -0.325 0.000 1.262 803 I HN 0.433 nan 8.210 nan 0.000 0.443 804 Q N 6.644 126.182 119.800 -0.437 0.000 2.337 804 Q HA 0.800 5.140 4.340 -0.001 0.000 0.266 804 Q C -1.296 174.502 176.000 -0.336 0.000 1.023 804 Q CA -0.762 54.761 55.803 -0.466 0.000 0.829 804 Q CB 2.666 31.251 28.738 -0.255 0.000 1.306 804 Q HN 0.612 nan 8.270 nan 0.000 0.449 805 F N -2.023 117.580 119.950 -0.579 0.000 2.693 805 F HA 0.622 5.148 4.527 -0.001 0.000 0.309 805 F C -1.005 174.658 175.800 -0.228 0.000 1.129 805 F CA -1.509 56.326 58.000 -0.275 0.000 0.948 805 F CB 1.150 40.134 39.000 -0.026 0.000 1.315 805 F HN 0.229 nan 8.300 nan 0.000 0.447 806 R N 1.003 121.602 120.500 0.165 0.000 2.490 806 R HA 0.463 4.803 4.340 -0.001 0.000 0.278 806 R C -1.810 174.712 176.300 0.369 0.000 1.069 806 R CA -0.781 55.426 56.100 0.178 0.000 1.080 806 R CB 0.993 31.415 30.300 0.204 0.000 1.030 806 R HN 0.788 nan 8.270 nan 0.000 0.491 807 Y N 0.113 120.495 120.300 0.136 0.000 2.325 807 Y HA 0.304 4.854 4.550 -0.001 0.000 0.336 807 Y C 0.273 176.267 175.900 0.156 0.000 1.130 807 Y CA -0.275 57.965 58.100 0.233 0.000 1.264 807 Y CB 0.884 39.486 38.460 0.236 0.000 1.128 807 Y HN 0.877 nan 8.280 nan 0.000 0.469 808 G N 2.676 111.362 108.800 -0.190 0.000 2.179 808 G HA2 0.030 3.990 3.960 -0.001 0.000 0.257 808 G HA3 0.030 3.990 3.960 -0.001 0.000 0.257 808 G C 1.150 175.975 174.900 -0.125 0.000 1.010 808 G CA 0.991 45.933 45.100 -0.263 0.000 0.736 808 G HN 2.182 nan 8.290 nan 0.000 0.513 809 G N -2.633 106.150 108.800 -0.029 0.000 2.195 809 G HA2 0.012 3.972 3.960 -0.001 0.000 0.224 809 G HA3 0.012 3.972 3.960 -0.001 0.000 0.224 809 G C 0.437 175.356 174.900 0.032 0.000 0.990 809 G CA 1.010 46.115 45.100 0.008 0.000 0.639 809 G HN 1.716 nan 8.290 nan 0.000 0.514 810 T N 0.361 114.933 114.554 0.030 0.000 2.867 810 T HA 0.569 4.918 4.350 -0.001 0.000 0.282 810 T C -0.505 174.240 174.700 0.076 0.000 1.000 810 T CA -0.471 61.667 62.100 0.063 0.000 1.042 810 T CB 0.697 69.603 68.868 0.064 0.000 0.973 810 T HN 0.486 nan 8.240 nan 0.000 0.465 811 F N 5.208 125.110 119.950 -0.081 0.000 2.421 811 F HA 0.408 4.934 4.527 -0.001 0.000 0.358 811 F C 0.268 175.905 175.800 -0.270 0.000 1.115 811 F CA -0.579 57.328 58.000 -0.155 0.000 1.160 811 F CB 0.579 39.506 39.000 -0.121 0.000 1.123 811 F HN 0.344 nan 8.300 nan 0.000 0.508 812 Q N 5.362 124.482 119.800 -1.133 0.000 2.271 812 Q HA 0.310 4.650 4.340 -0.001 0.000 0.258 812 Q C -1.107 174.080 176.000 -1.355 0.000 0.936 812 Q CA -0.623 54.440 55.803 -1.234 0.000 0.909 812 Q CB 1.838 29.495 28.738 -1.803 0.000 1.253 812 Q HN 0.619 nan 8.270 nan 0.000 0.440 813 N N 1.768 119.990 118.700 -0.798 0.000 2.533 813 N HA 0.347 5.087 4.740 -0.001 0.000 0.289 813 N C -1.862 173.427 175.510 -0.369 0.000 1.103 813 N CA -0.113 52.610 53.050 -0.543 0.000 0.877 813 N CB 1.652 39.962 38.487 -0.295 0.000 1.419 813 N HN 0.220 nan 8.380 nan 0.000 0.517 814 V N 1.703 121.407 119.914 -0.350 0.000 2.656 814 V HA 0.605 4.724 4.120 -0.001 0.000 0.307 814 V C -0.300 175.583 176.094 -0.352 0.000 1.051 814 V CA -0.496 61.571 62.300 -0.390 0.000 0.893 814 V CB 1.965 33.514 31.823 -0.457 0.000 0.999 814 V HN 0.649 nan 8.190 nan 0.000 0.426 815 S N 2.611 118.099 115.700 -0.354 0.000 2.526 815 S HA 0.853 5.323 4.470 -0.001 0.000 0.293 815 S C -1.045 173.403 174.600 -0.253 0.000 1.092 815 S CA -0.617 57.429 58.200 -0.257 0.000 0.980 815 S CB 2.125 65.221 63.200 -0.173 0.000 1.048 815 S HN 0.686 nan 8.310 nan 0.000 0.483 816 V N 2.574 122.384 119.914 -0.174 0.000 3.000 816 V HA 0.467 4.587 4.120 -0.001 0.000 0.300 816 V C -1.631 174.406 176.094 -0.095 0.000 1.251 816 V CA -0.863 61.387 62.300 -0.084 0.000 0.972 816 V CB 2.142 33.950 31.823 -0.026 0.000 1.065 816 V HN 0.862 nan 8.190 nan 0.000 0.431 817 K N 5.184 125.489 120.400 -0.158 0.000 2.249 817 K HA 0.527 4.846 4.320 -0.001 0.000 0.280 817 K C -0.731 175.803 176.600 -0.109 0.000 1.033 817 K CA -0.354 55.740 56.287 -0.322 0.000 0.946 817 K CB 1.190 33.132 32.500 -0.930 0.000 1.005 817 K HN 0.540 nan 8.250 nan 0.000 0.469 818 L N 4.729 125.930 121.223 -0.037 0.000 2.371 818 L HA 0.184 4.523 4.340 -0.001 0.000 0.272 818 L C -1.695 175.348 176.870 0.287 0.000 1.124 818 L CA -1.885 53.004 54.840 0.081 0.000 0.816 818 L CB 0.645 42.729 42.059 0.042 0.000 1.129 818 L HN 0.410 nan 8.230 nan 0.000 0.448 819 P HA 0.187 nan 4.420 nan 0.000 0.225 819 P C -0.559 176.858 177.300 0.196 0.000 1.813 819 P CA 0.216 63.450 63.100 0.224 0.000 1.013 819 P CB -0.317 31.270 31.700 -0.188 0.000 1.961 820 I N 2.254 123.004 120.570 0.299 0.000 2.405 820 I HA 0.246 4.415 4.170 -0.001 0.000 0.280 820 I C 0.680 177.061 176.117 0.441 0.000 1.027 820 I CA -0.248 61.222 61.300 0.284 0.000 1.161 820 I CB 1.586 39.753 38.000 0.278 0.000 1.300 820 I HN 0.084 nan 8.210 nan 0.000 0.463 821 T N 1.604 116.312 114.554 0.256 0.000 2.930 821 T HA 0.357 4.707 4.350 -0.001 0.000 0.290 821 T C 0.628 175.314 174.700 -0.023 0.000 1.052 821 T CA -0.821 61.376 62.100 0.161 0.000 1.017 821 T CB 2.222 71.095 68.868 0.008 0.000 1.137 821 T HN 0.322 nan 8.240 nan 0.000 0.511 822 L N 1.531 122.526 121.223 -0.381 0.000 2.127 822 L HA -0.060 4.279 4.340 -0.001 0.000 0.211 822 L C 2.216 178.962 176.870 -0.207 0.000 1.089 822 L CA 2.000 56.588 54.840 -0.421 0.000 0.757 822 L CB -0.977 40.744 42.059 -0.563 0.000 0.899 822 L HN 0.873 nan 8.230 nan 0.000 0.434 823 N N -1.330 117.135 118.700 -0.392 0.000 2.550 823 N HA -0.176 4.564 4.740 -0.001 0.000 0.186 823 N C 1.174 176.402 175.510 -0.470 0.000 1.110 823 N CA 0.520 53.228 53.050 -0.570 0.000 0.912 823 N CB -0.311 37.422 38.487 -1.258 0.000 0.968 823 N HN 0.350 nan 8.380 nan 0.000 0.448 824 K N 0.394 120.414 120.400 -0.632 0.000 2.283 824 K HA -0.025 4.294 4.320 -0.001 0.000 0.202 824 K C 0.377 176.341 176.600 -1.060 0.000 1.048 824 K CA 0.533 56.124 56.287 -1.161 0.000 0.948 824 K CB -0.263 31.002 32.500 -2.058 0.000 0.742 824 K HN 0.299 nan 8.250 nan 0.000 0.458 825 F N -0.350 119.526 119.950 -0.124 0.000 2.668 825 F HA 0.177 4.704 4.527 0.000 0.000 0.297 825 F C 0.308 176.237 175.800 0.216 0.000 1.124 825 F CA -0.793 57.260 58.000 0.089 0.000 1.353 825 F CB -0.106 38.985 39.000 0.152 0.000 0.992 825 F HN -0.205 nan 8.300 nan 0.000 0.524 826 F N 2.509 122.452 119.950 -0.011 0.000 2.385 826 F HA 0.490 5.017 4.527 -0.001 0.000 0.360 826 F C -0.211 175.616 175.800 0.044 0.000 1.122 826 F CA -1.298 56.701 58.000 -0.002 0.000 1.090 826 F CB 0.511 39.398 39.000 -0.188 0.000 1.150 826 F HN -0.100 nan 8.300 nan 0.000 0.472 827 Q N 7.572 127.431 119.800 0.098 0.000 2.312 827 Q HA 0.406 4.745 4.340 -0.001 0.000 0.263 827 Q C -2.579 173.296 176.000 -0.209 0.000 0.995 827 Q CA -2.140 53.650 55.803 -0.021 0.000 0.853 827 Q CB 2.210 31.055 28.738 0.177 0.000 1.300 827 Q HN 0.379 nan 8.270 nan 0.000 0.448 828 P HA 0.083 nan 4.420 nan 0.000 0.275 828 P C -0.657 176.600 177.300 -0.072 0.000 1.228 828 P CA -0.105 62.881 63.100 -0.191 0.000 0.786 828 P CB 0.654 32.284 31.700 -0.116 0.000 0.927 829 T N -0.881 113.647 114.554 -0.044 0.000 2.906 829 T HA 0.311 4.660 4.350 -0.001 0.000 0.302 829 T C -0.140 174.579 174.700 0.032 0.000 1.002 829 T CA -0.876 61.233 62.100 0.015 0.000 0.988 829 T CB 0.781 69.674 68.868 0.042 0.000 0.972 829 T HN 0.188 nan 8.240 nan 0.000 0.447 830 E N 4.149 124.365 120.200 0.027 0.000 2.383 830 E HA 0.474 4.824 4.350 -0.001 0.000 0.264 830 E C 0.300 176.928 176.600 0.047 0.000 1.050 830 E CA -0.234 56.184 56.400 0.029 0.000 0.896 830 E CB 1.163 30.875 29.700 0.020 0.000 0.982 830 E HN 0.940 nan 8.360 nan 0.000 0.424 831 M N -1.530 118.102 119.600 0.052 0.000 2.562 831 M HA 0.624 5.103 4.480 -0.001 0.000 0.281 831 M C -1.172 175.161 176.300 0.055 0.000 1.195 831 M CA -1.024 54.315 55.300 0.066 0.000 0.888 831 M CB 1.672 34.333 32.600 0.102 0.000 1.731 831 M HN 0.322 nan 8.290 nan 0.000 0.493 832 A N 1.387 124.241 122.820 0.058 0.000 2.386 832 A HA 0.484 4.803 4.320 -0.001 0.000 0.246 832 A C 1.134 178.765 177.584 0.078 0.000 1.089 832 A CA 0.211 52.281 52.037 0.055 0.000 0.790 832 A CB 0.140 19.175 19.000 0.058 0.000 1.042 832 A HN 1.218 nan 8.150 nan 0.000 0.497 833 S N 0.116 115.862 115.700 0.076 0.000 2.383 833 S HA -0.209 4.260 4.470 -0.001 0.000 0.227 833 S C 1.483 176.232 174.600 0.247 0.000 1.026 833 S CA 1.620 59.885 58.200 0.109 0.000 0.981 833 S CB -0.495 62.799 63.200 0.157 0.000 0.818 833 S HN 0.736 nan 8.310 nan 0.000 0.472 834 Q N 1.488 121.424 119.800 0.226 0.000 2.167 834 Q HA 0.012 4.351 4.340 -0.001 0.000 0.202 834 Q C 1.650 177.774 176.000 0.206 0.000 0.970 834 Q CA 1.514 57.468 55.803 0.253 0.000 0.855 834 Q CB -0.330 28.503 28.738 0.159 0.000 0.911 834 Q HN 0.521 nan 8.270 nan 0.000 0.438 835 D N -0.047 120.441 120.400 0.146 0.000 2.097 835 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 835 D C 1.468 177.823 176.300 0.091 0.000 0.984 835 D CA 0.762 54.827 54.000 0.107 0.000 0.826 835 D CB -0.351 40.501 40.800 0.088 0.000 0.973 835 D HN 0.173 nan 8.370 nan 0.000 0.460 836 F N 0.611 120.529 119.950 -0.053 0.000 2.091 836 F HA -0.269 4.257 4.527 -0.001 0.000 0.299 836 F C 2.015 177.724 175.800 -0.152 0.000 1.103 836 F CA 1.459 59.361 58.000 -0.165 0.000 1.228 836 F CB -0.282 38.497 39.000 -0.368 0.000 0.984 836 F HN -0.154 nan 8.300 nan 0.000 0.477 837 F N 0.506 120.583 119.950 0.212 0.000 2.186 837 F HA -0.144 4.383 4.527 -0.001 0.000 0.299 837 F C 2.656 178.510 175.800 0.091 0.000 1.090 837 F CA 1.613 59.702 58.000 0.148 0.000 1.307 837 F CB -1.247 37.846 39.000 0.156 0.000 1.019 837 F HN 0.088 nan 8.300 nan 0.000 0.489 838 Q N 0.291 120.215 119.800 0.206 0.000 2.061 838 Q HA -0.204 4.136 4.340 -0.001 0.000 0.204 838 Q C 2.433 178.467 176.000 0.055 0.000 0.984 838 Q CA 1.530 57.406 55.803 0.121 0.000 0.846 838 Q CB 0.026 28.817 28.738 0.087 0.000 0.902 838 Q HN 0.227 nan 8.270 nan 0.000 0.421 839 R N -0.182 120.307 120.500 -0.017 0.000 2.081 839 R HA -0.168 4.172 4.340 -0.001 0.000 0.235 839 R C 2.013 178.258 176.300 -0.092 0.000 1.131 839 R CA 1.253 57.305 56.100 -0.080 0.000 0.960 839 R CB -0.889 29.326 30.300 -0.142 0.000 0.856 839 R HN 0.581 nan 8.270 nan 0.000 0.436 840 W N 2.343 123.424 121.300 -0.366 0.000 2.358 840 W HA -0.183 4.476 4.660 -0.001 0.000 0.303 840 W C 1.346 177.815 176.519 -0.082 0.000 1.208 840 W CA 1.314 58.489 57.345 -0.283 0.000 1.274 840 W CB -0.044 29.232 29.460 -0.306 0.000 1.138 840 W HN 0.064 nan 8.180 nan 0.000 0.515 841 K N 0.189 120.694 120.400 0.175 0.000 2.217 841 K HA -0.193 4.126 4.320 -0.001 0.000 0.202 841 K C 2.093 178.688 176.600 -0.008 0.000 1.051 841 K CA 1.144 57.491 56.287 0.101 0.000 0.952 841 K CB -0.359 32.237 32.500 0.161 0.000 0.736 841 K HN 0.199 nan 8.250 nan 0.000 0.453 842 Q N 0.495 120.280 119.800 -0.025 0.000 2.170 842 Q HA -0.062 4.277 4.340 -0.001 0.000 0.203 842 Q C 0.367 176.310 176.000 -0.095 0.000 0.976 842 Q CA 0.904 56.679 55.803 -0.047 0.000 0.858 842 Q CB 0.135 28.848 28.738 -0.041 0.000 0.907 842 Q HN 0.248 nan 8.270 nan 0.000 0.433 843 L N 1.133 122.254 121.223 -0.171 0.000 2.648 843 L HA 0.097 4.437 4.340 -0.001 0.000 0.238 843 L C 0.823 177.541 176.870 -0.253 0.000 1.316 843 L CA -0.274 54.429 54.840 -0.228 0.000 1.241 843 L CB 0.206 42.075 42.059 -0.316 0.000 1.499 843 L HN 0.131 nan 8.230 nan 0.000 0.411 844 S N -2.270 113.338 115.700 -0.154 0.000 2.540 844 S HA 0.038 4.508 4.470 -0.001 0.000 0.218 844 S C 0.812 175.358 174.600 -0.091 0.000 0.977 844 S CA -0.506 57.622 58.200 -0.120 0.000 0.918 844 S CB -0.080 63.084 63.200 -0.061 0.000 0.806 844 S HN 0.536 nan 8.310 nan 0.000 0.496 845 N N 3.041 121.686 118.700 -0.092 0.000 2.497 845 N HA 0.214 4.953 4.740 -0.001 0.000 0.271 845 N C -2.007 173.460 175.510 -0.071 0.000 1.142 845 N CA -1.585 51.425 53.050 -0.067 0.000 0.965 845 N CB 1.436 39.888 38.487 -0.059 0.000 1.077 845 N HN -0.039 nan 8.380 nan 0.000 0.462 846 P HA -0.105 nan 4.420 nan 0.000 0.219 846 P C 0.672 177.946 177.300 -0.045 0.000 1.146 846 P CA 1.345 64.419 63.100 -0.043 0.000 0.808 846 P CB 0.287 31.973 31.700 -0.024 0.000 0.779 847 Q N -0.686 119.088 119.800 -0.044 0.000 2.364 847 Q HA -0.118 4.222 4.340 -0.001 0.000 0.207 847 Q C 1.976 177.943 176.000 -0.055 0.000 0.970 847 Q CA 0.942 56.721 55.803 -0.041 0.000 0.888 847 Q CB -0.345 28.372 28.738 -0.035 0.000 0.951 847 Q HN 0.475 nan 8.270 nan 0.000 0.469 848 Q N 0.107 119.860 119.800 -0.079 0.000 2.424 848 Q HA 0.028 4.367 4.340 -0.001 0.000 0.204 848 Q C 0.077 176.004 176.000 -0.121 0.000 0.933 848 Q CA 0.236 55.977 55.803 -0.103 0.000 0.929 848 Q CB 0.514 29.174 28.738 -0.131 0.000 1.037 848 Q HN 0.222 nan 8.270 nan 0.000 0.511 849 E N 0.621 120.756 120.200 -0.109 0.000 2.166 849 E HA 0.384 4.733 4.350 -0.001 0.000 0.275 849 E C -1.485 175.092 176.600 -0.037 0.000 0.941 849 E CA -0.511 55.827 56.400 -0.103 0.000 0.784 849 E CB 1.452 31.084 29.700 -0.112 0.000 1.115 849 E HN -0.166 nan 8.360 nan 0.000 0.399 850 V N 4.669 124.577 119.914 -0.009 0.000 2.531 850 V HA 0.288 4.407 4.120 -0.001 0.000 0.301 850 V C -0.556 175.573 176.094 0.059 0.000 1.034 850 V CA -0.673 61.638 62.300 0.020 0.000 0.865 850 V CB 1.649 33.478 31.823 0.010 0.000 0.995 850 V HN 0.735 nan 8.190 nan 0.000 0.424 851 Q N 3.845 123.689 119.800 0.073 0.000 2.365 851 Q HA 0.614 4.953 4.340 -0.001 0.000 0.269 851 Q C -1.223 174.848 176.000 0.119 0.000 1.061 851 Q CA -0.652 55.218 55.803 0.111 0.000 0.816 851 Q CB 2.170 30.976 28.738 0.113 0.000 1.325 851 Q HN 0.750 nan 8.270 nan 0.000 0.446 852 N N 3.222 122.024 118.700 0.169 0.000 2.310 852 N HA 0.459 5.198 4.740 -0.001 0.000 0.292 852 N C -1.881 173.814 175.510 0.310 0.000 1.049 852 N CA -0.426 52.756 53.050 0.221 0.000 0.849 852 N CB 1.453 40.065 38.487 0.208 0.000 1.532 852 N HN 0.643 nan 8.380 nan 0.000 0.479 853 I N 3.920 124.642 120.570 0.253 0.000 2.389 853 I HA 0.512 4.681 4.170 -0.001 0.000 0.288 853 I C -0.946 175.313 176.117 0.237 0.000 0.999 853 I CA -0.884 60.512 61.300 0.160 0.000 1.129 853 I CB 0.614 38.660 38.000 0.077 0.000 1.288 853 I HN 0.507 nan 8.210 nan 0.000 0.444 854 F N 4.089 124.098 119.950 0.098 0.000 2.668 854 F HA 0.652 5.178 4.527 -0.001 0.000 0.309 854 F C -0.942 174.932 175.800 0.123 0.000 1.117 854 F CA -1.399 56.659 58.000 0.097 0.000 0.951 854 F CB 1.049 40.105 39.000 0.093 0.000 1.323 854 F HN 0.116 nan 8.300 nan 0.000 0.451 855 K N 2.216 122.761 120.400 0.242 0.000 2.249 855 K HA 0.692 5.011 4.320 -0.001 0.000 0.280 855 K C -0.260 176.511 176.600 0.285 0.000 1.033 855 K CA -0.002 56.372 56.287 0.144 0.000 0.946 855 K CB 1.138 33.704 32.500 0.110 0.000 1.005 855 K HN 0.971 nan 8.250 nan 0.000 0.469 856 A N 4.160 127.111 122.820 0.217 0.000 2.511 856 A HA 0.110 4.430 4.320 -0.001 0.000 0.242 856 A C 0.263 177.954 177.584 0.179 0.000 1.069 856 A CA 0.138 52.391 52.037 0.361 0.000 0.763 856 A CB 0.164 19.362 19.000 0.330 0.000 1.001 856 A HN 0.920 nan 8.150 nan 0.000 0.498 857 K N 0.353 120.795 120.400 0.070 0.000 2.314 857 K HA 0.064 4.384 4.320 -0.001 0.000 0.198 857 K C -0.119 176.245 176.600 -0.394 0.000 1.045 857 K CA 0.858 56.993 56.287 -0.254 0.000 0.988 857 K CB 0.076 32.224 32.500 -0.586 0.000 0.783 857 K HN 0.899 nan 8.250 nan 0.000 0.484 858 H N -0.561 118.606 119.070 0.162 0.000 2.797 858 H HA 0.284 4.840 4.556 -0.001 0.000 0.362 858 H C -2.533 172.881 175.328 0.143 0.000 1.183 858 H CA -2.368 53.753 56.048 0.123 0.000 1.197 858 H CB 0.930 30.752 29.762 0.099 0.000 1.835 858 H HN -0.220 nan 8.280 nan 0.000 0.567 859 P HA -0.046 nan 4.420 nan 0.000 0.266 859 P C -0.261 177.154 177.300 0.191 0.000 1.193 859 P CA 0.171 63.366 63.100 0.158 0.000 0.770 859 P CB 0.540 32.309 31.700 0.116 0.000 0.836 860 M N 2.342 122.022 119.600 0.133 0.000 3.596 860 M HA 0.062 4.542 4.480 -0.001 0.000 0.212 860 M C 0.156 176.541 176.300 0.141 0.000 1.519 860 M CA 0.390 55.770 55.300 0.133 0.000 1.670 860 M CB -1.421 31.180 32.600 0.002 0.000 1.113 860 M HN 0.233 nan 8.290 nan 0.000 0.565 861 D N 0.859 121.363 120.400 0.174 0.000 2.392 861 D HA 0.227 4.866 4.640 -0.001 0.000 0.228 861 D C 0.708 177.102 176.300 0.156 0.000 1.074 861 D CA -0.013 54.067 54.000 0.133 0.000 0.838 861 D CB 1.350 42.212 40.800 0.103 0.000 1.067 861 D HN 0.296 nan 8.370 nan 0.000 0.511 862 T N 2.959 117.617 114.554 0.173 0.000 2.674 862 T HA -0.140 4.209 4.350 -0.001 0.000 0.265 862 T C 1.453 176.270 174.700 0.195 0.000 1.039 862 T CA 0.957 63.217 62.100 0.266 0.000 1.150 862 T CB 0.174 69.168 68.868 0.209 0.000 0.864 862 T HN 0.437 nan 8.240 nan 0.000 0.427 863 E N 0.753 121.026 120.200 0.122 0.000 2.106 863 E HA -0.032 4.317 4.350 -0.001 0.000 0.192 863 E C 2.297 178.930 176.600 0.054 0.000 0.984 863 E CA 0.594 57.044 56.400 0.084 0.000 0.806 863 E CB -0.283 29.451 29.700 0.056 0.000 0.750 863 E HN 0.388 nan 8.360 nan 0.000 0.458 864 I N 1.156 121.755 120.570 0.049 0.000 2.252 864 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 864 I C 2.172 178.301 176.117 0.021 0.000 1.102 864 I CA 1.143 62.456 61.300 0.021 0.000 1.385 864 I CB -1.559 36.451 38.000 0.017 0.000 1.064 864 I HN 0.051 nan 8.210 nan 0.000 0.414 865 T N 1.370 115.943 114.554 0.031 0.000 2.684 865 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 865 T C 1.931 176.535 174.700 -0.161 0.000 1.036 865 T CA 1.399 63.474 62.100 -0.043 0.000 1.148 865 T CB -0.152 68.514 68.868 -0.336 0.000 0.863 865 T HN 0.332 nan 8.240 nan 0.000 0.436 866 K N 1.324 121.641 120.400 -0.139 0.000 2.020 866 K HA -0.109 4.211 4.320 -0.001 0.000 0.212 866 K C 2.692 179.297 176.600 0.008 0.000 1.050 866 K CA 1.472 57.747 56.287 -0.021 0.000 0.929 866 K CB -0.438 32.122 32.500 0.099 0.000 0.714 866 K HN 0.311 nan 8.250 nan 0.000 0.443 867 A N 1.811 124.637 122.820 0.010 0.000 1.940 867 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 867 A C 1.940 179.523 177.584 -0.000 0.000 1.176 867 A CA 1.711 53.750 52.037 0.004 0.000 0.631 867 A CB -0.355 18.639 19.000 -0.010 0.000 0.814 867 A HN 0.244 nan 8.150 nan 0.000 0.446 868 K N -0.461 119.932 120.400 -0.012 0.000 2.026 868 K HA -0.053 4.266 4.320 -0.001 0.000 0.208 868 K C 1.767 178.399 176.600 0.053 0.000 1.048 868 K CA 1.591 57.852 56.287 -0.044 0.000 0.929 868 K CB -0.360 32.027 32.500 -0.188 0.000 0.713 868 K HN 0.536 nan 8.250 nan 0.000 0.439 869 I N 0.826 121.453 120.570 0.096 0.000 2.226 869 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 869 I C 2.191 178.406 176.117 0.164 0.000 1.100 869 I CA 1.261 62.645 61.300 0.140 0.000 1.374 869 I CB -0.206 37.837 38.000 0.071 0.000 1.057 869 I HN 0.126 nan 8.210 nan 0.000 0.413 870 I N 0.492 121.118 120.570 0.092 0.000 2.202 870 I HA -0.179 3.990 4.170 -0.001 0.000 0.242 870 I C 2.615 178.775 176.117 0.071 0.000 1.091 870 I CA 1.575 62.914 61.300 0.065 0.000 1.368 870 I CB -0.743 37.278 38.000 0.035 0.000 1.058 870 I HN 0.232 nan 8.210 nan 0.000 0.410 871 G N 0.121 108.962 108.800 0.067 0.000 2.443 871 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.219 871 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.219 871 G C 1.579 176.538 174.900 0.098 0.000 1.131 871 G CA 0.167 45.297 45.100 0.050 0.000 0.775 871 G HN 0.306 nan 8.290 nan 0.000 0.547 872 F N 1.510 121.460 119.950 -0.001 0.000 2.216 872 F HA 0.174 4.700 4.527 -0.001 0.000 0.300 872 F C 2.107 177.989 175.800 0.137 0.000 1.085 872 F CA 1.660 59.692 58.000 0.053 0.000 1.326 872 F CB 0.285 39.345 39.000 0.101 0.000 1.027 872 F HN 0.282 nan 8.300 nan 0.000 0.497 873 G N -0.694 108.168 108.800 0.103 0.000 2.227 873 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.168 873 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.168 873 G C 0.379 175.019 174.900 -0.433 0.000 1.006 873 G CA 0.168 45.202 45.100 -0.111 0.000 0.684 873 G HN 0.561 nan 8.290 nan 0.000 0.489 874 S N 0.406 115.999 115.700 -0.177 0.000 2.601 874 S HA 0.755 5.225 4.470 -0.001 0.000 0.271 874 S C 0.930 175.464 174.600 -0.111 0.000 1.305 874 S CA 0.811 58.862 58.200 -0.248 0.000 1.022 874 S CB 0.941 64.268 63.200 0.213 0.000 0.940 874 S HN 1.699 nan 8.310 nan 0.000 0.525 875 A N 2.743 125.504 122.820 -0.099 0.000 2.351 875 A HA 0.546 4.865 4.320 -0.001 0.000 0.257 875 A C -0.501 177.092 177.584 0.015 0.000 1.087 875 A CA -0.460 51.559 52.037 -0.030 0.000 0.798 875 A CB 0.128 19.119 19.000 -0.016 0.000 1.033 875 A HN 0.842 nan 8.150 nan 0.000 0.488 876 L N 2.331 123.566 121.223 0.019 0.000 2.280 876 L HA 0.515 4.854 4.340 -0.001 0.000 0.287 876 L C -0.962 175.907 176.870 -0.002 0.000 1.023 876 L CA -0.037 54.823 54.840 0.033 0.000 0.819 876 L CB 0.826 42.922 42.059 0.062 0.000 1.212 876 L HN 0.573 nan 8.230 nan 0.000 0.420 877 L N 5.551 126.745 121.223 -0.049 0.000 2.262 877 L HA 0.455 4.794 4.340 -0.001 0.000 0.288 877 L C -0.061 176.736 176.870 -0.122 0.000 1.035 877 L CA -0.587 54.188 54.840 -0.107 0.000 0.820 877 L CB 0.896 42.826 42.059 -0.216 0.000 1.204 877 L HN 0.547 nan 8.230 nan 0.000 0.424 878 E N 3.576 123.728 120.200 -0.080 0.000 2.301 878 E HA 0.131 4.481 4.350 -0.001 0.000 0.275 878 E C 0.144 176.693 176.600 -0.086 0.000 1.030 878 E CA -0.301 56.053 56.400 -0.077 0.000 0.852 878 E CB 1.099 30.772 29.700 -0.044 0.000 1.060 878 E HN 0.496 nan 8.360 nan 0.000 0.401 879 E N 0.023 120.169 120.200 -0.090 0.000 2.637 879 E HA -0.192 4.158 4.350 -0.001 0.000 0.265 879 E C 0.595 177.161 176.600 -0.056 0.000 1.073 879 E CA 0.267 56.629 56.400 -0.064 0.000 0.778 879 E CB -1.653 28.024 29.700 -0.039 0.000 1.362 879 E HN 0.269 nan 8.360 nan 0.000 0.413 880 V N -0.202 119.638 119.914 -0.123 0.000 2.521 880 V HA -0.012 4.107 4.120 -0.001 0.000 0.239 880 V C 1.042 177.133 176.094 -0.004 0.000 1.053 880 V CA 1.129 63.342 62.300 -0.146 0.000 1.073 880 V CB 0.091 31.610 31.823 -0.507 0.000 0.746 880 V HN 0.223 nan 8.190 nan 0.000 0.476 881 D N 1.774 122.104 120.400 -0.116 0.000 2.343 881 D HA 0.103 4.743 4.640 -0.001 0.000 0.255 881 D C -1.518 174.756 176.300 -0.043 0.000 1.187 881 D CA -1.836 52.140 54.000 -0.039 0.000 0.875 881 D CB 1.854 42.576 40.800 -0.131 0.000 1.136 881 D HN 0.159 nan 8.370 nan 0.000 0.469 882 P HA -0.088 nan 4.420 nan 0.000 0.230 882 P C 0.259 177.519 177.300 -0.067 0.000 1.158 882 P CA 0.132 63.207 63.100 -0.042 0.000 0.769 882 P CB 0.253 31.926 31.700 -0.045 0.000 0.807 883 N N 1.804 120.455 118.700 -0.082 0.000 2.401 883 N HA 0.062 4.802 4.740 -0.001 0.000 0.255 883 N C -1.303 174.121 175.510 -0.143 0.000 1.110 883 N CA -2.116 50.872 53.050 -0.103 0.000 0.949 883 N CB 0.862 39.288 38.487 -0.101 0.000 1.110 883 N HN -0.004 nan 8.380 nan 0.000 0.490 884 P HA -0.066 nan 4.420 nan 0.000 0.226 884 P C 0.723 177.868 177.300 -0.259 0.000 1.153 884 P CA 0.592 63.589 63.100 -0.171 0.000 0.777 884 P CB 0.260 31.886 31.700 -0.124 0.000 0.794 885 A N -0.453 122.220 122.820 -0.246 0.000 2.015 885 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 885 A C 1.272 178.542 177.584 -0.523 0.000 1.163 885 A CA 0.874 52.724 52.037 -0.310 0.000 0.646 885 A CB -0.795 18.091 19.000 -0.191 0.000 0.806 885 A HN 0.233 nan 8.150 nan 0.000 0.448 886 N N -1.205 117.231 118.700 -0.439 0.000 2.463 886 N HA 0.566 5.305 4.740 -0.001 0.000 0.270 886 N C -1.075 174.076 175.510 -0.598 0.000 1.205 886 N CA -0.071 52.734 53.050 -0.408 0.000 0.974 886 N CB 0.469 38.847 38.487 -0.181 0.000 1.197 886 N HN 0.164 nan 8.380 nan 0.000 0.504 887 F N -0.450 119.444 119.950 -0.093 0.000 2.520 887 F HA 0.519 5.045 4.527 -0.001 0.000 0.322 887 F C -0.002 175.717 175.800 -0.135 0.000 1.103 887 F CA -0.897 57.041 58.000 -0.103 0.000 0.926 887 F CB 1.530 40.476 39.000 -0.089 0.000 1.154 887 F HN -0.080 nan 8.300 nan 0.000 0.453 888 V N 1.706 121.615 119.914 -0.009 0.000 2.656 888 V HA 0.891 5.011 4.120 -0.001 0.000 0.307 888 V C -0.053 175.995 176.094 -0.077 0.000 1.051 888 V CA -0.678 61.520 62.300 -0.171 0.000 0.893 888 V CB 1.725 33.219 31.823 -0.548 0.000 0.999 888 V HN 0.948 nan 8.190 nan 0.000 0.426 889 G N 2.163 110.988 108.800 0.041 0.000 2.605 889 G HA2 0.914 4.874 3.960 -0.001 0.000 0.296 889 G HA3 0.914 4.874 3.960 -0.001 0.000 0.296 889 G C -1.208 173.848 174.900 0.259 0.000 1.304 889 G CA -0.338 44.839 45.100 0.129 0.000 0.941 889 G HN 1.235 nan 8.290 nan 0.000 0.475 890 A N -0.862 122.084 122.820 0.210 0.000 2.547 890 A HA 0.990 5.310 4.320 -0.001 0.000 0.297 890 A C -0.080 177.550 177.584 0.077 0.000 1.056 890 A CA 0.160 52.351 52.037 0.257 0.000 0.688 890 A CB 1.702 20.874 19.000 0.287 0.000 1.282 890 A HN 2.209 nan 8.150 nan 0.000 0.400 891 G N -0.290 108.584 108.800 0.124 0.000 2.561 891 G HA2 0.603 4.562 3.960 -0.001 0.000 0.310 891 G HA3 0.603 4.562 3.960 -0.001 0.000 0.310 891 G C -1.812 173.222 174.900 0.224 0.000 1.292 891 G CA -0.476 44.566 45.100 -0.097 0.000 0.811 891 G HN 0.839 nan 8.290 nan 0.000 0.482 892 I N 0.774 121.455 120.570 0.185 0.000 2.498 892 I HA 0.376 4.546 4.170 -0.001 0.000 0.290 892 I C -0.570 175.713 176.117 0.278 0.000 1.032 892 I CA -0.858 60.536 61.300 0.156 0.000 1.073 892 I CB 2.187 40.127 38.000 -0.101 0.000 1.251 892 I HN 0.173 nan 8.210 nan 0.000 0.426 893 I N 5.490 126.170 120.570 0.184 0.000 2.352 893 I HA 0.183 4.352 4.170 -0.001 0.000 0.290 893 I C 0.160 176.295 176.117 0.030 0.000 1.036 893 I CA -0.226 61.171 61.300 0.162 0.000 1.336 893 I CB 0.303 38.326 38.000 0.039 0.000 1.407 893 I HN 0.426 nan 8.210 nan 0.000 0.497 894 H N 4.982 124.170 119.070 0.196 0.000 2.604 894 H HA 0.325 4.880 4.556 -0.002 0.000 0.306 894 H C 0.421 175.789 175.328 0.068 0.000 1.075 894 H CA -0.091 56.040 56.048 0.138 0.000 1.357 894 H CB 1.545 31.411 29.762 0.173 0.000 1.426 894 H HN 0.599 nan 8.280 nan 0.000 0.470 895 T N -0.922 113.693 114.554 0.101 0.000 2.883 895 T HA 0.197 4.546 4.350 -0.001 0.000 0.284 895 T C 1.291 176.007 174.700 0.027 0.000 1.041 895 T CA -1.055 61.056 62.100 0.017 0.000 1.007 895 T CB 2.293 71.159 68.868 -0.003 0.000 1.220 895 T HN 0.466 nan 8.240 nan 0.000 0.552 896 K N -0.143 120.252 120.400 -0.009 0.000 2.147 896 K HA -0.067 4.252 4.320 -0.001 0.000 0.205 896 K C 1.750 178.359 176.600 0.015 0.000 1.049 896 K CA 2.019 58.307 56.287 0.002 0.000 0.936 896 K CB -0.383 32.107 32.500 -0.017 0.000 0.722 896 K HN 0.815 nan 8.250 nan 0.000 0.446 897 T N -4.400 110.160 114.554 0.011 0.000 3.004 897 T HA 0.168 4.518 4.350 -0.001 0.000 0.266 897 T C 0.321 175.028 174.700 0.011 0.000 0.986 897 T CA -0.308 61.798 62.100 0.010 0.000 0.902 897 T CB 0.738 69.608 68.868 0.002 0.000 1.118 897 T HN 0.029 nan 8.240 nan 0.000 0.522 898 T N 0.822 115.383 114.554 0.012 0.000 2.840 898 T HA 0.436 4.786 4.350 -0.001 0.000 0.317 898 T C -2.238 172.456 174.700 -0.010 0.000 1.401 898 T CA -0.591 61.511 62.100 0.002 0.000 1.028 898 T CB 2.202 71.067 68.868 -0.006 0.000 1.317 898 T HN 0.239 nan 8.240 nan 0.000 0.495 899 Q N 1.954 121.731 119.800 -0.038 0.000 2.293 899 Q HA 0.621 4.960 4.340 -0.001 0.000 0.261 899 Q C -0.903 175.054 176.000 -0.071 0.000 0.960 899 Q CA -0.634 55.102 55.803 -0.112 0.000 0.882 899 Q CB 2.084 30.737 28.738 -0.141 0.000 1.275 899 Q HN 0.519 nan 8.270 nan 0.000 0.445 900 I N 1.569 122.101 120.570 -0.064 0.000 2.354 900 I HA 0.289 4.459 4.170 -0.001 0.000 0.286 900 I C 0.564 176.683 176.117 0.003 0.000 1.007 900 I CA -0.466 60.816 61.300 -0.029 0.000 1.167 900 I CB 1.689 39.672 38.000 -0.029 0.000 1.320 900 I HN 0.604 nan 8.210 nan 0.000 0.458 901 G N 5.470 114.275 108.800 0.008 0.000 2.365 901 G HA2 0.323 4.283 3.960 -0.001 0.000 0.249 901 G HA3 0.323 4.283 3.960 -0.001 0.000 0.249 901 G C -0.594 174.353 174.900 0.078 0.000 1.288 901 G CA 0.001 45.131 45.100 0.050 0.000 0.887 901 G HN 0.663 nan 8.290 nan 0.000 0.524 902 C N 3.032 122.443 119.300 0.185 0.000 2.396 902 C HA 0.638 5.098 4.460 -0.001 0.000 0.321 902 C C 0.105 175.282 174.990 0.311 0.000 1.233 902 C CA -0.743 58.400 59.018 0.209 0.000 1.440 902 C CB 0.298 28.160 27.740 0.204 0.000 2.110 902 C HN 0.628 nan 8.230 nan 0.000 0.473 903 L N 4.065 125.452 121.223 0.275 0.000 2.354 903 L HA 0.904 5.243 4.340 -0.001 0.000 0.269 903 L C -0.657 176.533 176.870 0.533 0.000 1.005 903 L CA -0.699 54.409 54.840 0.448 0.000 0.819 903 L CB 1.571 43.882 42.059 0.421 0.000 1.311 903 L HN 0.628 nan 8.230 nan 0.000 0.423 904 L N 0.279 121.847 121.223 0.575 0.000 2.465 904 L HA 0.755 5.094 4.340 -0.001 0.000 0.257 904 L C -0.917 176.148 176.870 0.324 0.000 0.988 904 L CA -0.662 54.447 54.840 0.448 0.000 0.827 904 L CB 2.109 44.351 42.059 0.305 0.000 1.397 904 L HN 0.587 nan 8.230 nan 0.000 0.410 905 R N 2.130 122.785 120.500 0.259 0.000 2.532 905 R HA 0.774 5.114 4.340 -0.001 0.000 0.297 905 R C -2.061 174.308 176.300 0.115 0.000 0.984 905 R CA -0.768 55.394 56.100 0.103 0.000 0.884 905 R CB 1.895 32.198 30.300 0.004 0.000 1.182 905 R HN 0.835 nan 8.270 nan 0.000 0.442 906 L N 3.511 124.795 121.223 0.103 0.000 2.325 906 L HA 0.444 4.784 4.340 -0.001 0.000 0.281 906 L C -1.133 175.848 176.870 0.185 0.000 1.004 906 L CA -0.013 54.885 54.840 0.097 0.000 0.823 906 L CB 1.779 43.798 42.059 -0.066 0.000 1.236 906 L HN 0.654 nan 8.230 nan 0.000 0.415 907 E N 7.226 127.509 120.200 0.138 0.000 2.141 907 E HA 0.383 4.732 4.350 -0.001 0.000 0.259 907 E C -2.472 174.160 176.600 0.054 0.000 0.883 907 E CA -1.846 54.597 56.400 0.072 0.000 0.744 907 E CB 1.282 30.994 29.700 0.019 0.000 1.150 907 E HN 0.428 nan 8.360 nan 0.000 0.420 908 P HA 0.079 nan 4.420 nan 0.000 0.282 908 P C -0.792 176.359 177.300 -0.249 0.000 1.249 908 P CA -0.556 62.390 63.100 -0.258 0.000 0.806 908 P CB 0.830 32.452 31.700 -0.131 0.000 0.984 909 N N 2.594 121.087 118.700 -0.345 0.000 2.564 909 N HA 0.087 4.827 4.740 -0.001 0.000 0.248 909 N C 0.596 175.970 175.510 -0.227 0.000 0.986 909 N CA -0.458 52.458 53.050 -0.222 0.000 0.921 909 N CB 0.530 38.909 38.487 -0.180 0.000 1.136 909 N HN 0.140 nan 8.380 nan 0.000 0.509 910 L N 4.111 125.234 121.223 -0.166 0.000 2.056 910 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 910 L C 1.615 178.422 176.870 -0.105 0.000 1.078 910 L CA 1.995 56.755 54.840 -0.134 0.000 0.749 910 L CB -0.258 41.749 42.059 -0.088 0.000 0.901 910 L HN 0.543 nan 8.230 nan 0.000 0.433 911 Q N -0.407 119.339 119.800 -0.089 0.000 2.172 911 Q HA 0.089 4.428 4.340 -0.001 0.000 0.200 911 Q C 2.084 178.044 176.000 -0.067 0.000 0.964 911 Q CA 1.549 57.313 55.803 -0.066 0.000 0.855 911 Q CB -0.428 28.277 28.738 -0.055 0.000 0.918 911 Q HN 0.609 nan 8.270 nan 0.000 0.444 912 A N -0.243 122.524 122.820 -0.087 0.000 2.195 912 A HA 0.020 4.339 4.320 -0.001 0.000 0.210 912 A C 0.137 177.663 177.584 -0.096 0.000 1.165 912 A CA 0.036 52.025 52.037 -0.081 0.000 0.806 912 A CB 0.053 19.003 19.000 -0.084 0.000 0.847 912 A HN 0.330 nan 8.150 nan 0.000 0.482 913 Q N -1.047 118.674 119.800 -0.132 0.000 2.451 913 Q HA -0.161 4.178 4.340 -0.001 0.000 0.305 913 Q C -0.637 175.245 176.000 -0.196 0.000 1.345 913 Q CA 0.715 56.426 55.803 -0.154 0.000 0.854 913 Q CB -1.231 27.467 28.738 -0.066 0.000 1.162 913 Q HN 0.551 nan 8.270 nan 0.000 0.440 914 M N -0.088 119.333 119.600 -0.298 0.000 2.662 914 M HA 0.529 5.008 4.480 -0.001 0.000 0.310 914 M C -0.558 175.414 176.300 -0.547 0.000 1.204 914 M CA -0.486 54.631 55.300 -0.306 0.000 0.891 914 M CB 1.527 34.011 32.600 -0.194 0.000 1.732 914 M HN 0.093 nan 8.290 nan 0.000 0.467 915 Y N -0.222 119.726 120.300 -0.587 0.000 2.485 915 Y HA 0.586 5.136 4.550 -0.001 0.000 0.345 915 Y C 0.029 175.619 175.900 -0.517 0.000 0.998 915 Y CA -0.812 56.918 58.100 -0.617 0.000 1.059 915 Y CB 1.911 39.811 38.460 -0.934 0.000 1.234 915 Y HN 0.542 nan 8.280 nan 0.000 0.461 916 R N 2.785 123.244 120.500 -0.068 0.000 2.310 916 R HA 0.591 4.931 4.340 -0.001 0.000 0.324 916 R C -2.000 174.360 176.300 0.101 0.000 0.955 916 R CA -0.783 55.330 56.100 0.022 0.000 0.830 916 R CB 0.712 31.033 30.300 0.035 0.000 1.154 916 R HN 0.652 nan 8.270 nan 0.000 0.458 917 L N 3.614 124.951 121.223 0.190 0.000 2.307 917 L HA 0.539 4.878 4.340 -0.001 0.000 0.284 917 L C -1.202 175.786 176.870 0.196 0.000 1.023 917 L CA 0.184 55.145 54.840 0.201 0.000 0.810 917 L CB 2.223 44.453 42.059 0.285 0.000 1.231 917 L HN 0.633 nan 8.230 nan 0.000 0.423 918 T N 5.998 120.682 114.554 0.217 0.000 2.848 918 T HA 0.638 4.987 4.350 -0.001 0.000 0.285 918 T C -0.839 174.037 174.700 0.294 0.000 0.995 918 T CA -0.274 61.985 62.100 0.264 0.000 0.970 918 T CB 1.258 70.355 68.868 0.382 0.000 0.976 918 T HN 0.419 nan 8.240 nan 0.000 0.441 919 L N 3.250 124.585 121.223 0.186 0.000 2.349 919 L HA 0.547 4.886 4.340 -0.001 0.000 0.278 919 L C -0.046 176.834 176.870 0.016 0.000 0.996 919 L CA -0.501 54.427 54.840 0.147 0.000 0.825 919 L CB 1.450 43.564 42.059 0.093 0.000 1.243 919 L HN 0.390 nan 8.230 nan 0.000 0.412 920 R N 1.879 122.346 120.500 -0.055 0.000 2.343 920 R HA 0.715 5.054 4.340 -0.001 0.000 0.320 920 R C -0.600 175.625 176.300 -0.124 0.000 0.956 920 R CA -0.478 55.473 56.100 -0.249 0.000 0.836 920 R CB 1.986 31.854 30.300 -0.720 0.000 1.151 920 R HN 0.657 nan 8.270 nan 0.000 0.450 921 T N -1.972 112.516 114.554 -0.111 0.000 2.864 921 T HA 0.133 4.483 4.350 -0.001 0.000 0.299 921 T C 0.886 175.537 174.700 -0.082 0.000 1.166 921 T CA -0.699 61.357 62.100 -0.072 0.000 1.007 921 T CB 1.658 70.496 68.868 -0.051 0.000 1.219 921 T HN 0.419 nan 8.240 nan 0.000 0.506 922 S N 0.079 115.740 115.700 -0.064 0.000 2.607 922 S HA 0.140 4.609 4.470 -0.001 0.000 0.224 922 S C 0.539 175.108 174.600 -0.052 0.000 0.969 922 S CA 0.072 58.236 58.200 -0.060 0.000 0.927 922 S CB -0.516 62.656 63.200 -0.047 0.000 0.772 922 S HN 0.802 nan 8.310 nan 0.000 0.533 923 K N 1.407 121.776 120.400 -0.052 0.000 2.502 923 K HA 0.204 4.523 4.320 -0.001 0.000 0.254 923 K C -0.076 176.495 176.600 -0.048 0.000 0.947 923 K CA -0.349 55.911 56.287 -0.045 0.000 0.834 923 K CB 1.270 33.746 32.500 -0.040 0.000 1.112 923 K HN 0.029 nan 8.250 nan 0.000 0.427 924 D N 2.424 122.799 120.400 -0.042 0.000 2.116 924 D HA -0.260 4.379 4.640 -0.001 0.000 0.193 924 D C 1.325 177.602 176.300 -0.038 0.000 0.998 924 D CA 2.465 56.442 54.000 -0.039 0.000 0.836 924 D CB -0.782 40.000 40.800 -0.031 0.000 0.951 924 D HN 0.693 nan 8.370 nan 0.000 0.449 925 T N -1.408 113.124 114.554 -0.037 0.000 2.867 925 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 925 T C 2.213 176.878 174.700 -0.058 0.000 1.057 925 T CA 1.227 63.303 62.100 -0.039 0.000 1.136 925 T CB -0.799 68.050 68.868 -0.031 0.000 0.874 925 T HN 0.111 nan 8.240 nan 0.000 0.466 926 V N 1.826 121.700 119.914 -0.067 0.000 2.307 926 V HA -0.144 3.975 4.120 -0.001 0.000 0.245 926 V C 3.057 179.101 176.094 -0.084 0.000 1.045 926 V CA 1.949 64.193 62.300 -0.093 0.000 1.024 926 V CB -0.997 30.770 31.823 -0.094 0.000 0.651 926 V HN 0.512 nan 8.190 nan 0.000 0.449 927 S N -0.172 115.490 115.700 -0.063 0.000 2.370 927 S HA -0.330 4.139 4.470 -0.001 0.000 0.226 927 S C 1.994 176.574 174.600 -0.032 0.000 1.033 927 S CA 2.063 60.235 58.200 -0.046 0.000 1.011 927 S CB -0.385 62.788 63.200 -0.045 0.000 0.852 927 S HN 0.637 nan 8.310 nan 0.000 0.457 928 Q N 1.827 121.607 119.800 -0.034 0.000 2.020 928 Q HA -0.087 4.252 4.340 -0.001 0.000 0.202 928 Q C 2.143 178.125 176.000 -0.030 0.000 0.982 928 Q CA 1.763 57.551 55.803 -0.025 0.000 0.838 928 Q CB -0.417 28.307 28.738 -0.023 0.000 0.899 928 Q HN 0.293 nan 8.270 nan 0.000 0.423 929 R N -0.081 120.389 120.500 -0.050 0.000 2.081 929 R HA 0.002 4.342 4.340 -0.001 0.000 0.235 929 R C 2.241 178.520 176.300 -0.035 0.000 1.131 929 R CA 1.651 57.715 56.100 -0.061 0.000 0.960 929 R CB -0.791 29.439 30.300 -0.116 0.000 0.856 929 R HN 0.461 nan 8.270 nan 0.000 0.436 930 L N -0.719 120.484 121.223 -0.033 0.000 2.046 930 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 930 L C 2.687 179.589 176.870 0.055 0.000 1.077 930 L CA 1.444 56.325 54.840 0.068 0.000 0.747 930 L CB -0.629 41.425 42.059 -0.008 0.000 0.896 930 L HN 0.386 nan 8.230 nan 0.000 0.432 931 C N 0.967 120.268 119.300 0.002 0.000 2.429 931 C HA -0.166 4.293 4.460 -0.001 0.000 0.277 931 C C 2.791 177.749 174.990 -0.054 0.000 1.262 931 C CA 1.399 60.408 59.018 -0.016 0.000 1.733 931 C CB -0.794 26.951 27.740 0.010 0.000 2.010 931 C HN 0.670 nan 8.230 nan 0.000 0.483 932 E N 0.189 120.365 120.200 -0.041 0.000 2.152 932 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 932 E C 2.074 178.630 176.600 -0.073 0.000 0.983 932 E CA 1.029 57.391 56.400 -0.063 0.000 0.818 932 E CB -0.514 29.165 29.700 -0.036 0.000 0.758 932 E HN 0.617 nan 8.360 nan 0.000 0.467 933 L N 0.232 121.444 121.223 -0.018 0.000 2.027 933 L HA -0.135 4.204 4.340 -0.001 0.000 0.206 933 L C 2.577 179.399 176.870 -0.080 0.000 1.074 933 L CA 0.644 55.498 54.840 0.024 0.000 0.745 933 L CB -0.277 41.900 42.059 0.197 0.000 0.898 933 L HN 0.191 nan 8.230 nan 0.000 0.433 934 L N -0.893 120.201 121.223 -0.215 0.000 2.109 934 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 934 L C 2.579 179.292 176.870 -0.261 0.000 1.086 934 L CA 1.550 56.102 54.840 -0.480 0.000 0.760 934 L CB -0.445 41.155 42.059 -0.766 0.000 0.910 934 L HN 0.066 nan 8.230 nan 0.000 0.437 935 S N -0.415 115.133 115.700 -0.253 0.000 2.402 935 S HA -0.246 4.223 4.470 -0.001 0.000 0.233 935 S C 1.803 176.037 174.600 -0.611 0.000 1.030 935 S CA 1.515 59.387 58.200 -0.547 0.000 1.003 935 S CB -0.331 62.492 63.200 -0.629 0.000 0.813 935 S HN 0.528 nan 8.310 nan 0.000 0.477 936 E N 0.760 120.738 120.200 -0.369 0.000 2.482 936 E HA -0.010 4.340 4.350 -0.001 0.000 0.196 936 E C 1.628 178.089 176.600 -0.232 0.000 1.047 936 E CA 0.515 56.755 56.400 -0.267 0.000 0.869 936 E CB -0.023 29.576 29.700 -0.167 0.000 0.836 936 E HN 0.264 nan 8.360 nan 0.000 0.520 937 Q N -0.824 118.731 119.800 -0.409 0.000 2.408 937 Q HA 0.147 4.486 4.340 -0.001 0.000 0.205 937 Q C -0.277 175.380 176.000 -0.573 0.000 0.919 937 Q CA 0.347 55.803 55.803 -0.579 0.000 0.932 937 Q CB 0.264 28.421 28.738 -0.968 0.000 1.058 937 Q HN 0.202 nan 8.270 nan 0.000 0.517 938 F N 0.000 119.977 119.950 0.044 0.000 2.286 938 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 938 F CA 0.000 58.073 58.000 0.121 0.000 1.383 938 F CB 0.000 38.819 39.000 -0.302 0.000 1.145 938 F HN 0.000 nan 8.300 nan 0.000 0.574