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 2ity_1_A DATA FIRST_RESID 697 DATA SEQUENCE EAPNQALLRI LKETEFKKIK VLGSGAFGTV YKGLWIPEGE KVKIPVAIKE DATA SEQUENCE LREATSPKAN KEILDEAYVM ASVDNPHVCR LLGICLTSTV QLITQLMPFG DATA SEQUENCE CLLDYVREHK DNIGSQYLLN WCVQIAKGMN YLEDRRLVHR DLAARNVLVK DATA SEQUENCE TPQHVKITDF GLAKLLGAEX XXXXXXXXXV PIKWMALESI LHRIYTHQSD DATA SEQUENCE VWSYGVTVWE LMTFGSKPYD GIPASEISSI LEKGERLPQP PICTIDVYMI DATA SEQUENCE MVKCWMIDAD SRPKFRELII EFSKMARDPQ RYLVIQGDER MHLXXXXXXX DATA SEQUENCE XXXXXXDEED MDDVVDADEY LIP 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 697 E HA 0.000 nan 4.350 nan 0.000 0.291 697 E C 0.000 176.606 176.600 0.011 0.000 1.382 697 E CA 0.000 56.407 56.400 0.012 0.000 0.976 697 E CB 0.000 29.710 29.700 0.016 0.000 0.812 698 A N 4.597 127.421 122.820 0.008 0.000 2.483 698 A HA 0.488 4.808 4.320 -0.000 0.000 0.238 698 A C -1.877 175.713 177.584 0.011 0.000 1.070 698 A CA -0.610 51.430 52.037 0.005 0.000 0.770 698 A CB -0.343 18.655 19.000 -0.002 0.000 1.008 698 A HN 0.450 nan 8.150 nan 0.000 0.497 699 P HA 0.104 nan 4.420 nan 0.000 0.275 699 P C -0.843 176.464 177.300 0.010 0.000 1.228 699 P CA -0.332 62.777 63.100 0.016 0.000 0.786 699 P CB 0.427 32.134 31.700 0.012 0.000 0.927 700 N N 1.965 120.676 118.700 0.020 0.000 2.558 700 N HA 0.078 4.818 4.740 -0.000 0.000 0.233 700 N C 0.189 175.689 175.510 -0.017 0.000 1.038 700 N CA -0.333 52.712 53.050 -0.008 0.000 0.934 700 N CB 0.260 38.741 38.487 -0.011 0.000 1.175 700 N HN 0.283 nan 8.380 nan 0.000 0.512 701 Q N 2.059 121.845 119.800 -0.023 0.000 2.211 701 Q HA 0.231 4.571 4.340 -0.000 0.000 0.231 701 Q C 0.221 176.200 176.000 -0.035 0.000 0.865 701 Q CA -0.525 55.267 55.803 -0.019 0.000 0.997 701 Q CB 0.837 29.569 28.738 -0.010 0.000 1.101 701 Q HN 0.590 nan 8.270 nan 0.000 0.468 702 A N 1.087 123.868 122.820 -0.065 0.000 2.555 702 A HA 0.103 4.423 4.320 -0.000 0.000 0.233 702 A C -0.151 177.399 177.584 -0.058 0.000 1.060 702 A CA 0.131 52.120 52.037 -0.081 0.000 0.759 702 A CB 0.164 19.074 19.000 -0.150 0.000 0.995 702 A HN 0.458 nan 8.150 nan 0.000 0.506 703 L N 2.073 123.270 121.223 -0.044 0.000 2.289 703 L HA 0.405 4.745 4.340 -0.000 0.000 0.285 703 L C -0.181 176.669 176.870 -0.032 0.000 1.049 703 L CA -0.732 54.093 54.840 -0.025 0.000 0.804 703 L CB 1.107 43.161 42.059 -0.008 0.000 1.195 703 L HN 0.674 nan 8.230 nan 0.000 0.428 704 L N 4.409 125.618 121.223 -0.022 0.000 2.265 704 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 704 L C -0.033 176.832 176.870 -0.008 0.000 1.058 704 L CA 0.111 54.937 54.840 -0.023 0.000 0.809 704 L CB 0.925 42.977 42.059 -0.011 0.000 1.179 704 L HN 0.528 nan 8.230 nan 0.000 0.429 705 R N 5.119 125.609 120.500 -0.016 0.000 2.368 705 R HA 0.554 4.894 4.340 -0.000 0.000 0.302 705 R C -1.022 175.269 176.300 -0.014 0.000 1.002 705 R CA -0.666 55.436 56.100 0.004 0.000 0.929 705 R CB 0.877 31.194 30.300 0.029 0.000 1.073 705 R HN 0.627 nan 8.270 nan 0.000 0.464 706 I N 6.756 127.337 120.570 0.018 0.000 2.330 706 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 706 I C -0.368 175.776 176.117 0.046 0.000 1.001 706 I CA -0.492 60.818 61.300 0.018 0.000 1.193 706 I CB 1.304 39.321 38.000 0.027 0.000 1.345 706 I HN 0.520 nan 8.210 nan 0.000 0.461 707 L N 6.487 127.730 121.223 0.033 0.000 2.317 707 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 707 L C 0.704 177.658 176.870 0.140 0.000 1.024 707 L CA -0.907 53.996 54.840 0.105 0.000 0.810 707 L CB 1.424 43.473 42.059 -0.017 0.000 1.240 707 L HN 0.500 nan 8.230 nan 0.000 0.427 708 K N 1.343 121.825 120.400 0.137 0.000 2.143 708 K HA 0.020 4.340 4.320 -0.000 0.000 0.239 708 K C 0.576 177.132 176.600 -0.075 0.000 1.048 708 K CA -0.284 56.027 56.287 0.040 0.000 0.867 708 K CB 0.905 33.424 32.500 0.032 0.000 1.088 708 K HN 0.592 nan 8.250 nan 0.000 0.510 709 E N 0.235 120.308 120.200 -0.212 0.000 2.364 709 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 709 E C 1.307 177.571 176.600 -0.559 0.000 0.990 709 E CA 0.483 56.562 56.400 -0.535 0.000 0.886 709 E CB 0.295 29.788 29.700 -0.344 0.000 0.866 709 E HN 0.697 nan 8.360 nan 0.000 0.493 710 T N -1.829 112.567 114.554 -0.264 0.000 3.163 710 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 710 T C 1.356 175.985 174.700 -0.118 0.000 1.156 710 T CA 0.646 62.644 62.100 -0.170 0.000 1.072 710 T CB 0.078 68.895 68.868 -0.085 0.000 0.937 710 T HN 0.115 nan 8.240 nan 0.000 0.528 711 E N 0.183 120.311 120.200 -0.120 0.000 2.447 711 E HA 0.258 4.608 4.350 -0.000 0.000 0.195 711 E C -0.355 176.448 176.600 0.338 0.000 1.028 711 E CA -0.108 56.386 56.400 0.156 0.000 0.876 711 E CB 0.297 30.232 29.700 0.392 0.000 0.885 711 E HN 0.799 nan 8.360 nan 0.000 0.500 712 F N -0.787 119.256 119.950 0.154 0.000 2.628 712 F HA 0.448 4.975 4.527 -0.000 0.000 0.309 712 F C -1.548 174.292 175.800 0.066 0.000 1.108 712 F CA -1.420 56.668 58.000 0.147 0.000 0.971 712 F CB 0.896 40.017 39.000 0.202 0.000 1.279 712 F HN -0.375 nan 8.300 nan 0.000 0.441 713 K N 3.211 123.766 120.400 0.259 0.000 2.354 713 K HA 0.303 4.623 4.320 -0.000 0.000 0.257 713 K C -0.551 176.165 176.600 0.193 0.000 1.062 713 K CA -0.730 55.646 56.287 0.149 0.000 0.971 713 K CB 1.876 34.423 32.500 0.079 0.000 1.305 713 K HN 0.845 nan 8.250 nan 0.000 0.449 714 K N 2.634 123.166 120.400 0.220 0.000 2.580 714 K HA -0.068 4.252 4.320 -0.000 0.000 0.278 714 K C 0.056 176.749 176.600 0.155 0.000 0.960 714 K CA 0.611 57.017 56.287 0.198 0.000 0.988 714 K CB 0.344 32.950 32.500 0.177 0.000 0.887 714 K HN 0.663 nan 8.250 nan 0.000 0.509 715 I N 3.608 124.272 120.570 0.157 0.000 2.772 715 I HA 0.130 4.300 4.170 -0.000 0.000 0.326 715 I C -0.938 175.232 176.117 0.089 0.000 1.461 715 I CA -0.459 60.905 61.300 0.107 0.000 0.815 715 I CB 0.328 38.373 38.000 0.074 0.000 1.942 715 I HN 0.750 nan 8.210 nan 0.000 0.579 716 K N 0.841 121.308 120.400 0.112 0.000 9.263 716 K HA 0.042 4.362 4.320 -0.000 0.000 1.073 716 K C -1.807 174.776 176.600 -0.028 0.000 1.178 716 K CA -0.388 55.918 56.287 0.031 0.000 0.794 716 K CB 0.556 33.062 32.500 0.009 0.000 1.341 716 K HN -0.052 nan 8.250 nan 0.000 0.456 717 V N 5.160 124.959 119.914 -0.192 0.000 3.083 717 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 717 V C 1.130 177.123 176.094 -0.168 0.000 1.077 717 V CA 0.064 62.140 62.300 -0.373 0.000 1.073 717 V CB 1.341 32.846 31.823 -0.530 0.000 1.081 717 V HN 0.694 nan 8.190 nan 0.000 0.474 718 L N 1.411 122.551 121.223 -0.138 0.000 2.806 718 L HA 0.472 4.812 4.340 -0.000 0.000 0.242 718 L C 1.011 177.849 176.870 -0.053 0.000 1.068 718 L CA 0.688 55.491 54.840 -0.062 0.000 0.923 718 L CB 0.710 42.758 42.059 -0.018 0.000 1.364 718 L HN 0.765 nan 8.230 nan 0.000 0.511 719 G N 0.686 109.449 108.800 -0.061 0.000 3.582 719 G HA2 0.333 4.293 3.960 -0.000 0.000 0.302 719 G HA3 0.333 4.293 3.960 -0.000 0.000 0.302 719 G C -0.072 174.813 174.900 -0.025 0.000 1.418 719 G CA 0.132 45.216 45.100 -0.027 0.000 0.718 719 G HN 0.047 nan 8.290 nan 0.000 0.479 720 S N 0.724 116.390 115.700 -0.057 0.000 2.587 720 S HA 0.778 5.248 4.470 -0.000 0.000 0.252 720 S C 1.360 175.964 174.600 0.005 0.000 1.282 720 S CA 0.497 58.677 58.200 -0.033 0.000 0.977 720 S CB 0.229 63.392 63.200 -0.061 0.000 1.015 720 S HN 2.260 nan 8.310 nan 0.000 0.557 721 G N -0.039 108.766 108.800 0.007 0.000 2.682 721 G HA2 0.191 4.151 3.960 -0.000 0.000 0.256 721 G HA3 0.191 4.151 3.960 -0.000 0.000 0.256 721 G C 0.733 175.660 174.900 0.044 0.000 1.333 721 G CA 1.107 46.215 45.100 0.014 0.000 0.904 721 G HN 2.235 nan 8.290 nan 0.000 0.569 722 A N -2.460 120.387 122.820 0.046 0.000 2.290 722 A HA -0.258 4.062 4.320 -0.000 0.000 0.359 722 A C 1.858 179.518 177.584 0.127 0.000 1.653 722 A CA 3.535 55.624 52.037 0.088 0.000 1.039 722 A CB -1.363 17.699 19.000 0.102 0.000 1.478 722 A HN 2.361 nan 8.150 nan 0.000 0.694 723 F N -1.872 118.083 119.950 0.008 0.000 2.671 723 F HA 0.494 5.021 4.527 0.000 0.000 0.303 723 F C 1.495 177.307 175.800 0.021 0.000 0.935 723 F CA 1.385 59.392 58.000 0.012 0.000 1.136 723 F CB 0.653 39.658 39.000 0.008 0.000 0.929 723 F HN 0.837 nan 8.300 nan 0.000 0.659 724 G N -0.826 108.129 108.800 0.258 0.000 3.310 724 G HA2 0.474 4.433 3.960 -0.000 0.000 0.174 724 G HA3 0.474 4.433 3.960 -0.000 0.000 0.174 724 G C -1.158 173.825 174.900 0.139 0.000 1.097 724 G CA -0.021 45.198 45.100 0.198 0.000 0.795 724 G HN -0.100 nan 8.290 nan 0.000 0.670 725 T N 0.825 115.482 114.554 0.172 0.000 3.424 725 T HA 0.294 4.644 4.350 -0.000 0.000 0.293 725 T C -0.761 174.097 174.700 0.262 0.000 0.788 725 T CA -0.388 61.810 62.100 0.163 0.000 1.337 725 T CB 0.962 69.981 68.868 0.252 0.000 0.948 725 T HN 0.450 nan 8.240 nan 0.000 0.534 726 V N 3.834 123.836 119.914 0.146 0.000 2.425 726 V HA 0.176 4.296 4.120 -0.000 0.000 0.276 726 V C 0.110 176.301 176.094 0.163 0.000 1.017 726 V CA 0.181 62.574 62.300 0.154 0.000 1.062 726 V CB -1.090 30.776 31.823 0.072 0.000 0.997 726 V HN 0.602 nan 8.190 nan 0.000 0.476 727 Y N 4.013 124.317 120.300 0.007 0.000 2.540 727 Y HA 0.664 5.214 4.550 0.000 0.000 0.371 727 Y C 0.545 176.444 175.900 -0.002 0.000 1.337 727 Y CA -1.390 56.717 58.100 0.011 0.000 1.590 727 Y CB 0.778 39.255 38.460 0.027 0.000 1.676 727 Y HN 0.645 nan 8.280 nan 0.000 0.614 728 K N -0.795 119.735 120.400 0.216 0.000 2.557 728 K HA 0.730 5.050 4.320 -0.000 0.000 0.257 728 K C -0.870 175.799 176.600 0.114 0.000 0.933 728 K CA -0.575 55.775 56.287 0.105 0.000 0.820 728 K CB 1.980 34.512 32.500 0.054 0.000 1.330 728 K HN 0.763 nan 8.250 nan 0.000 0.432 729 G N 2.124 110.971 108.800 0.078 0.000 2.894 729 G HA2 0.545 4.505 3.960 -0.000 0.000 0.164 729 G HA3 0.545 4.505 3.960 -0.000 0.000 0.164 729 G C -1.765 173.188 174.900 0.088 0.000 1.180 729 G CA -0.933 44.229 45.100 0.102 0.000 0.997 729 G HN 0.449 nan 8.290 nan 0.000 0.572 730 L N -0.299 121.006 121.223 0.137 0.000 2.493 730 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 730 L C -1.917 175.104 176.870 0.251 0.000 0.954 730 L CA -0.606 54.316 54.840 0.137 0.000 0.844 730 L CB 2.931 45.046 42.059 0.093 0.000 1.302 730 L HN 0.651 nan 8.230 nan 0.000 0.405 731 W N 6.256 127.554 121.300 -0.003 0.000 2.417 731 W HA 0.639 5.299 4.660 -0.000 0.000 0.315 731 W C -1.303 175.201 176.519 -0.025 0.000 1.045 731 W CA -1.003 56.358 57.345 0.027 0.000 1.221 731 W CB 1.050 30.459 29.460 -0.085 0.000 1.309 731 W HN 0.221 nan 8.180 nan 0.000 0.453 732 I N 9.800 130.253 120.570 -0.195 0.000 2.442 732 I HA 0.207 4.377 4.170 -0.000 0.000 0.279 732 I C -1.689 174.092 176.117 -0.560 0.000 1.081 732 I CA -2.041 59.029 61.300 -0.382 0.000 1.197 732 I CB 1.103 39.018 38.000 -0.141 0.000 1.394 732 I HN 0.150 nan 8.210 nan 0.000 0.488 733 P HA -0.093 nan 4.420 nan 0.000 0.250 733 P C 0.080 177.215 177.300 -0.275 0.000 1.198 733 P CA 0.159 62.828 63.100 -0.720 0.000 1.118 733 P CB -0.112 31.027 31.700 -0.936 0.000 1.208 734 E N 3.479 123.613 120.200 -0.110 0.000 2.534 734 E HA 0.124 4.474 4.350 -0.000 0.000 0.264 734 E C 1.040 177.616 176.600 -0.041 0.000 0.981 734 E CA 0.600 56.966 56.400 -0.057 0.000 0.948 734 E CB -0.541 29.155 29.700 -0.007 0.000 0.934 734 E HN 0.674 nan 8.360 nan 0.000 0.459 735 G N 3.343 112.120 108.800 -0.039 0.000 2.212 735 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.255 735 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.255 735 G C 0.295 175.178 174.900 -0.028 0.000 1.062 735 G CA 0.401 45.487 45.100 -0.023 0.000 0.815 735 G HN 0.658 nan 8.290 nan 0.000 0.497 736 E N -1.071 119.094 120.200 -0.058 0.000 2.652 736 E HA 0.082 4.432 4.350 -0.000 0.000 0.197 736 E C 0.876 177.437 176.600 -0.065 0.000 0.936 736 E CA 0.105 56.473 56.400 -0.053 0.000 1.638 736 E CB 0.507 30.165 29.700 -0.069 0.000 1.884 736 E HN 0.625 nan 8.360 nan 0.000 1.005 737 K N 1.823 122.168 120.400 -0.093 0.000 3.239 737 K HA -0.140 4.180 4.320 -0.000 0.000 0.270 737 K C -1.177 175.367 176.600 -0.095 0.000 1.049 737 K CA 0.555 56.794 56.287 -0.080 0.000 0.769 737 K CB -1.457 31.015 32.500 -0.047 0.000 1.305 737 K HN 0.125 nan 8.250 nan 0.000 0.469 738 V N -0.746 119.071 119.914 -0.162 0.000 3.049 738 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 738 V C -1.294 174.654 176.094 -0.243 0.000 1.148 738 V CA -0.867 61.324 62.300 -0.182 0.000 0.990 738 V CB 1.957 33.657 31.823 -0.205 0.000 1.039 738 V HN 0.305 nan 8.190 nan 0.000 0.430 739 K N 5.030 125.324 120.400 -0.175 0.000 2.270 739 K HA 0.712 5.032 4.320 -0.000 0.000 0.255 739 K C -1.381 175.142 176.600 -0.130 0.000 0.936 739 K CA -0.607 55.590 56.287 -0.151 0.000 0.809 739 K CB 2.594 35.051 32.500 -0.071 0.000 1.131 739 K HN 0.704 nan 8.250 nan 0.000 0.427 740 I N 3.861 124.370 120.570 -0.100 0.000 2.411 740 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 740 I C -2.423 173.724 176.117 0.050 0.000 1.012 740 I CA -2.614 58.671 61.300 -0.025 0.000 1.119 740 I CB 1.854 39.849 38.000 -0.008 0.000 1.261 740 I HN 0.240 nan 8.210 nan 0.000 0.448 741 P HA 0.065 nan 4.420 nan 0.000 0.264 741 P C -0.907 176.410 177.300 0.030 0.000 1.193 741 P CA 0.018 63.134 63.100 0.027 0.000 0.763 741 P CB 0.553 32.259 31.700 0.010 0.000 0.810 742 V N 0.252 120.175 119.914 0.016 0.000 3.049 742 V HA 0.930 5.050 4.120 -0.000 0.000 0.309 742 V C -0.755 175.314 176.094 -0.041 0.000 1.148 742 V CA -1.440 60.845 62.300 -0.026 0.000 0.990 742 V CB 1.879 33.652 31.823 -0.084 0.000 1.039 742 V HN 0.536 nan 8.190 nan 0.000 0.430 743 A N 3.310 126.097 122.820 -0.055 0.000 2.330 743 A HA 0.985 5.305 4.320 -0.000 0.000 0.329 743 A C -0.639 176.893 177.584 -0.088 0.000 1.135 743 A CA -0.887 51.129 52.037 -0.035 0.000 0.817 743 A CB 1.283 20.278 19.000 -0.008 0.000 1.269 743 A HN 1.047 nan 8.150 nan 0.000 0.469 744 I N 0.944 121.485 120.570 -0.048 0.000 2.529 744 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 744 I C -0.427 175.683 176.117 -0.011 0.000 1.088 744 I CA -0.265 60.971 61.300 -0.108 0.000 1.062 744 I CB 2.011 39.914 38.000 -0.162 0.000 1.218 744 I HN 0.720 nan 8.210 nan 0.000 0.442 745 K N 6.177 126.565 120.400 -0.021 0.000 2.290 745 K HA 0.185 4.505 4.320 -0.000 0.000 0.250 745 K C 0.231 176.854 176.600 0.039 0.000 1.092 745 K CA -0.223 56.087 56.287 0.038 0.000 1.006 745 K CB 0.488 33.004 32.500 0.027 0.000 1.549 745 K HN 0.542 nan 8.250 nan 0.000 0.436 746 E N 6.218 126.452 120.200 0.056 0.000 2.280 746 E HA 0.076 4.426 4.350 -0.000 0.000 0.279 746 E C -0.504 176.161 176.600 0.109 0.000 1.325 746 E CA -0.380 56.044 56.400 0.041 0.000 1.486 746 E CB 0.090 29.755 29.700 -0.058 0.000 1.466 746 E HN 0.605 nan 8.360 nan 0.000 0.473 747 L N 2.074 123.379 121.223 0.137 0.000 2.667 747 L HA -0.114 4.226 4.340 -0.000 0.000 0.296 747 L C 0.796 177.751 176.870 0.142 0.000 1.252 747 L CA 0.289 55.252 54.840 0.205 0.000 0.891 747 L CB -0.087 42.170 42.059 0.329 0.000 1.141 747 L HN 0.497 nan 8.230 nan 0.000 0.501 748 R N 2.475 123.032 120.500 0.095 0.000 4.076 748 R HA -0.230 4.110 4.340 -0.000 0.000 0.094 748 R C 1.288 177.593 176.300 0.009 0.000 0.407 748 R CA 0.543 56.640 56.100 -0.004 0.000 0.736 748 R CB -0.141 30.057 30.300 -0.170 0.000 1.174 748 R HN 0.610 nan 8.270 nan 0.000 0.196 749 E N 3.795 124.009 120.200 0.023 0.000 2.086 749 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 749 E C 0.214 176.818 176.600 0.007 0.000 1.012 749 E CA 1.736 58.150 56.400 0.023 0.000 0.812 749 E CB -0.269 29.446 29.700 0.025 0.000 0.743 749 E HN 0.758 nan 8.360 nan 0.000 0.453 750 A N 1.423 124.236 122.820 -0.013 0.000 2.498 750 A HA -0.121 4.198 4.320 -0.000 0.000 0.287 750 A C 0.488 178.069 177.584 -0.004 0.000 1.000 750 A CA 0.980 53.005 52.037 -0.020 0.000 1.036 750 A CB -0.501 18.471 19.000 -0.047 0.000 0.842 750 A HN 0.103 nan 8.150 nan 0.000 0.474 751 T N 3.573 118.130 114.554 0.005 0.000 3.607 751 T HA 0.159 4.509 4.350 -0.000 0.000 0.225 751 T C 0.556 175.265 174.700 0.016 0.000 0.904 751 T CA 0.329 62.439 62.100 0.017 0.000 0.962 751 T CB -0.588 68.288 68.868 0.014 0.000 1.221 751 T HN 0.593 nan 8.240 nan 0.000 0.641 752 S N 3.721 119.430 115.700 0.016 0.000 2.465 752 S HA 0.125 4.595 4.470 -0.000 0.000 0.280 752 S C -1.102 173.517 174.600 0.030 0.000 1.232 752 S CA -1.190 57.020 58.200 0.017 0.000 1.066 752 S CB 1.068 64.274 63.200 0.010 0.000 0.929 752 S HN 0.290 nan 8.310 nan 0.000 0.494 753 P HA -0.239 nan 4.420 nan 0.000 0.219 753 P C 1.542 178.859 177.300 0.028 0.000 1.151 753 P CA 1.027 64.140 63.100 0.021 0.000 0.850 753 P CB 0.173 31.881 31.700 0.013 0.000 0.784 754 K N 0.505 120.926 120.400 0.035 0.000 1.998 754 K HA -0.225 4.095 4.320 -0.000 0.000 0.228 754 K C 1.896 178.539 176.600 0.071 0.000 1.053 754 K CA 2.631 58.949 56.287 0.051 0.000 0.988 754 K CB -1.449 31.089 32.500 0.062 0.000 0.735 754 K HN 0.072 nan 8.250 nan 0.000 0.448 755 A N 0.334 123.222 122.820 0.113 0.000 2.067 755 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 755 A C 1.852 179.494 177.584 0.097 0.000 1.156 755 A CA 1.174 53.309 52.037 0.162 0.000 0.683 755 A CB -0.489 18.717 19.000 0.343 0.000 0.808 755 A HN 0.538 nan 8.150 nan 0.000 0.455 756 N N 0.138 118.880 118.700 0.069 0.000 2.272 756 N HA -0.182 4.558 4.740 -0.000 0.000 0.185 756 N C 1.823 177.347 175.510 0.023 0.000 1.014 756 N CA 1.289 54.365 53.050 0.043 0.000 0.870 756 N CB -0.063 38.443 38.487 0.032 0.000 0.975 756 N HN 0.481 nan 8.380 nan 0.000 0.433 757 K N 2.143 122.553 120.400 0.017 0.000 2.062 757 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 757 K C 1.339 177.932 176.600 -0.012 0.000 1.051 757 K CA 1.219 57.504 56.287 -0.002 0.000 0.941 757 K CB -0.023 32.472 32.500 -0.007 0.000 0.719 757 K HN 0.207 nan 8.250 nan 0.000 0.440 758 E N 0.473 120.667 120.200 -0.010 0.000 2.204 758 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 758 E C 1.971 178.543 176.600 -0.046 0.000 0.990 758 E CA 0.892 57.266 56.400 -0.044 0.000 0.821 758 E CB -0.006 29.642 29.700 -0.086 0.000 0.750 758 E HN 0.357 nan 8.360 nan 0.000 0.477 759 I N 0.164 120.723 120.570 -0.019 0.000 3.035 759 I HA -0.090 4.080 4.170 -0.000 0.000 0.271 759 I C 1.561 177.682 176.117 0.006 0.000 1.190 759 I CA 0.365 61.659 61.300 -0.011 0.000 1.472 759 I CB 0.363 38.369 38.000 0.010 0.000 1.116 759 I HN 0.074 nan 8.210 nan 0.000 0.443 760 L N 0.310 121.539 121.223 0.010 0.000 2.341 760 L HA -0.083 4.257 4.340 -0.000 0.000 0.214 760 L C 1.720 178.618 176.870 0.046 0.000 1.115 760 L CA 0.585 55.440 54.840 0.025 0.000 0.820 760 L CB -0.401 41.667 42.059 0.016 0.000 0.944 760 L HN 0.154 nan 8.230 nan 0.000 0.452 761 D N -0.021 120.391 120.400 0.019 0.000 2.103 761 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 761 D C 2.075 178.420 176.300 0.076 0.000 0.978 761 D CA 0.864 54.882 54.000 0.030 0.000 0.829 761 D CB 0.098 40.886 40.800 -0.019 0.000 0.981 761 D HN 0.230 nan 8.370 nan 0.000 0.464 762 E N 0.548 120.773 120.200 0.042 0.000 2.033 762 E HA -0.247 4.103 4.350 -0.000 0.000 0.199 762 E C 2.064 178.691 176.600 0.045 0.000 1.011 762 E CA 1.268 57.703 56.400 0.059 0.000 0.815 762 E CB -0.143 29.580 29.700 0.038 0.000 0.755 762 E HN 0.196 nan 8.360 nan 0.000 0.451 763 A N 0.891 123.732 122.820 0.033 0.000 1.892 763 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 763 A C 2.055 179.635 177.584 -0.006 0.000 1.188 763 A CA 1.852 53.892 52.037 0.003 0.000 0.631 763 A CB -1.096 17.909 19.000 0.008 0.000 0.822 763 A HN 0.459 nan 8.150 nan 0.000 0.447 764 Y N 0.858 121.120 120.300 -0.062 0.000 2.040 764 Y HA -0.305 4.245 4.550 -0.000 0.000 0.275 764 Y C 2.373 178.213 175.900 -0.100 0.000 1.171 764 Y CA 2.448 60.508 58.100 -0.067 0.000 1.123 764 Y CB -0.646 37.783 38.460 -0.052 0.000 0.963 764 Y HN 0.089 nan 8.280 nan 0.000 0.493 765 V N 0.899 120.793 119.914 -0.033 0.000 2.219 765 V HA -0.454 3.666 4.120 -0.000 0.000 0.248 765 V C 2.501 178.350 176.094 -0.408 0.000 1.053 765 V CA 2.648 64.808 62.300 -0.234 0.000 1.009 765 V CB -0.863 30.849 31.823 -0.185 0.000 0.636 765 V HN 0.545 nan 8.190 nan 0.000 0.445 766 M N -0.300 119.079 119.600 -0.367 0.000 2.195 766 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 766 M C 2.142 178.298 176.300 -0.240 0.000 1.066 766 M CA 2.056 57.157 55.300 -0.332 0.000 1.089 766 M CB -0.523 31.998 32.600 -0.133 0.000 1.377 766 M HN 0.466 nan 8.290 nan 0.000 0.411 767 A N -1.425 121.262 122.820 -0.223 0.000 2.119 767 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 767 A C 2.071 179.528 177.584 -0.211 0.000 1.153 767 A CA 1.454 53.377 52.037 -0.190 0.000 0.692 767 A CB -0.247 18.648 19.000 -0.175 0.000 0.799 767 A HN 0.417 nan 8.150 nan 0.000 0.458 768 S N -1.018 114.514 115.700 -0.279 0.000 2.539 768 S HA 0.244 4.714 4.470 -0.000 0.000 0.221 768 S C 0.497 175.009 174.600 -0.146 0.000 0.987 768 S CA 0.299 58.344 58.200 -0.259 0.000 0.929 768 S CB 0.152 63.108 63.200 -0.407 0.000 0.832 768 S HN 0.514 nan 8.310 nan 0.000 0.492 769 V N 0.549 120.374 119.914 -0.149 0.000 2.713 769 V HA 0.823 4.943 4.120 -0.000 0.000 0.307 769 V C -0.924 175.131 176.094 -0.065 0.000 1.052 769 V CA -0.877 61.415 62.300 -0.014 0.000 0.967 769 V CB 1.737 33.498 31.823 -0.103 0.000 1.019 769 V HN 0.088 nan 8.190 nan 0.000 0.459 770 D N 2.257 122.598 120.400 -0.098 0.000 2.354 770 D HA 0.356 4.996 4.640 -0.000 0.000 0.230 770 D C -1.373 174.636 176.300 -0.485 0.000 1.361 770 D CA -0.102 53.771 54.000 -0.211 0.000 0.992 770 D CB 0.838 41.595 40.800 -0.071 0.000 1.409 770 D HN 0.950 nan 8.370 nan 0.000 0.573 771 N N 4.146 122.518 118.700 -0.547 0.000 2.846 771 N HA 0.172 4.912 4.740 -0.000 0.000 0.248 771 N C -2.422 172.885 175.510 -0.338 0.000 1.097 771 N CA -1.106 51.589 53.050 -0.591 0.000 1.013 771 N CB 2.163 39.881 38.487 -1.281 0.000 1.686 771 N HN 0.004 nan 8.380 nan 0.000 0.520 772 P HA -0.093 nan 4.420 nan 0.000 0.218 772 P C 0.132 177.211 177.300 -0.369 0.000 1.146 772 P CA 1.365 64.279 63.100 -0.309 0.000 0.820 772 P CB -0.009 31.415 31.700 -0.461 0.000 0.778 773 H N -2.098 116.966 119.070 -0.010 0.000 2.488 773 H HA 0.369 4.924 4.556 -0.000 0.000 0.294 773 H C -0.156 175.195 175.328 0.040 0.000 1.088 773 H CA -0.054 56.019 56.048 0.041 0.000 1.086 773 H CB 0.403 30.172 29.762 0.012 0.000 1.569 773 H HN -0.030 nan 8.280 nan 0.000 0.548 774 V N 0.957 120.914 119.914 0.071 0.000 2.808 774 V HA 0.119 4.239 4.120 -0.000 0.000 0.308 774 V C 0.030 176.179 176.094 0.091 0.000 1.099 774 V CA -0.809 61.567 62.300 0.128 0.000 0.920 774 V CB 2.641 34.519 31.823 0.091 0.000 1.014 774 V HN 0.314 nan 8.190 nan 0.000 0.425 775 C N 4.840 124.246 119.300 0.177 0.000 2.464 775 C HA 0.430 4.890 4.460 -0.000 0.000 0.370 775 C C 0.765 175.805 174.990 0.084 0.000 1.267 775 C CA -0.325 58.760 59.018 0.112 0.000 1.781 775 C CB -0.629 27.189 27.740 0.130 0.000 2.431 775 C HN 0.869 nan 8.230 nan 0.000 0.556 776 R N 2.469 122.970 120.500 0.002 0.000 2.457 776 R HA 0.550 4.890 4.340 -0.000 0.000 0.284 776 R C -0.462 175.817 176.300 -0.035 0.000 1.024 776 R CA -0.755 55.321 56.100 -0.041 0.000 1.025 776 R CB 0.604 30.867 30.300 -0.061 0.000 1.063 776 R HN 0.709 nan 8.270 nan 0.000 0.493 777 L N 4.800 125.985 121.223 -0.064 0.000 2.360 777 L HA 0.129 4.469 4.340 -0.000 0.000 0.276 777 L C 0.360 177.175 176.870 -0.092 0.000 1.121 777 L CA 0.401 55.193 54.840 -0.080 0.000 0.845 777 L CB 0.869 42.873 42.059 -0.091 0.000 1.143 777 L HN 0.822 nan 8.230 nan 0.000 0.452 778 L N 4.769 125.912 121.223 -0.133 0.000 2.131 778 L HA 0.351 4.691 4.340 -0.000 0.000 0.206 778 L C 1.128 177.861 176.870 -0.228 0.000 1.087 778 L CA 0.845 55.591 54.840 -0.157 0.000 0.767 778 L CB -0.535 41.371 42.059 -0.254 0.000 0.917 778 L HN 0.879 nan 8.230 nan 0.000 0.441 779 G N -0.709 107.921 108.800 -0.282 0.000 2.349 779 G HA2 0.477 4.437 3.960 -0.000 0.000 0.294 779 G HA3 0.477 4.437 3.960 -0.000 0.000 0.294 779 G C -1.834 172.934 174.900 -0.219 0.000 1.380 779 G CA -0.518 44.436 45.100 -0.243 0.000 0.811 779 G HN 0.022 nan 8.290 nan 0.000 0.519 780 I N -2.732 117.754 120.570 -0.141 0.000 2.892 780 I HA 0.831 5.001 4.170 -0.000 0.000 0.306 780 I C -0.609 175.477 176.117 -0.052 0.000 1.078 780 I CA -1.179 60.060 61.300 -0.103 0.000 1.032 780 I CB 2.236 40.203 38.000 -0.054 0.000 1.229 780 I HN 0.603 nan 8.210 nan 0.000 0.435 781 C N 4.461 123.754 119.300 -0.012 0.000 2.379 781 C HA 0.582 5.042 4.460 -0.000 0.000 0.323 781 C C 0.299 175.308 174.990 0.033 0.000 1.262 781 C CA -0.503 58.547 59.018 0.055 0.000 1.581 781 C CB 0.714 28.565 27.740 0.186 0.000 2.221 781 C HN 0.774 nan 8.230 nan 0.000 0.497 782 L N 5.840 127.077 121.223 0.024 0.000 2.956 782 L HA 0.194 4.534 4.340 -0.000 0.000 0.232 782 L C 1.585 178.459 176.870 0.008 0.000 1.291 782 L CA -0.024 54.825 54.840 0.014 0.000 1.122 782 L CB 0.015 42.081 42.059 0.011 0.000 1.461 782 L HN 0.944 nan 8.230 nan 0.000 0.470 783 T N -5.040 109.518 114.554 0.006 0.000 2.939 783 T HA 0.092 4.442 4.350 -0.000 0.000 0.254 783 T C 1.388 176.084 174.700 -0.007 0.000 1.041 783 T CA 0.819 62.916 62.100 -0.006 0.000 1.142 783 T CB 0.504 69.364 68.868 -0.013 0.000 0.874 783 T HN 0.316 nan 8.240 nan 0.000 0.452 784 S N -0.936 114.763 115.700 -0.001 0.000 4.026 784 S HA 0.227 4.697 4.470 -0.000 0.000 0.198 784 S C 0.236 174.840 174.600 0.006 0.000 1.069 784 S CA 0.071 58.271 58.200 0.000 0.000 1.200 784 S CB 0.465 63.663 63.200 -0.003 0.000 1.385 784 S HN 0.600 nan 8.310 nan 0.000 0.449 785 T N 2.376 116.935 114.554 0.008 0.000 2.912 785 T HA 0.655 5.005 4.350 -0.000 0.000 0.288 785 T C -0.978 173.732 174.700 0.017 0.000 1.030 785 T CA -0.397 61.713 62.100 0.017 0.000 1.020 785 T CB 1.339 70.221 68.868 0.024 0.000 1.056 785 T HN 0.013 nan 8.240 nan 0.000 0.480 786 V N 5.104 125.031 119.914 0.023 0.000 2.427 786 V HA 0.297 4.417 4.120 -0.000 0.000 0.268 786 V C 0.388 176.489 176.094 0.012 0.000 1.046 786 V CA -0.345 61.965 62.300 0.017 0.000 0.970 786 V CB 0.681 32.514 31.823 0.017 0.000 1.001 786 V HN 0.836 nan 8.190 nan 0.000 0.476 787 Q N 3.771 123.573 119.800 0.002 0.000 2.243 787 Q HA 0.550 4.890 4.340 -0.000 0.000 0.252 787 Q C -0.931 175.035 176.000 -0.057 0.000 0.909 787 Q CA -0.638 55.152 55.803 -0.021 0.000 0.922 787 Q CB 2.117 30.852 28.738 -0.005 0.000 1.215 787 Q HN 0.565 nan 8.270 nan 0.000 0.427 788 L N 3.720 124.901 121.223 -0.070 0.000 2.276 788 L HA 0.407 4.747 4.340 -0.000 0.000 0.286 788 L C -1.288 175.492 176.870 -0.150 0.000 1.024 788 L CA -0.205 54.581 54.840 -0.091 0.000 0.826 788 L CB 1.000 43.033 42.059 -0.044 0.000 1.211 788 L HN 0.531 nan 8.230 nan 0.000 0.422 789 I N 3.490 123.922 120.570 -0.230 0.000 2.460 789 I HA 0.692 4.862 4.170 -0.000 0.000 0.298 789 I C 0.236 176.208 176.117 -0.242 0.000 0.989 789 I CA 0.014 61.118 61.300 -0.326 0.000 1.173 789 I CB 2.079 39.738 38.000 -0.568 0.000 1.338 789 I HN 0.549 nan 8.210 nan 0.000 0.456 790 T N 4.276 118.718 114.554 -0.186 0.000 2.830 790 T HA 0.223 4.573 4.350 -0.000 0.000 0.322 790 T C -1.204 173.457 174.700 -0.064 0.000 1.501 790 T CA -0.709 61.325 62.100 -0.109 0.000 1.036 790 T CB 1.128 69.960 68.868 -0.061 0.000 1.379 790 T HN 0.665 nan 8.240 nan 0.000 0.493 791 Q N 2.734 122.519 119.800 -0.025 0.000 2.398 791 Q HA 0.050 4.390 4.340 -0.000 0.000 0.329 791 Q C -0.349 175.643 176.000 -0.013 0.000 1.079 791 Q CA -0.106 55.695 55.803 -0.003 0.000 1.041 791 Q CB 0.193 28.931 28.738 0.001 0.000 1.084 791 Q HN 0.629 nan 8.270 nan 0.000 0.386 792 L N 5.118 126.336 121.223 -0.008 0.000 2.455 792 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 792 L C -0.440 176.427 176.870 -0.006 0.000 1.174 792 L CA 0.685 55.520 54.840 -0.008 0.000 0.869 792 L CB 0.698 42.753 42.059 -0.007 0.000 1.130 792 L HN 0.720 nan 8.230 nan 0.000 0.474 793 M N 7.712 127.312 119.600 0.001 0.000 2.385 793 M HA 0.280 4.760 4.480 -0.000 0.000 0.346 793 M C -1.715 174.612 176.300 0.045 0.000 1.180 793 M CA -2.237 53.075 55.300 0.019 0.000 1.154 793 M CB 0.366 32.971 32.600 0.009 0.000 1.251 793 M HN 0.366 nan 8.290 nan 0.000 0.430 794 P HA -0.102 nan 4.420 nan 0.000 0.216 794 P C 0.860 178.084 177.300 -0.127 0.000 1.150 794 P CA 1.549 64.584 63.100 -0.109 0.000 0.837 794 P CB -0.015 31.531 31.700 -0.257 0.000 0.786 795 F N -1.146 118.820 119.950 0.026 0.000 2.773 795 F HA 0.343 4.870 4.527 0.000 0.000 0.304 795 F C 1.806 177.662 175.800 0.092 0.000 1.129 795 F CA 0.644 58.695 58.000 0.085 0.000 1.378 795 F CB -0.651 38.383 39.000 0.057 0.000 1.095 795 F HN 0.017 nan 8.300 nan 0.000 0.565 796 G N -0.178 108.729 108.800 0.179 0.000 2.568 796 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.222 796 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.222 796 G C -0.313 174.630 174.900 0.071 0.000 1.321 796 G CA -0.957 44.212 45.100 0.116 0.000 0.893 796 G HN 0.583 nan 8.290 nan 0.000 0.569 797 C N -0.925 118.411 119.300 0.060 0.000 2.398 797 C HA 0.768 5.228 4.460 -0.000 0.000 0.364 797 C C 2.012 177.013 174.990 0.017 0.000 1.219 797 C CA -0.047 58.979 59.018 0.013 0.000 2.312 797 C CB 0.877 28.621 27.740 0.006 0.000 2.428 797 C HN 1.365 nan 8.230 nan 0.000 0.564 798 L N 1.648 122.831 121.223 -0.067 0.000 2.141 798 L HA 0.011 4.351 4.340 -0.000 0.000 0.209 798 L C 1.999 178.877 176.870 0.014 0.000 1.094 798 L CA 1.523 56.280 54.840 -0.137 0.000 0.763 798 L CB -1.183 40.698 42.059 -0.296 0.000 0.908 798 L HN 0.905 nan 8.230 nan 0.000 0.437 799 L N -0.341 120.910 121.223 0.046 0.000 1.976 799 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 799 L C 2.089 179.034 176.870 0.125 0.000 1.071 799 L CA 1.995 56.896 54.840 0.100 0.000 0.746 799 L CB -1.070 41.049 42.059 0.100 0.000 0.890 799 L HN 0.281 nan 8.230 nan 0.000 0.432 800 D N -1.563 118.904 120.400 0.111 0.000 2.123 800 D HA -0.278 4.362 4.640 -0.000 0.000 0.196 800 D C 2.054 178.441 176.300 0.145 0.000 0.992 800 D CA 1.733 55.797 54.000 0.106 0.000 0.833 800 D CB -0.440 40.415 40.800 0.092 0.000 0.954 800 D HN 0.500 nan 8.370 nan 0.000 0.455 801 Y N 1.448 121.797 120.300 0.081 0.000 2.165 801 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 801 Y C 2.299 178.334 175.900 0.224 0.000 1.155 801 Y CA 1.824 60.025 58.100 0.169 0.000 1.164 801 Y CB -0.169 38.330 38.460 0.065 0.000 0.978 801 Y HN -0.035 nan 8.280 nan 0.000 0.513 802 V N -1.285 118.824 119.914 0.325 0.000 2.307 802 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 802 V C 2.244 178.466 176.094 0.215 0.000 1.045 802 V CA 1.932 64.440 62.300 0.346 0.000 1.024 802 V CB -0.924 31.134 31.823 0.392 0.000 0.651 802 V HN 0.269 nan 8.190 nan 0.000 0.449 803 R N 0.690 121.277 120.500 0.146 0.000 2.139 803 R HA -0.208 4.132 4.340 -0.000 0.000 0.243 803 R C 2.343 178.630 176.300 -0.022 0.000 1.145 803 R CA 2.060 58.207 56.100 0.078 0.000 0.976 803 R CB -0.249 30.091 30.300 0.068 0.000 0.866 803 R HN 0.791 nan 8.270 nan 0.000 0.449 804 E N -0.978 119.161 120.200 -0.101 0.000 2.474 804 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 804 E C 0.502 176.817 176.600 -0.476 0.000 1.041 804 E CA 0.728 56.951 56.400 -0.295 0.000 0.874 804 E CB 0.412 29.897 29.700 -0.358 0.000 0.914 804 E HN 0.340 nan 8.360 nan 0.000 0.498 805 H N -0.360 118.592 119.070 -0.197 0.000 3.052 805 H HA 0.246 4.802 4.556 0.000 0.000 0.257 805 H C 0.690 175.911 175.328 -0.179 0.000 1.193 805 H CA 0.018 55.924 56.048 -0.236 0.000 1.072 805 H CB 0.621 30.113 29.762 -0.451 0.000 1.685 805 H HN 0.090 nan 8.280 nan 0.000 0.630 806 K N 0.822 121.145 120.400 -0.128 0.000 2.056 806 K HA -0.205 4.115 4.320 -0.000 0.000 0.225 806 K C 0.660 176.978 176.600 -0.471 0.000 1.053 806 K CA 2.096 58.087 56.287 -0.493 0.000 0.966 806 K CB -0.045 32.126 32.500 -0.548 0.000 0.735 806 K HN 0.203 nan 8.250 nan 0.000 0.455 807 D N -0.015 120.219 120.400 -0.276 0.000 2.348 807 D HA -0.036 4.604 4.640 -0.000 0.000 0.248 807 D C 0.349 176.577 176.300 -0.119 0.000 1.142 807 D CA 0.696 54.575 54.000 -0.202 0.000 0.904 807 D CB -0.057 40.659 40.800 -0.140 0.000 0.901 807 D HN 0.261 nan 8.370 nan 0.000 0.523 808 N N -0.603 118.037 118.700 -0.100 0.000 1.986 808 N HA 0.170 4.910 4.740 -0.000 0.000 0.227 808 N C -0.635 174.839 175.510 -0.060 0.000 1.387 808 N CA -0.129 52.887 53.050 -0.058 0.000 0.810 808 N CB 1.340 39.807 38.487 -0.033 0.000 1.140 808 N HN -0.038 nan 8.380 nan 0.000 0.504 809 I N 0.999 121.564 120.570 -0.008 0.000 2.315 809 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 809 I C 0.978 177.149 176.117 0.091 0.000 1.006 809 I CA -0.726 60.600 61.300 0.044 0.000 1.265 809 I CB 1.383 39.559 38.000 0.295 0.000 1.387 809 I HN 0.009 nan 8.210 nan 0.000 0.475 810 G N 2.926 111.755 108.800 0.048 0.000 2.580 810 G HA2 0.236 4.196 3.960 -0.000 0.000 0.278 810 G HA3 0.236 4.196 3.960 -0.000 0.000 0.278 810 G C 0.938 175.878 174.900 0.066 0.000 1.212 810 G CA -0.087 45.075 45.100 0.104 0.000 0.939 810 G HN 0.675 nan 8.290 nan 0.000 0.513 811 S N -0.742 114.987 115.700 0.048 0.000 2.368 811 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 811 S C 2.086 176.659 174.600 -0.044 0.000 1.029 811 S CA 1.543 59.751 58.200 0.014 0.000 0.988 811 S CB -0.455 62.767 63.200 0.037 0.000 0.838 811 S HN 0.555 nan 8.310 nan 0.000 0.462 812 Q N 0.774 120.542 119.800 -0.054 0.000 2.112 812 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 812 Q C 1.688 177.484 176.000 -0.339 0.000 0.987 812 Q CA 1.965 57.672 55.803 -0.160 0.000 0.858 812 Q CB -0.737 27.895 28.738 -0.177 0.000 0.905 812 Q HN 0.754 nan 8.270 nan 0.000 0.420 813 Y N -0.596 119.448 120.300 -0.427 0.000 2.263 813 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 813 Y C 1.939 177.103 175.900 -1.227 0.000 1.130 813 Y CA 1.052 58.611 58.100 -0.901 0.000 1.179 813 Y CB -0.012 37.864 38.460 -0.974 0.000 0.998 813 Y HN 0.087 nan 8.280 nan 0.000 0.532 814 L N -0.738 120.176 121.223 -0.515 0.000 2.017 814 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 814 L C 2.186 178.956 176.870 -0.167 0.000 1.073 814 L CA 1.335 56.003 54.840 -0.286 0.000 0.745 814 L CB -0.658 41.330 42.059 -0.118 0.000 0.894 814 L HN 0.259 nan 8.230 nan 0.000 0.432 815 L N -0.647 120.498 121.223 -0.129 0.000 2.056 815 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 815 L C 2.313 179.127 176.870 -0.094 0.000 1.078 815 L CA 0.960 55.780 54.840 -0.032 0.000 0.749 815 L CB -0.624 41.468 42.059 0.054 0.000 0.901 815 L HN 0.314 nan 8.230 nan 0.000 0.433 816 N N -0.585 117.998 118.700 -0.195 0.000 2.069 816 N HA -0.205 4.534 4.740 -0.000 0.000 0.191 816 N C 1.513 177.000 175.510 -0.039 0.000 1.031 816 N CA 1.214 54.164 53.050 -0.166 0.000 0.852 816 N CB -0.329 37.993 38.487 -0.275 0.000 1.018 816 N HN 0.280 nan 8.380 nan 0.000 0.423 817 W N 1.226 122.470 121.300 -0.094 0.000 2.304 817 W HA -0.170 4.490 4.660 -0.000 0.000 0.315 817 W C 2.461 178.867 176.519 -0.188 0.000 1.233 817 W CA 0.199 57.475 57.345 -0.115 0.000 1.261 817 W CB -1.604 27.815 29.460 -0.069 0.000 1.150 817 W HN 0.120 nan 8.180 nan 0.000 0.494 818 C N -0.522 118.738 119.300 -0.067 0.000 2.429 818 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 818 C C 2.828 177.703 174.990 -0.193 0.000 1.262 818 C CA 0.923 59.737 59.018 -0.340 0.000 1.733 818 C CB -1.440 25.667 27.740 -1.055 0.000 2.010 818 C HN 0.130 nan 8.230 nan 0.000 0.483 819 V N 0.840 120.674 119.914 -0.134 0.000 2.324 819 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 819 V C 2.519 178.545 176.094 -0.113 0.000 1.060 819 V CA 2.076 64.349 62.300 -0.045 0.000 1.042 819 V CB -0.866 30.941 31.823 -0.026 0.000 0.650 819 V HN 0.640 nan 8.190 nan 0.000 0.450 820 Q N -0.729 118.958 119.800 -0.189 0.000 2.079 820 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 820 Q C 2.259 178.087 176.000 -0.286 0.000 0.974 820 Q CA 1.604 57.121 55.803 -0.478 0.000 0.840 820 Q CB -0.203 28.259 28.738 -0.461 0.000 0.898 820 Q HN 0.589 nan 8.270 nan 0.000 0.430 821 I N 0.730 121.266 120.570 -0.058 0.000 2.315 821 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 821 I C 2.401 178.566 176.117 0.079 0.000 1.117 821 I CA 0.962 62.297 61.300 0.058 0.000 1.404 821 I CB -0.351 37.728 38.000 0.133 0.000 1.071 821 I HN 0.114 nan 8.210 nan 0.000 0.419 822 A N 0.771 123.671 122.820 0.133 0.000 1.902 822 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 822 A C 2.328 179.874 177.584 -0.063 0.000 1.181 822 A CA 1.693 53.727 52.037 -0.005 0.000 0.623 822 A CB -0.470 18.552 19.000 0.036 0.000 0.818 822 A HN 0.318 nan 8.150 nan 0.000 0.443 823 K N -0.846 119.526 120.400 -0.047 0.000 2.032 823 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 823 K C 2.157 178.777 176.600 0.033 0.000 1.048 823 K CA 1.204 57.488 56.287 -0.005 0.000 0.927 823 K CB -0.477 32.020 32.500 -0.005 0.000 0.712 823 K HN 0.477 nan 8.250 nan 0.000 0.441 824 G N 1.131 109.946 108.800 0.024 0.000 2.421 824 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 824 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 824 G C 1.451 176.359 174.900 0.013 0.000 1.171 824 G CA 0.649 45.805 45.100 0.092 0.000 0.775 824 G HN 0.060 nan 8.290 nan 0.000 0.543 825 M N 0.809 120.276 119.600 -0.223 0.000 2.175 825 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 825 M C 2.171 178.146 176.300 -0.542 0.000 1.063 825 M CA 1.007 55.969 55.300 -0.562 0.000 1.119 825 M CB -1.323 30.433 32.600 -1.407 0.000 1.377 825 M HN 0.308 nan 8.290 nan 0.000 0.415 826 N N 0.245 118.738 118.700 -0.345 0.000 2.166 826 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 826 N C 1.710 177.192 175.510 -0.047 0.000 1.019 826 N CA 1.266 54.255 53.050 -0.100 0.000 0.856 826 N CB -0.332 38.164 38.487 0.015 0.000 0.993 826 N HN 0.354 nan 8.380 nan 0.000 0.426 827 Y N 0.783 121.038 120.300 -0.076 0.000 2.128 827 Y HA -0.109 4.441 4.550 -0.000 0.000 0.284 827 Y C 1.788 177.664 175.900 -0.041 0.000 1.154 827 Y CA 1.580 59.659 58.100 -0.034 0.000 1.149 827 Y CB -0.260 38.201 38.460 0.002 0.000 0.976 827 Y HN 0.096 nan 8.280 nan 0.000 0.505 828 L N 0.313 121.588 121.223 0.087 0.000 2.191 828 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 828 L C 2.453 179.262 176.870 -0.100 0.000 1.103 828 L CA 1.801 56.668 54.840 0.045 0.000 0.769 828 L CB -0.555 41.607 42.059 0.171 0.000 0.908 828 L HN 0.378 nan 8.230 nan 0.000 0.438 829 E N 0.322 120.381 120.200 -0.235 0.000 2.076 829 E HA -0.215 4.135 4.350 -0.000 0.000 0.190 829 E C 1.642 178.072 176.600 -0.282 0.000 0.979 829 E CA 1.070 57.170 56.400 -0.499 0.000 0.807 829 E CB 0.102 29.496 29.700 -0.510 0.000 0.761 829 E HN 0.290 nan 8.360 nan 0.000 0.454 830 D N 0.306 120.561 120.400 -0.242 0.000 2.158 830 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 830 D C 1.556 177.720 176.300 -0.228 0.000 0.995 830 D CA 0.853 54.719 54.000 -0.223 0.000 0.846 830 D CB 0.017 40.655 40.800 -0.270 0.000 0.941 830 D HN 0.119 nan 8.370 nan 0.000 0.456 831 R N 0.064 120.388 120.500 -0.294 0.000 2.317 831 R HA 0.215 4.555 4.340 -0.000 0.000 0.208 831 R C 0.380 176.650 176.300 -0.050 0.000 0.914 831 R CA -0.130 55.846 56.100 -0.207 0.000 1.060 831 R CB 0.195 30.326 30.300 -0.282 0.000 1.015 831 R HN 0.211 nan 8.270 nan 0.000 0.498 832 R N -0.131 120.381 120.500 0.019 0.000 3.878 832 R HA -0.152 4.188 4.340 -0.000 0.000 0.330 832 R C -0.645 175.803 176.300 0.247 0.000 1.186 832 R CA 0.452 56.672 56.100 0.201 0.000 0.885 832 R CB -2.291 28.083 30.300 0.124 0.000 1.377 832 R HN 0.097 nan 8.270 nan 0.000 0.523 833 L N 0.989 122.348 121.223 0.226 0.000 2.276 833 L HA 0.346 4.686 4.340 -0.000 0.000 0.286 833 L C 0.530 177.618 176.870 0.364 0.000 1.061 833 L CA -0.666 54.310 54.840 0.227 0.000 0.807 833 L CB 1.662 43.813 42.059 0.152 0.000 1.177 833 L HN -0.174 nan 8.230 nan 0.000 0.429 834 V N 3.377 123.444 119.914 0.255 0.000 2.406 834 V HA 0.040 4.160 4.120 -0.000 0.000 0.272 834 V C 1.037 177.283 176.094 0.253 0.000 1.043 834 V CA -0.330 62.130 62.300 0.266 0.000 0.915 834 V CB 0.938 32.824 31.823 0.105 0.000 0.988 834 V HN 0.773 nan 8.190 nan 0.000 0.466 835 H N 5.418 124.625 119.070 0.229 0.000 2.372 835 H HA -0.004 4.552 4.556 -0.000 0.000 0.301 835 H C 1.694 177.093 175.328 0.120 0.000 1.065 835 H CA 1.814 57.974 56.048 0.188 0.000 1.364 835 H CB 0.357 30.212 29.762 0.155 0.000 1.406 835 H HN 0.742 nan 8.280 nan 0.000 0.521 836 R N -0.737 119.983 120.500 0.366 0.000 3.862 836 R HA -0.196 4.144 4.340 -0.000 0.000 0.470 836 R C -0.365 176.122 176.300 0.311 0.000 0.879 836 R CA 1.444 57.710 56.100 0.276 0.000 1.508 836 R CB -1.402 28.896 30.300 -0.003 0.000 2.170 836 R HN 0.346 nan 8.270 nan 0.000 0.496 837 D N 0.116 120.842 120.400 0.542 0.000 2.992 837 D HA 0.157 4.797 4.640 -0.000 0.000 0.372 837 D C -1.129 175.201 176.300 0.051 0.000 1.374 837 D CA -0.455 53.711 54.000 0.277 0.000 0.769 837 D CB 0.379 41.264 40.800 0.142 0.000 1.215 837 D HN 0.023 nan 8.370 nan 0.000 0.473 838 L N 1.576 122.745 121.223 -0.089 0.000 2.410 838 L HA 0.693 5.033 4.340 -0.000 0.000 0.273 838 L C -0.444 176.393 176.870 -0.055 0.000 1.152 838 L CA 0.189 54.889 54.840 -0.234 0.000 0.855 838 L CB 0.503 42.538 42.059 -0.040 0.000 1.129 838 L HN 0.256 nan 8.230 nan 0.000 0.463 839 A N 3.712 126.466 122.820 -0.110 0.000 2.567 839 A HA 0.655 4.975 4.320 -0.000 0.000 0.291 839 A C 0.415 177.994 177.584 -0.007 0.000 1.048 839 A CA -0.143 51.838 52.037 -0.095 0.000 0.661 839 A CB 0.070 18.670 19.000 -0.667 0.000 1.288 839 A HN 1.107 nan 8.150 nan 0.000 0.424 840 A N 0.628 123.528 122.820 0.134 0.000 1.978 840 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 840 A C 1.955 179.536 177.584 -0.005 0.000 1.170 840 A CA 2.117 54.200 52.037 0.077 0.000 0.636 840 A CB -0.580 18.514 19.000 0.156 0.000 0.810 840 A HN 1.151 nan 8.150 nan 0.000 0.448 841 R N -0.991 119.487 120.500 -0.037 0.000 2.189 841 R HA -0.005 4.335 4.340 -0.000 0.000 0.218 841 R C 0.050 176.298 176.300 -0.087 0.000 1.074 841 R CA 1.456 57.520 56.100 -0.060 0.000 0.991 841 R CB -0.356 29.884 30.300 -0.099 0.000 0.883 841 R HN 0.314 nan 8.270 nan 0.000 0.457 842 N N 0.798 119.426 118.700 -0.120 0.000 2.279 842 N HA 0.158 4.898 4.740 -0.000 0.000 0.226 842 N C -1.215 174.218 175.510 -0.128 0.000 1.126 842 N CA 0.001 52.974 53.050 -0.129 0.000 0.846 842 N CB 1.402 39.795 38.487 -0.156 0.000 1.050 842 N HN -0.038 nan 8.380 nan 0.000 0.502 843 V N 1.465 121.316 119.914 -0.105 0.000 2.540 843 V HA 0.490 4.610 4.120 -0.000 0.000 0.302 843 V C -0.110 175.922 176.094 -0.103 0.000 1.035 843 V CA -0.754 61.483 62.300 -0.105 0.000 0.873 843 V CB 2.357 34.109 31.823 -0.118 0.000 0.992 843 V HN -0.006 nan 8.190 nan 0.000 0.428 844 L N 4.413 125.585 121.223 -0.085 0.000 2.322 844 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 844 L C -0.733 176.068 176.870 -0.114 0.000 1.012 844 L CA -1.127 53.665 54.840 -0.079 0.000 0.815 844 L CB 2.121 44.159 42.059 -0.034 0.000 1.295 844 L HN 0.328 nan 8.230 nan 0.000 0.438 845 V N 1.000 120.845 119.914 -0.115 0.000 2.311 845 V HA 0.201 4.321 4.120 -0.000 0.000 0.275 845 V C 0.784 176.876 176.094 -0.004 0.000 1.022 845 V CA -0.545 61.652 62.300 -0.172 0.000 0.830 845 V CB 0.898 32.507 31.823 -0.357 0.000 1.012 845 V HN 0.782 nan 8.190 nan 0.000 0.452 846 K N 3.171 123.551 120.400 -0.034 0.000 2.044 846 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 846 K C 0.896 177.583 176.600 0.145 0.000 1.049 846 K CA 1.623 57.911 56.287 0.003 0.000 0.945 846 K CB 0.330 32.682 32.500 -0.246 0.000 0.724 846 K HN 0.847 nan 8.250 nan 0.000 0.440 847 T N -3.901 110.658 114.554 0.008 0.000 2.841 847 T HA 0.318 4.668 4.350 -0.000 0.000 0.296 847 T C -2.519 171.974 174.700 -0.345 0.000 1.166 847 T CA -1.752 60.244 62.100 -0.173 0.000 1.007 847 T CB 1.708 70.590 68.868 0.024 0.000 1.253 847 T HN -0.233 nan 8.240 nan 0.000 0.511 848 P HA -0.127 nan 4.420 nan 0.000 0.218 848 P C 1.382 178.939 177.300 0.429 0.000 1.146 848 P CA 1.100 64.079 63.100 -0.201 0.000 0.813 848 P CB 0.027 31.615 31.700 -0.187 0.000 0.778 849 Q N -1.499 118.493 119.800 0.321 0.000 2.403 849 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 849 Q C 0.037 176.223 176.000 0.310 0.000 0.932 849 Q CA 0.621 56.605 55.803 0.300 0.000 0.945 849 Q CB -0.504 28.303 28.738 0.114 0.000 1.045 849 Q HN 0.437 nan 8.270 nan 0.000 0.511 850 H N 0.494 119.650 119.070 0.143 0.000 3.108 850 H HA 0.410 4.966 4.556 0.000 0.000 0.301 850 H C -0.748 174.607 175.328 0.045 0.000 1.139 850 H CA -0.809 55.313 56.048 0.123 0.000 1.552 850 H CB 1.201 31.015 29.762 0.085 0.000 1.663 850 H HN 0.092 nan 8.280 nan 0.000 0.517 851 V N 1.902 121.994 119.914 0.297 0.000 3.134 851 V HA 0.627 4.747 4.120 -0.000 0.000 0.313 851 V C -0.502 175.767 176.094 0.292 0.000 1.069 851 V CA -0.650 61.706 62.300 0.093 0.000 1.048 851 V CB 1.853 33.549 31.823 -0.211 0.000 1.119 851 V HN 0.675 nan 8.190 nan 0.000 0.461 852 K N 2.362 122.838 120.400 0.128 0.000 2.543 852 K HA 0.551 4.871 4.320 -0.000 0.000 0.255 852 K C -1.059 175.576 176.600 0.057 0.000 0.934 852 K CA -0.694 55.681 56.287 0.146 0.000 0.810 852 K CB 2.536 35.096 32.500 0.100 0.000 1.315 852 K HN 0.689 nan 8.250 nan 0.000 0.433 853 I N 0.838 121.451 120.570 0.070 0.000 3.194 853 I HA 0.085 4.255 4.170 -0.000 0.000 0.283 853 I C 0.811 176.917 176.117 -0.019 0.000 1.199 853 I CA 0.746 62.046 61.300 -0.001 0.000 1.328 853 I CB 0.775 38.783 38.000 0.015 0.000 1.404 853 I HN 0.632 nan 8.210 nan 0.000 0.618 854 T N 0.348 114.789 114.554 -0.189 0.000 2.658 854 T HA 0.107 4.457 4.350 -0.000 0.000 0.306 854 T C -1.764 172.626 174.700 -0.515 0.000 1.544 854 T CA -0.492 61.438 62.100 -0.283 0.000 0.991 854 T CB 0.906 69.722 68.868 -0.086 0.000 1.774 854 T HN 0.765 nan 8.240 nan 0.000 0.479 855 D N 0.589 120.776 120.400 -0.355 0.000 4.028 855 D HA -0.134 4.506 4.640 -0.000 0.000 0.233 855 D C -0.546 175.446 176.300 -0.512 0.000 1.080 855 D CA 0.675 54.512 54.000 -0.271 0.000 1.181 855 D CB -0.537 40.173 40.800 -0.150 0.000 0.815 855 D HN 0.431 nan 8.370 nan 0.000 0.401 856 F N -0.193 119.684 119.950 -0.121 0.000 2.661 856 F HA 0.243 4.770 4.527 0.000 0.000 0.306 856 F C 2.370 178.056 175.800 -0.189 0.000 1.094 856 F CA 0.058 57.911 58.000 -0.246 0.000 1.254 856 F CB 0.651 39.557 39.000 -0.157 0.000 1.040 856 F HN 0.376 nan 8.300 nan 0.000 0.562 857 G N 0.503 109.284 108.800 -0.032 0.000 2.621 857 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 857 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 857 G C 1.239 176.084 174.900 -0.091 0.000 1.127 857 G CA 1.022 46.079 45.100 -0.071 0.000 0.747 857 G HN 0.462 nan 8.290 nan 0.000 0.561 858 L N -1.026 120.129 121.223 -0.114 0.000 3.174 858 L HA 0.369 4.709 4.340 -0.000 0.000 0.283 858 L C 1.533 178.331 176.870 -0.121 0.000 1.187 858 L CA -0.300 54.468 54.840 -0.119 0.000 1.018 858 L CB 0.162 42.155 42.059 -0.109 0.000 1.433 858 L HN 0.160 nan 8.230 nan 0.000 0.593 859 A N 1.837 124.588 122.820 -0.114 0.000 2.613 859 A HA 0.391 4.711 4.320 -0.000 0.000 0.230 859 A C 0.362 177.939 177.584 -0.011 0.000 1.051 859 A CA 1.307 53.325 52.037 -0.032 0.000 0.754 859 A CB -0.093 18.973 19.000 0.109 0.000 0.979 859 A HN 0.305 nan 8.150 nan 0.000 0.510 860 K N 1.498 121.906 120.400 0.012 0.000 2.575 860 K HA 0.634 4.954 4.320 -0.000 0.000 0.279 860 K C -0.831 175.788 176.600 0.032 0.000 0.969 860 K CA -0.547 55.740 56.287 -0.000 0.000 0.868 860 K CB 0.659 33.121 32.500 -0.062 0.000 1.457 860 K HN 0.842 nan 8.250 nan 0.000 0.426 861 L N 1.816 123.055 121.223 0.028 0.000 2.416 861 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 861 L C 0.615 177.489 176.870 0.006 0.000 1.161 861 L CA -0.786 54.075 54.840 0.035 0.000 0.845 861 L CB 1.108 43.188 42.059 0.036 0.000 1.119 861 L HN 0.767 nan 8.230 nan 0.000 0.464 862 L N 3.401 124.621 121.223 -0.006 0.000 2.455 862 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 862 L C 0.887 177.745 176.870 -0.021 0.000 1.174 862 L CA 1.506 56.306 54.840 -0.066 0.000 0.869 862 L CB 0.720 42.686 42.059 -0.154 0.000 1.130 862 L HN 0.848 nan 8.230 nan 0.000 0.474 863 G N 2.716 111.506 108.800 -0.017 0.000 2.475 863 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.209 863 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.209 863 G C 0.464 175.366 174.900 0.002 0.000 1.127 863 G CA 0.133 45.232 45.100 -0.001 0.000 0.681 863 G HN 1.205 nan 8.290 nan 0.000 0.517 864 A N 0.301 123.120 122.820 -0.003 0.000 2.366 864 A HA 0.659 4.979 4.320 -0.000 0.000 0.250 864 A C 0.393 177.972 177.584 -0.009 0.000 1.099 864 A CA 1.767 53.799 52.037 -0.008 0.000 0.794 864 A CB 0.706 19.698 19.000 -0.014 0.000 1.056 864 A HN 1.204 nan 8.150 nan 0.000 0.499 877 P HA 0.458 nan 4.420 nan 0.000 0.274 877 P C 0.824 178.266 177.300 0.237 0.000 1.504 877 P CA -0.282 62.904 63.100 0.143 0.000 1.011 877 P CB 1.117 32.844 31.700 0.046 0.000 1.366 878 I N 2.497 123.180 120.570 0.187 0.000 2.252 878 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 878 I C 1.864 178.021 176.117 0.067 0.000 1.102 878 I CA 1.263 62.607 61.300 0.073 0.000 1.385 878 I CB -0.702 37.295 38.000 -0.005 0.000 1.064 878 I HN 0.340 nan 8.210 nan 0.000 0.414 879 K N -0.650 119.858 120.400 0.180 0.000 2.362 879 K HA -0.142 4.178 4.320 -0.000 0.000 0.200 879 K C 1.644 178.194 176.600 -0.083 0.000 1.046 879 K CA 0.899 57.144 56.287 -0.070 0.000 0.952 879 K CB -0.007 32.407 32.500 -0.143 0.000 0.753 879 K HN 0.439 nan 8.250 nan 0.000 0.466 880 W N 0.579 121.935 121.300 0.093 0.000 3.220 880 W HA 0.245 4.905 4.660 -0.000 0.000 0.328 880 W C 0.086 176.686 176.519 0.135 0.000 1.205 880 W CA -0.368 57.087 57.345 0.183 0.000 1.773 880 W CB 0.221 29.786 29.460 0.176 0.000 1.086 880 W HN -0.020 nan 8.180 nan 0.000 0.622 881 M N 0.544 120.215 119.600 0.118 0.000 2.238 881 M HA 0.418 4.898 4.480 -0.000 0.000 0.350 881 M C 0.602 176.470 176.300 -0.719 0.000 1.138 881 M CA -0.377 54.832 55.300 -0.152 0.000 1.040 881 M CB 1.497 34.031 32.600 -0.110 0.000 1.639 881 M HN -0.260 nan 8.290 nan 0.000 0.451 882 A N 2.228 124.501 122.820 -0.912 0.000 2.507 882 A HA 0.063 4.383 4.320 -0.000 0.000 0.235 882 A C 0.918 177.869 177.584 -1.054 0.000 1.070 882 A CA -0.295 50.853 52.037 -1.482 0.000 0.768 882 A CB 0.184 18.824 19.000 -0.600 0.000 1.011 882 A HN 0.990 nan 8.150 nan 0.000 0.502 883 L N 0.822 121.391 121.223 -1.089 0.000 2.017 883 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 883 L C 2.215 178.858 176.870 -0.378 0.000 1.073 883 L CA 2.704 57.205 54.840 -0.564 0.000 0.745 883 L CB -0.738 41.116 42.059 -0.342 0.000 0.894 883 L HN 0.851 nan 8.230 nan 0.000 0.432 884 E N -1.257 118.711 120.200 -0.387 0.000 2.333 884 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 884 E C 1.950 178.331 176.600 -0.364 0.000 1.007 884 E CA 1.085 57.246 56.400 -0.399 0.000 0.845 884 E CB -0.396 29.087 29.700 -0.361 0.000 0.766 884 E HN 0.397 nan 8.360 nan 0.000 0.507 885 S N 0.096 115.533 115.700 -0.439 0.000 2.425 885 S HA 0.120 4.590 4.470 -0.000 0.000 0.225 885 S C 1.815 176.222 174.600 -0.322 0.000 1.024 885 S CA 0.320 58.186 58.200 -0.557 0.000 0.951 885 S CB -0.014 62.724 63.200 -0.770 0.000 0.796 885 S HN 0.201 nan 8.310 nan 0.000 0.498 886 I N 1.085 121.504 120.570 -0.252 0.000 2.584 886 I HA -0.020 4.150 4.170 -0.000 0.000 0.255 886 I C 1.689 177.774 176.117 -0.054 0.000 1.145 886 I CA 0.886 62.097 61.300 -0.148 0.000 1.462 886 I CB -0.068 37.826 38.000 -0.177 0.000 1.102 886 I HN 0.220 nan 8.210 nan 0.000 0.433 887 L N -0.475 120.769 121.223 0.035 0.000 2.221 887 L HA 0.008 4.348 4.340 -0.000 0.000 0.202 887 L C 0.758 177.760 176.870 0.221 0.000 1.074 887 L CA 0.791 55.731 54.840 0.166 0.000 0.795 887 L CB -0.303 41.962 42.059 0.343 0.000 0.960 887 L HN 0.340 nan 8.230 nan 0.000 0.458 888 H N -0.991 118.016 119.070 -0.105 0.000 2.651 888 H HA 0.318 4.874 4.556 -0.000 0.000 0.241 888 H C -0.110 175.175 175.328 -0.072 0.000 1.225 888 H CA -1.285 54.721 56.048 -0.071 0.000 0.942 888 H CB -0.152 29.575 29.762 -0.059 0.000 1.996 888 H HN -0.051 nan 8.280 nan 0.000 0.600 889 R N 0.751 121.273 120.500 0.036 0.000 3.255 889 R HA -0.176 4.164 4.340 -0.000 0.000 0.229 889 R C -0.351 175.959 176.300 0.017 0.000 0.920 889 R CA 0.477 56.591 56.100 0.025 0.000 0.624 889 R CB -1.779 28.629 30.300 0.181 0.000 1.072 889 R HN 0.506 nan 8.270 nan 0.000 0.491 890 I N 0.018 120.508 120.570 -0.134 0.000 2.519 890 I HA 0.143 4.313 4.170 -0.000 0.000 0.287 890 I C 0.078 176.020 176.117 -0.292 0.000 1.047 890 I CA -0.229 61.011 61.300 -0.098 0.000 1.381 890 I CB 0.616 38.548 38.000 -0.113 0.000 1.417 890 I HN -0.045 nan 8.210 nan 0.000 0.540 891 Y N 3.208 123.495 120.300 -0.022 0.000 2.315 891 Y HA 0.333 4.883 4.550 -0.000 0.000 0.324 891 Y C 0.274 176.162 175.900 -0.020 0.000 1.062 891 Y CA -0.512 57.585 58.100 -0.006 0.000 1.159 891 Y CB 2.111 40.576 38.460 0.008 0.000 1.145 891 Y HN 0.583 nan 8.280 nan 0.000 0.442 892 T N -0.457 114.167 114.554 0.116 0.000 2.773 892 T HA 0.288 4.638 4.350 -0.000 0.000 0.278 892 T C 0.949 175.712 174.700 0.106 0.000 1.011 892 T CA -0.408 61.712 62.100 0.032 0.000 1.014 892 T CB 0.883 69.757 68.868 0.010 0.000 1.293 892 T HN 0.689 nan 8.240 nan 0.000 0.554 893 H N 0.586 119.767 119.070 0.185 0.000 2.352 893 H HA -0.037 4.519 4.556 -0.000 0.000 0.299 893 H C 2.183 177.629 175.328 0.198 0.000 1.097 893 H CA 1.657 57.854 56.048 0.248 0.000 1.311 893 H CB 0.011 29.907 29.762 0.224 0.000 1.377 893 H HN 0.470 nan 8.280 nan 0.000 0.504 894 Q N 0.428 120.355 119.800 0.211 0.000 2.291 894 Q HA -0.075 4.265 4.340 -0.000 0.000 0.206 894 Q C 2.366 178.477 176.000 0.186 0.000 0.976 894 Q CA 1.206 57.083 55.803 0.123 0.000 0.875 894 Q CB -0.397 28.391 28.738 0.083 0.000 0.927 894 Q HN 0.581 nan 8.270 nan 0.000 0.450 895 S N 0.253 116.065 115.700 0.186 0.000 2.428 895 S HA -0.098 4.372 4.470 -0.000 0.000 0.230 895 S C 1.307 176.106 174.600 0.330 0.000 1.014 895 S CA 0.894 59.209 58.200 0.193 0.000 0.957 895 S CB 0.034 63.270 63.200 0.060 0.000 0.784 895 S HN 0.101 nan 8.310 nan 0.000 0.499 896 D N 1.645 122.278 120.400 0.389 0.000 2.149 896 D HA 0.019 4.659 4.640 -0.000 0.000 0.201 896 D C 2.046 178.694 176.300 0.579 0.000 0.972 896 D CA 0.721 55.029 54.000 0.514 0.000 0.835 896 D CB -0.470 40.703 40.800 0.622 0.000 0.966 896 D HN 0.295 nan 8.370 nan 0.000 0.476 897 V N 0.753 120.869 119.914 0.336 0.000 2.392 897 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 897 V C 2.152 178.464 176.094 0.363 0.000 1.059 897 V CA 1.269 63.606 62.300 0.062 0.000 1.051 897 V CB -0.426 31.209 31.823 -0.313 0.000 0.658 897 V HN 0.417 nan 8.190 nan 0.000 0.455 898 W N 1.016 122.466 121.300 0.251 0.000 2.358 898 W HA -0.174 4.486 4.660 -0.000 0.000 0.303 898 W C 2.504 179.313 176.519 0.484 0.000 1.208 898 W CA 2.020 59.603 57.345 0.397 0.000 1.274 898 W CB -0.436 29.207 29.460 0.306 0.000 1.138 898 W HN 0.349 nan 8.180 nan 0.000 0.515 899 S N -0.362 115.804 115.700 0.776 0.000 2.402 899 S HA -0.230 4.240 4.470 -0.000 0.000 0.229 899 S C 1.446 176.420 174.600 0.622 0.000 1.021 899 S CA 1.354 59.974 58.200 0.701 0.000 0.974 899 S CB -0.942 62.598 63.200 0.566 0.000 0.800 899 S HN 0.411 nan 8.310 nan 0.000 0.484 900 Y N 2.674 123.243 120.300 0.449 0.000 2.145 900 Y HA -0.096 4.454 4.550 0.000 0.000 0.286 900 Y C 2.408 178.485 175.900 0.296 0.000 1.145 900 Y CA 1.372 59.686 58.100 0.357 0.000 1.148 900 Y CB -0.995 37.714 38.460 0.416 0.000 0.981 900 Y HN 0.215 nan 8.280 nan 0.000 0.507 901 G N -0.159 108.874 108.800 0.388 0.000 2.491 901 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 901 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 901 G C 1.676 176.866 174.900 0.482 0.000 1.180 901 G CA 1.874 47.043 45.100 0.115 0.000 0.774 901 G HN 0.375 nan 8.290 nan 0.000 0.562 902 V N 1.045 121.380 119.914 0.702 0.000 2.332 902 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 902 V C 3.143 179.463 176.094 0.376 0.000 1.055 902 V CA 2.403 64.958 62.300 0.424 0.000 1.038 902 V CB -1.152 30.696 31.823 0.042 0.000 0.651 902 V HN 0.420 nan 8.190 nan 0.000 0.450 903 T N -0.035 114.736 114.554 0.362 0.000 2.746 903 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 903 T C 1.971 176.749 174.700 0.131 0.000 1.039 903 T CA 1.583 63.856 62.100 0.288 0.000 1.142 903 T CB -0.290 68.673 68.868 0.158 0.000 0.866 903 T HN 0.289 nan 8.240 nan 0.000 0.444 904 V N 0.068 119.970 119.914 -0.021 0.000 2.407 904 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 904 V C 1.978 178.135 176.094 0.104 0.000 1.055 904 V CA 1.504 63.750 62.300 -0.089 0.000 1.049 904 V CB -0.615 31.098 31.823 -0.184 0.000 0.662 904 V HN 0.663 nan 8.190 nan 0.000 0.455 905 W N 1.033 122.373 121.300 0.068 0.000 2.381 905 W HA -0.135 4.525 4.660 -0.000 0.000 0.301 905 W C 2.326 178.875 176.519 0.051 0.000 1.205 905 W CA 1.645 59.058 57.345 0.113 0.000 1.285 905 W CB -0.034 29.588 29.460 0.271 0.000 1.133 905 W HN 0.250 nan 8.180 nan 0.000 0.521 906 E N 0.359 120.816 120.200 0.429 0.000 2.086 906 E HA -0.305 4.045 4.350 -0.000 0.000 0.200 906 E C 2.038 178.611 176.600 -0.045 0.000 1.012 906 E CA 2.310 58.826 56.400 0.193 0.000 0.812 906 E CB -0.666 29.237 29.700 0.339 0.000 0.743 906 E HN 0.413 nan 8.360 nan 0.000 0.453 907 L N -0.174 121.031 121.223 -0.030 0.000 2.131 907 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 907 L C 2.398 179.082 176.870 -0.310 0.000 1.087 907 L CA 0.426 55.227 54.840 -0.065 0.000 0.767 907 L CB -0.334 41.760 42.059 0.059 0.000 0.917 907 L HN 0.147 nan 8.230 nan 0.000 0.441 908 M N -0.009 119.391 119.600 -0.334 0.000 2.446 908 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 908 M C 1.900 177.805 176.300 -0.658 0.000 1.066 908 M CA 1.568 56.588 55.300 -0.467 0.000 1.087 908 M CB -1.488 30.940 32.600 -0.286 0.000 1.406 908 M HN 0.423 nan 8.290 nan 0.000 0.459 909 T N -4.112 110.049 114.554 -0.655 0.000 3.186 909 T HA 0.211 4.561 4.350 -0.000 0.000 0.257 909 T C 0.394 174.958 174.700 -0.226 0.000 1.029 909 T CA -0.511 61.256 62.100 -0.554 0.000 0.916 909 T CB -0.813 67.500 68.868 -0.925 0.000 1.041 909 T HN 0.202 nan 8.240 nan 0.000 0.562 910 F N 1.478 121.363 119.950 -0.108 0.000 3.105 910 F HA -0.140 4.387 4.527 -0.000 0.000 0.280 910 F C 1.475 177.275 175.800 -0.001 0.000 0.894 910 F CA 1.114 59.103 58.000 -0.017 0.000 0.992 910 F CB -2.055 36.940 39.000 -0.008 0.000 1.047 910 F HN 0.685 nan 8.300 nan 0.000 0.607 911 G N -1.562 107.286 108.800 0.081 0.000 2.164 911 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.154 911 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.154 911 G C 0.383 175.354 174.900 0.118 0.000 1.014 911 G CA -0.153 45.020 45.100 0.121 0.000 0.683 911 G HN 0.533 nan 8.290 nan 0.000 0.500 912 S N 0.350 116.074 115.700 0.039 0.000 2.611 912 S HA 0.412 4.882 4.470 -0.000 0.000 0.252 912 S C 0.601 175.374 174.600 0.289 0.000 1.369 912 S CA 0.345 58.618 58.200 0.121 0.000 0.975 912 S CB 0.336 63.563 63.200 0.044 0.000 0.937 912 S HN 0.498 nan 8.310 nan 0.000 0.584 913 K N 2.072 122.657 120.400 0.309 0.000 2.323 913 K HA 0.403 4.723 4.320 -0.000 0.000 0.259 913 K C -2.843 173.871 176.600 0.189 0.000 0.947 913 K CA -2.038 54.419 56.287 0.284 0.000 0.819 913 K CB 1.175 33.804 32.500 0.216 0.000 1.109 913 K HN 0.347 nan 8.250 nan 0.000 0.429 914 P HA -0.078 nan 4.420 nan 0.000 0.269 914 P C -0.631 176.533 177.300 -0.227 0.000 1.215 914 P CA 0.004 62.761 63.100 -0.571 0.000 0.780 914 P CB 0.082 31.339 31.700 -0.738 0.000 0.898 915 Y N -1.604 118.479 120.300 -0.361 0.000 2.953 915 Y HA -0.265 4.284 4.550 -0.000 0.000 0.216 915 Y C 0.909 176.754 175.900 -0.091 0.000 1.125 915 Y CA 0.332 58.310 58.100 -0.203 0.000 0.882 915 Y CB -2.387 35.948 38.460 -0.207 0.000 1.148 915 Y HN 0.359 nan 8.280 nan 0.000 0.479 916 D N 0.667 121.093 120.400 0.044 0.000 2.493 916 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 916 D C 1.189 177.534 176.300 0.074 0.000 1.142 916 D CA 1.996 56.046 54.000 0.084 0.000 0.872 916 D CB 0.766 41.623 40.800 0.096 0.000 1.173 916 D HN 0.632 nan 8.370 nan 0.000 0.467 917 G N 3.866 112.710 108.800 0.073 0.000 4.794 917 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.275 917 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.275 917 G C 0.113 175.046 174.900 0.055 0.000 1.648 917 G CA -0.118 45.017 45.100 0.058 0.000 1.154 917 G HN 0.640 nan 8.290 nan 0.000 0.680 918 I N 5.015 125.619 120.570 0.057 0.000 3.310 918 I HA 0.059 4.229 4.170 -0.000 0.000 0.345 918 I C -1.173 174.957 176.117 0.021 0.000 1.215 918 I CA -1.002 60.320 61.300 0.038 0.000 1.472 918 I CB -0.482 37.547 38.000 0.047 0.000 1.305 918 I HN 0.284 nan 8.210 nan 0.000 0.500 919 P HA 0.175 nan 4.420 nan 0.000 0.284 919 P C 0.394 177.681 177.300 -0.022 0.000 1.253 919 P CA -0.452 62.650 63.100 0.004 0.000 0.800 919 P CB 1.021 32.724 31.700 0.006 0.000 0.961 920 A N 3.646 126.455 122.820 -0.018 0.000 1.985 920 A HA -0.254 4.066 4.320 -0.000 0.000 0.223 920 A C 2.101 179.650 177.584 -0.058 0.000 1.189 920 A CA 2.678 54.691 52.037 -0.040 0.000 0.658 920 A CB -1.830 17.165 19.000 -0.008 0.000 0.820 920 A HN 0.644 nan 8.150 nan 0.000 0.464 921 S N -0.333 115.344 115.700 -0.038 0.000 2.423 921 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 921 S C 1.598 176.167 174.600 -0.052 0.000 1.014 921 S CA 1.260 59.437 58.200 -0.039 0.000 0.965 921 S CB -0.257 62.929 63.200 -0.024 0.000 0.785 921 S HN 0.750 nan 8.310 nan 0.000 0.495 922 E N 0.878 121.044 120.200 -0.057 0.000 2.158 922 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 922 E C 1.785 178.328 176.600 -0.094 0.000 0.982 922 E CA 0.379 56.743 56.400 -0.060 0.000 0.823 922 E CB -0.148 29.526 29.700 -0.044 0.000 0.766 922 E HN 0.366 nan 8.360 nan 0.000 0.468 923 I N 1.625 122.105 120.570 -0.149 0.000 2.091 923 I HA -0.382 3.788 4.170 -0.000 0.000 0.240 923 I C 2.777 178.784 176.117 -0.183 0.000 1.046 923 I CA 1.935 63.087 61.300 -0.247 0.000 1.306 923 I CB -1.698 36.090 38.000 -0.353 0.000 1.018 923 I HN 0.177 nan 8.210 nan 0.000 0.404 924 S N -0.292 115.323 115.700 -0.143 0.000 2.407 924 S HA -0.236 4.234 4.470 -0.000 0.000 0.235 924 S C 2.163 176.721 174.600 -0.070 0.000 1.036 924 S CA 2.147 60.283 58.200 -0.108 0.000 1.013 924 S CB -0.477 62.674 63.200 -0.083 0.000 0.820 924 S HN 0.454 nan 8.310 nan 0.000 0.476 925 S N 0.803 116.466 115.700 -0.061 0.000 2.327 925 S HA 0.233 4.703 4.470 -0.000 0.000 0.213 925 S C 1.728 176.312 174.600 -0.027 0.000 1.032 925 S CA 0.599 58.778 58.200 -0.035 0.000 0.960 925 S CB -0.620 62.563 63.200 -0.029 0.000 0.900 925 S HN 0.572 nan 8.310 nan 0.000 0.469 926 I N 1.868 122.416 120.570 -0.036 0.000 2.141 926 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 926 I C 2.045 178.161 176.117 -0.001 0.000 1.035 926 I CA 1.607 62.896 61.300 -0.018 0.000 1.302 926 I CB -0.374 37.607 38.000 -0.033 0.000 1.006 926 I HN 0.343 nan 8.210 nan 0.000 0.413 927 L N -0.439 120.772 121.223 -0.019 0.000 2.072 927 L HA -0.194 4.146 4.340 -0.000 0.000 0.205 927 L C 2.431 179.331 176.870 0.050 0.000 1.079 927 L CA 1.219 56.080 54.840 0.035 0.000 0.752 927 L CB -0.569 41.513 42.059 0.038 0.000 0.906 927 L HN 0.231 nan 8.230 nan 0.000 0.436 928 E N 0.415 120.626 120.200 0.019 0.000 2.153 928 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 928 E C 2.102 178.720 176.600 0.030 0.000 0.988 928 E CA 0.995 57.410 56.400 0.025 0.000 0.811 928 E CB 0.171 29.877 29.700 0.010 0.000 0.746 928 E HN 0.344 nan 8.360 nan 0.000 0.466 929 K N -1.375 119.039 120.400 0.023 0.000 2.147 929 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 929 K C 1.259 177.880 176.600 0.035 0.000 1.049 929 K CA 0.914 57.215 56.287 0.025 0.000 0.936 929 K CB 0.166 32.678 32.500 0.019 0.000 0.722 929 K HN 0.300 nan 8.250 nan 0.000 0.446 930 G N 1.724 110.552 108.800 0.047 0.000 2.175 930 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.182 930 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.182 930 G C -0.243 174.692 174.900 0.059 0.000 1.003 930 G CA -0.075 45.060 45.100 0.058 0.000 0.666 930 G HN 0.365 nan 8.290 nan 0.000 0.506 931 E N 0.571 120.803 120.200 0.054 0.000 2.390 931 E HA 0.600 4.950 4.350 -0.000 0.000 0.261 931 E C 0.633 177.260 176.600 0.046 0.000 1.076 931 E CA -0.212 56.219 56.400 0.051 0.000 0.905 931 E CB 0.477 30.206 29.700 0.050 0.000 0.984 931 E HN 0.219 nan 8.360 nan 0.000 0.427 932 R N 2.137 122.646 120.500 0.016 0.000 2.906 932 R HA 0.424 4.764 4.340 -0.000 0.000 0.258 932 R C -0.737 175.439 176.300 -0.207 0.000 1.156 932 R CA -0.999 55.042 56.100 -0.098 0.000 0.996 932 R CB 0.106 30.408 30.300 0.003 0.000 1.259 932 R HN 0.572 nan 8.270 nan 0.000 0.462 933 L N 3.744 124.654 121.223 -0.522 0.000 2.461 933 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 933 L C -1.598 175.282 176.870 0.016 0.000 1.197 933 L CA -1.310 53.150 54.840 -0.634 0.000 0.836 933 L CB 0.256 41.496 42.059 -1.364 0.000 1.105 933 L HN 0.249 nan 8.230 nan 0.000 0.477 934 P HA 0.004 nan 4.420 nan 0.000 0.274 934 P C -1.098 176.319 177.300 0.196 0.000 1.231 934 P CA -0.631 62.562 63.100 0.156 0.000 0.790 934 P CB 0.733 32.491 31.700 0.097 0.000 0.951 935 Q N 3.390 122.867 119.800 -0.538 0.000 2.262 935 Q HA 0.065 4.405 4.340 -0.000 0.000 0.298 935 Q C -1.905 173.960 176.000 -0.224 0.000 1.083 935 Q CA -1.042 54.229 55.803 -0.886 0.000 0.962 935 Q CB -0.220 27.775 28.738 -1.238 0.000 1.104 935 Q HN 0.290 nan 8.270 nan 0.000 0.376 936 P HA 0.116 nan 4.420 nan 0.000 0.275 936 P C -2.307 174.921 177.300 -0.120 0.000 1.228 936 P CA -1.405 61.596 63.100 -0.163 0.000 0.786 936 P CB 0.560 32.067 31.700 -0.323 0.000 0.927 937 P HA -0.215 nan 4.420 nan 0.000 0.214 937 P C 1.438 178.721 177.300 -0.028 0.000 1.172 937 P CA 1.618 64.694 63.100 -0.041 0.000 0.925 937 P CB -0.571 31.125 31.700 -0.007 0.000 0.793 938 I N -4.143 116.417 120.570 -0.017 0.000 2.953 938 I HA -0.104 4.066 4.170 -0.000 0.000 0.271 938 I C 0.353 176.466 176.117 -0.008 0.000 1.286 938 I CA 0.567 61.868 61.300 0.002 0.000 1.449 938 I CB -1.434 36.582 38.000 0.026 0.000 1.086 938 I HN -0.156 nan 8.210 nan 0.000 0.483 939 C N 3.452 122.738 119.300 -0.024 0.000 2.482 939 C HA 0.331 4.791 4.460 -0.000 0.000 0.378 939 C C 1.477 176.485 174.990 0.030 0.000 1.284 939 C CA -0.434 58.592 59.018 0.014 0.000 1.826 939 C CB -0.463 27.293 27.740 0.027 0.000 2.473 939 C HN 0.576 nan 8.230 nan 0.000 0.562 940 T N 1.679 116.269 114.554 0.061 0.000 2.855 940 T HA 0.076 4.426 4.350 -0.000 0.000 0.314 940 T C 1.412 176.169 174.700 0.095 0.000 1.077 940 T CA -0.416 61.724 62.100 0.067 0.000 1.095 940 T CB 0.612 69.537 68.868 0.096 0.000 0.987 940 T HN 0.630 nan 8.240 nan 0.000 0.546 941 I N 0.491 121.112 120.570 0.084 0.000 2.286 941 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 941 I C 1.597 177.772 176.117 0.097 0.000 1.115 941 I CA 1.789 63.156 61.300 0.112 0.000 1.392 941 I CB -0.407 37.641 38.000 0.080 0.000 1.065 941 I HN 0.713 nan 8.210 nan 0.000 0.418 942 D N 0.156 120.607 120.400 0.086 0.000 2.133 942 D HA -0.206 4.434 4.640 -0.000 0.000 0.195 942 D C 2.163 178.439 176.300 -0.041 0.000 0.997 942 D CA 1.447 55.468 54.000 0.037 0.000 0.840 942 D CB -0.161 40.709 40.800 0.117 0.000 0.947 942 D HN 0.238 nan 8.370 nan 0.000 0.452 943 V N -0.232 119.693 119.914 0.019 0.000 2.346 943 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 943 V C 1.936 178.050 176.094 0.032 0.000 1.037 943 V CA 1.192 63.484 62.300 -0.013 0.000 1.029 943 V CB -0.754 31.118 31.823 0.082 0.000 0.663 943 V HN 0.261 nan 8.190 nan 0.000 0.454 944 Y N -0.053 120.231 120.300 -0.027 0.000 2.241 944 Y HA -0.368 4.182 4.550 -0.000 0.000 0.286 944 Y C 2.542 178.386 175.900 -0.092 0.000 1.166 944 Y CA 2.179 60.264 58.100 -0.025 0.000 1.203 944 Y CB -0.047 38.425 38.460 0.021 0.000 0.977 944 Y HN 0.233 nan 8.280 nan 0.000 0.529 945 M N -0.278 119.241 119.600 -0.136 0.000 2.213 945 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 945 M C 1.708 177.828 176.300 -0.300 0.000 1.062 945 M CA 1.609 56.773 55.300 -0.226 0.000 1.105 945 M CB -0.285 32.245 32.600 -0.116 0.000 1.385 945 M HN 0.353 nan 8.290 nan 0.000 0.417 946 I N -0.759 119.645 120.570 -0.277 0.000 2.233 946 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 946 I C 2.166 178.034 176.117 -0.415 0.000 1.093 946 I CA 1.211 62.335 61.300 -0.293 0.000 1.380 946 I CB -0.287 37.554 38.000 -0.266 0.000 1.067 946 I HN 0.294 nan 8.210 nan 0.000 0.413 947 M N -0.405 118.899 119.600 -0.494 0.000 2.106 947 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 947 M C 2.367 177.776 176.300 -1.486 0.000 1.068 947 M CA 1.622 56.329 55.300 -0.989 0.000 1.100 947 M CB -0.697 31.397 32.600 -0.844 0.000 1.351 947 M HN 0.121 nan 8.290 nan 0.000 0.404 948 V N 0.285 119.602 119.914 -0.995 0.000 2.453 948 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 948 V C 2.223 178.019 176.094 -0.497 0.000 1.048 948 V CA 1.694 63.582 62.300 -0.686 0.000 1.049 948 V CB -0.569 30.939 31.823 -0.526 0.000 0.672 948 V HN 0.424 nan 8.190 nan 0.000 0.457 949 K N -0.734 119.406 120.400 -0.434 0.000 2.152 949 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 949 K C 2.002 178.406 176.600 -0.327 0.000 1.048 949 K CA 1.703 57.810 56.287 -0.300 0.000 0.933 949 K CB -0.418 31.937 32.500 -0.241 0.000 0.721 949 K HN 0.467 nan 8.250 nan 0.000 0.447 950 C N -0.330 118.659 119.300 -0.517 0.000 2.466 950 C HA -0.047 4.413 4.460 -0.000 0.000 0.283 950 C C 0.820 175.523 174.990 -0.478 0.000 1.472 950 C CA -0.040 58.691 59.018 -0.478 0.000 1.765 950 C CB -0.854 26.543 27.740 -0.572 0.000 1.724 950 C HN 0.562 nan 8.230 nan 0.000 0.560 951 W N -1.015 119.939 121.300 -0.576 0.000 2.771 951 W HA 0.475 5.135 4.660 0.000 0.000 0.412 951 W C 0.234 176.436 176.519 -0.528 0.000 0.965 951 W CA -1.510 55.182 57.345 -1.088 0.000 2.045 951 W CB -1.101 27.685 29.460 -1.123 0.000 1.176 951 W HN 0.162 nan 8.180 nan 0.000 0.634 952 M N 0.974 120.544 119.600 -0.051 0.000 2.239 952 M HA 0.023 4.503 4.480 -0.000 0.000 0.348 952 M C 1.521 177.952 176.300 0.218 0.000 1.239 952 M CA 0.215 55.550 55.300 0.060 0.000 1.114 952 M CB 0.591 33.202 32.600 0.017 0.000 1.641 952 M HN -0.208 nan 8.290 nan 0.000 0.453 953 I N 1.536 122.231 120.570 0.207 0.000 2.113 953 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 953 I C 0.784 176.976 176.117 0.124 0.000 1.057 953 I CA 1.594 63.006 61.300 0.187 0.000 1.314 953 I CB -1.255 36.809 38.000 0.107 0.000 1.022 953 I HN 0.717 nan 8.210 nan 0.000 0.408 954 D N 0.888 121.335 120.400 0.080 0.000 2.383 954 D HA 0.322 4.961 4.640 -0.000 0.000 0.245 954 D C 1.272 177.606 176.300 0.056 0.000 1.263 954 D CA 0.471 54.499 54.000 0.047 0.000 0.936 954 D CB 0.827 41.643 40.800 0.027 0.000 1.053 954 D HN 0.241 nan 8.370 nan 0.000 0.507 955 A N 4.023 126.880 122.820 0.063 0.000 1.958 955 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 955 A C 1.854 179.462 177.584 0.041 0.000 1.178 955 A CA 1.542 53.624 52.037 0.075 0.000 0.642 955 A CB -0.327 18.709 19.000 0.061 0.000 0.816 955 A HN 0.608 nan 8.150 nan 0.000 0.453 956 D N -0.330 120.084 120.400 0.023 0.000 2.263 956 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 956 D C 1.816 178.115 176.300 -0.002 0.000 0.971 956 D CA 1.253 55.259 54.000 0.010 0.000 0.867 956 D CB -0.180 40.625 40.800 0.008 0.000 0.929 956 D HN 0.386 nan 8.370 nan 0.000 0.492 957 S N -0.078 115.623 115.700 0.001 0.000 2.562 957 S HA 0.065 4.535 4.470 -0.000 0.000 0.221 957 S C 0.873 175.453 174.600 -0.034 0.000 0.975 957 S CA -0.085 58.107 58.200 -0.014 0.000 0.918 957 S CB 0.496 63.692 63.200 -0.007 0.000 0.772 957 S HN 0.136 nan 8.310 nan 0.000 0.531 958 R N 1.902 122.386 120.500 -0.027 0.000 2.615 958 R HA 0.311 4.651 4.340 -0.000 0.000 0.270 958 R C -2.649 173.587 176.300 -0.106 0.000 1.081 958 R CA -1.607 54.453 56.100 -0.066 0.000 1.154 958 R CB -0.259 30.023 30.300 -0.030 0.000 1.063 958 R HN 0.028 nan 8.270 nan 0.000 0.519 959 P HA 0.019 nan 4.420 nan 0.000 0.269 959 P C -0.994 176.170 177.300 -0.226 0.000 1.215 959 P CA 0.040 63.039 63.100 -0.168 0.000 0.780 959 P CB 0.551 32.142 31.700 -0.182 0.000 0.898 960 K N 1.754 122.046 120.400 -0.181 0.000 2.185 960 K HA 0.199 4.519 4.320 -0.000 0.000 0.271 960 K C 1.046 177.515 176.600 -0.219 0.000 1.013 960 K CA -0.315 55.857 56.287 -0.192 0.000 0.943 960 K CB -0.025 32.432 32.500 -0.073 0.000 0.998 960 K HN 0.314 nan 8.250 nan 0.000 0.468 961 F N 1.632 121.520 119.950 -0.103 0.000 2.154 961 F HA -0.228 4.299 4.527 -0.000 0.000 0.301 961 F C 2.342 178.079 175.800 -0.106 0.000 1.087 961 F CA 1.727 59.631 58.000 -0.159 0.000 1.274 961 F CB -0.493 38.416 39.000 -0.152 0.000 1.009 961 F HN 0.599 nan 8.300 nan 0.000 0.485 962 R N 0.500 121.055 120.500 0.091 0.000 2.193 962 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 962 R C 1.589 177.898 176.300 0.015 0.000 1.110 962 R CA 1.727 57.855 56.100 0.047 0.000 0.988 962 R CB -0.741 29.577 30.300 0.030 0.000 0.871 962 R HN 0.316 nan 8.270 nan 0.000 0.458 963 E N 1.006 121.197 120.200 -0.015 0.000 2.122 963 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 963 E C 2.001 178.586 176.600 -0.024 0.000 0.977 963 E CA 0.696 57.074 56.400 -0.036 0.000 0.820 963 E CB 0.042 29.702 29.700 -0.067 0.000 0.770 963 E HN 0.286 nan 8.360 nan 0.000 0.462 964 L N 0.751 121.967 121.223 -0.012 0.000 2.093 964 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 964 L C 2.337 179.314 176.870 0.178 0.000 1.085 964 L CA 0.865 55.757 54.840 0.087 0.000 0.755 964 L CB -0.329 41.734 42.059 0.006 0.000 0.904 964 L HN 0.160 nan 8.230 nan 0.000 0.435 965 I N -0.077 120.554 120.570 0.102 0.000 2.127 965 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 965 I C 2.440 178.604 176.117 0.079 0.000 1.075 965 I CA 1.649 63.005 61.300 0.094 0.000 1.334 965 I CB -0.276 37.757 38.000 0.055 0.000 1.040 965 I HN 0.142 nan 8.210 nan 0.000 0.405 966 I N 0.318 120.909 120.570 0.036 0.000 2.069 966 I HA -0.313 3.857 4.170 -0.000 0.000 0.237 966 I C 2.657 178.757 176.117 -0.028 0.000 1.053 966 I CA 1.448 62.749 61.300 0.001 0.000 1.311 966 I CB -0.527 37.462 38.000 -0.019 0.000 1.030 966 I HN 0.258 nan 8.210 nan 0.000 0.398 967 E N 0.461 120.619 120.200 -0.069 0.000 2.085 967 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 967 E C 2.118 178.559 176.600 -0.265 0.000 0.994 967 E CA 1.582 57.865 56.400 -0.194 0.000 0.801 967 E CB -0.406 29.126 29.700 -0.280 0.000 0.743 967 E HN 0.434 nan 8.360 nan 0.000 0.453 968 F N 0.681 120.574 119.950 -0.094 0.000 2.259 968 F HA -0.082 4.445 4.527 0.000 0.000 0.298 968 F C 2.767 178.508 175.800 -0.098 0.000 1.088 968 F CA 0.983 58.926 58.000 -0.096 0.000 1.358 968 F CB -0.426 38.564 39.000 -0.017 0.000 1.040 968 F HN -0.054 nan 8.300 nan 0.000 0.505 969 S N -0.012 115.751 115.700 0.104 0.000 2.368 969 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 969 S C 2.182 176.773 174.600 -0.015 0.000 1.030 969 S CA 1.500 59.722 58.200 0.038 0.000 0.999 969 S CB -0.197 63.019 63.200 0.027 0.000 0.844 969 S HN 0.301 nan 8.310 nan 0.000 0.459 970 K N 0.161 120.525 120.400 -0.060 0.000 2.009 970 K HA -0.076 4.244 4.320 -0.000 0.000 0.210 970 K C 2.282 178.815 176.600 -0.111 0.000 1.049 970 K CA 1.996 58.231 56.287 -0.086 0.000 0.929 970 K CB -0.269 32.153 32.500 -0.130 0.000 0.714 970 K HN 0.423 nan 8.250 nan 0.000 0.440 971 M N -0.174 119.276 119.600 -0.250 0.000 2.229 971 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 971 M C 2.120 178.425 176.300 0.009 0.000 1.063 971 M CA 1.321 56.401 55.300 -0.367 0.000 1.114 971 M CB -0.081 32.144 32.600 -0.625 0.000 1.387 971 M HN 0.194 nan 8.290 nan 0.000 0.420 972 A N 0.143 122.971 122.820 0.014 0.000 2.168 972 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 972 A C 2.026 179.624 177.584 0.025 0.000 1.152 972 A CA 1.012 53.068 52.037 0.031 0.000 0.716 972 A CB -0.515 18.491 19.000 0.009 0.000 0.794 972 A HN 0.449 nan 8.150 nan 0.000 0.465 973 R N -0.826 119.695 120.500 0.035 0.000 2.153 973 R HA -0.029 4.311 4.340 -0.000 0.000 0.218 973 R C -0.081 176.252 176.300 0.055 0.000 1.072 973 R CA 1.187 57.306 56.100 0.032 0.000 0.990 973 R CB 0.052 30.368 30.300 0.027 0.000 0.889 973 R HN 0.401 nan 8.270 nan 0.000 0.452 974 D N -0.225 120.247 120.400 0.120 0.000 2.656 974 D HA 0.117 4.757 4.640 -0.000 0.000 0.303 974 D C -1.936 174.447 176.300 0.138 0.000 1.199 974 D CA -2.106 51.955 54.000 0.102 0.000 0.797 974 D CB 1.040 41.893 40.800 0.088 0.000 1.170 974 D HN -0.114 nan 8.370 nan 0.000 0.509 975 P HA -0.122 nan 4.420 nan 0.000 0.226 975 P C 1.181 178.522 177.300 0.069 0.000 1.153 975 P CA 0.672 63.848 63.100 0.127 0.000 0.777 975 P CB 0.539 32.269 31.700 0.048 0.000 0.794 976 Q N -0.554 119.247 119.800 0.001 0.000 2.432 976 Q HA 0.023 4.363 4.340 -0.000 0.000 0.205 976 Q C 2.310 178.244 176.000 -0.110 0.000 0.945 976 Q CA 0.345 56.127 55.803 -0.035 0.000 0.924 976 Q CB -0.195 28.523 28.738 -0.033 0.000 1.016 976 Q HN 0.096 nan 8.270 nan 0.000 0.503 977 R N -1.111 119.248 120.500 -0.235 0.000 2.276 977 R HA -0.041 4.299 4.340 -0.000 0.000 0.196 977 R C 0.433 176.326 176.300 -0.679 0.000 0.961 977 R CA 0.827 56.632 56.100 -0.492 0.000 1.024 977 R CB 0.348 30.209 30.300 -0.732 0.000 0.940 977 R HN 0.314 nan 8.270 nan 0.000 0.480 978 Y N -1.008 119.286 120.300 -0.011 0.000 2.467 978 Y HA 0.327 4.877 4.550 -0.000 0.000 0.259 978 Y C 0.042 175.943 175.900 0.000 0.000 1.084 978 Y CA -0.413 57.680 58.100 -0.010 0.000 1.275 978 Y CB 1.143 39.594 38.460 -0.015 0.000 1.208 978 Y HN -0.142 nan 8.280 nan 0.000 0.511 979 L N 0.996 122.278 121.223 0.097 0.000 2.406 979 L HA 0.475 4.815 4.340 -0.000 0.000 0.272 979 L C -1.253 175.635 176.870 0.031 0.000 0.980 979 L CA -0.869 54.008 54.840 0.063 0.000 0.831 979 L CB 2.569 44.666 42.059 0.064 0.000 1.253 979 L HN -0.316 nan 8.230 nan 0.000 0.406 980 V N 5.282 125.209 119.914 0.022 0.000 2.320 980 V HA 0.384 4.504 4.120 -0.000 0.000 0.265 980 V C 0.160 176.276 176.094 0.038 0.000 1.048 980 V CA 0.002 62.311 62.300 0.015 0.000 0.865 980 V CB 0.854 32.677 31.823 -0.000 0.000 1.043 980 V HN 0.478 nan 8.190 nan 0.000 0.474 981 I N 4.212 124.810 120.570 0.047 0.000 2.406 981 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 981 I C -0.255 175.885 176.117 0.039 0.000 0.999 981 I CA -1.066 60.277 61.300 0.072 0.000 1.124 981 I CB 2.152 40.221 38.000 0.115 0.000 1.289 981 I HN 0.469 nan 8.210 nan 0.000 0.441 982 Q N 4.397 124.214 119.800 0.028 0.000 2.264 982 Q HA 0.203 4.543 4.340 -0.000 0.000 0.296 982 Q C 0.966 176.966 176.000 -0.000 0.000 1.103 982 Q CA 0.799 56.605 55.803 0.006 0.000 0.967 982 Q CB -0.155 28.580 28.738 -0.006 0.000 1.090 982 Q HN 0.919 nan 8.270 nan 0.000 0.379 983 G N 2.823 111.623 108.800 -0.001 0.000 2.272 983 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.280 983 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.280 983 G C 0.529 175.433 174.900 0.005 0.000 1.067 983 G CA 0.231 45.330 45.100 -0.002 0.000 0.902 983 G HN 0.670 nan 8.290 nan 0.000 0.500 984 D N 0.949 121.357 120.400 0.012 0.000 2.078 984 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 984 D C 2.485 178.796 176.300 0.020 0.000 0.990 984 D CA 1.499 55.513 54.000 0.022 0.000 0.827 984 D CB 0.017 40.831 40.800 0.022 0.000 0.975 984 D HN 0.620 nan 8.370 nan 0.000 0.451 985 E N 1.293 121.500 120.200 0.012 0.000 2.086 985 E HA -0.265 4.085 4.350 -0.000 0.000 0.205 985 E C 1.037 177.646 176.600 0.015 0.000 1.027 985 E CA 1.071 57.477 56.400 0.011 0.000 0.830 985 E CB -1.055 28.648 29.700 0.004 0.000 0.751 985 E HN 0.489 nan 8.360 nan 0.000 0.456 986 R N 0.965 121.472 120.500 0.011 0.000 2.891 986 R HA 0.532 4.872 4.340 -0.000 0.000 0.248 986 R C -0.245 176.062 176.300 0.012 0.000 1.439 986 R CA -0.048 56.059 56.100 0.011 0.000 1.288 986 R CB -0.209 30.094 30.300 0.005 0.000 1.212 986 R HN 0.057 nan 8.270 nan 0.000 0.605 987 M N 1.994 121.607 119.600 0.023 0.000 2.234 987 M HA 0.278 4.758 4.480 -0.000 0.000 0.267 987 M C -1.427 174.893 176.300 0.034 0.000 1.022 987 M CA -0.012 55.300 55.300 0.019 0.000 0.993 987 M CB 2.411 35.022 32.600 0.019 0.000 1.836 987 M HN 0.849 nan 8.290 nan 0.000 0.479 988 H N 3.412 122.489 119.070 0.011 0.000 2.589 988 H HA 0.880 5.436 4.556 -0.000 0.000 0.351 988 H C -1.835 173.474 175.328 -0.033 0.000 1.074 988 H CA -0.643 55.418 56.048 0.022 0.000 1.203 988 H CB 1.655 31.438 29.762 0.034 0.000 1.558 988 H HN 0.748 nan 8.280 nan 0.000 0.522 1004 E N 2.506 122.705 120.200 -0.002 0.000 2.565 1004 E HA 0.241 4.591 4.350 -0.000 0.000 0.289 1004 E C 0.078 176.680 176.600 0.003 0.000 1.182 1004 E CA -0.905 55.495 56.400 0.001 0.000 0.932 1004 E CB 0.814 30.515 29.700 0.002 0.000 1.145 1004 E HN 0.315 nan 8.360 nan 0.000 0.440 1005 E N 1.637 121.839 120.200 0.003 0.000 3.422 1005 E HA -0.350 4.000 4.350 -0.000 0.000 0.426 1005 E C -0.433 176.168 176.600 0.002 0.000 1.588 1005 E CA 1.932 58.334 56.400 0.003 0.000 1.437 1005 E CB -1.523 28.180 29.700 0.004 0.000 1.496 1005 E HN 0.739 nan 8.360 nan 0.000 0.445 1006 D N 1.270 121.671 120.400 0.001 0.000 2.232 1006 D HA 0.311 4.951 4.640 -0.000 0.000 0.242 1006 D C 0.405 176.703 176.300 -0.003 0.000 1.093 1006 D CA -0.139 53.860 54.000 -0.001 0.000 0.845 1006 D CB 0.640 41.438 40.800 -0.003 0.000 1.124 1006 D HN 0.369 nan 8.370 nan 0.000 0.467 1007 M N 2.602 122.200 119.600 -0.003 0.000 2.541 1007 M HA -0.015 4.465 4.480 -0.000 0.000 0.429 1007 M C 0.433 176.730 176.300 -0.005 0.000 1.133 1007 M CA -0.228 55.069 55.300 -0.005 0.000 0.902 1007 M CB 0.368 32.967 32.600 -0.001 0.000 1.712 1007 M HN 0.361 nan 8.290 nan 0.000 0.577 1008 D N 0.063 120.460 120.400 -0.005 0.000 2.378 1008 D HA -0.131 4.509 4.640 -0.000 0.000 0.222 1008 D C 0.543 176.838 176.300 -0.008 0.000 0.980 1008 D CA 0.852 54.850 54.000 -0.004 0.000 0.907 1008 D CB 0.169 40.968 40.800 -0.003 0.000 0.899 1008 D HN 0.201 nan 8.370 nan 0.000 0.527 1009 D N 0.044 120.435 120.400 -0.015 0.000 2.433 1009 D HA 0.089 4.729 4.640 -0.000 0.000 0.211 1009 D C 0.148 176.429 176.300 -0.032 0.000 1.114 1009 D CA -0.169 53.816 54.000 -0.025 0.000 0.837 1009 D CB 1.187 41.966 40.800 -0.036 0.000 0.984 1009 D HN 0.001 nan 8.370 nan 0.000 0.505 1010 V N 1.417 121.317 119.914 -0.022 0.000 2.655 1010 V HA 0.097 4.217 4.120 -0.000 0.000 0.300 1010 V C 0.429 176.515 176.094 -0.013 0.000 1.044 1010 V CA 0.173 62.459 62.300 -0.023 0.000 1.095 1010 V CB 1.499 33.316 31.823 -0.010 0.000 0.952 1010 V HN -0.184 nan 8.190 nan 0.000 0.485 1011 V N 4.246 124.148 119.914 -0.018 0.000 2.841 1011 V HA 0.352 4.472 4.120 -0.000 0.000 0.310 1011 V C -0.189 175.917 176.094 0.021 0.000 1.090 1011 V CA -0.872 61.433 62.300 0.009 0.000 0.930 1011 V CB 2.126 33.961 31.823 0.020 0.000 1.014 1011 V HN 0.910 nan 8.190 nan 0.000 0.425 1012 D N 2.252 122.677 120.400 0.042 0.000 2.341 1012 D HA 0.318 4.958 4.640 -0.000 0.000 0.245 1012 D C 1.120 177.471 176.300 0.085 0.000 1.106 1012 D CA 0.461 54.488 54.000 0.046 0.000 0.905 1012 D CB 2.311 43.132 40.800 0.036 0.000 1.202 1012 D HN 0.652 nan 8.370 nan 0.000 0.426 1013 A N 3.880 126.752 122.820 0.088 0.000 1.917 1013 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 1013 A C 1.586 179.249 177.584 0.131 0.000 1.182 1013 A CA 1.586 53.712 52.037 0.149 0.000 0.633 1013 A CB -0.292 18.777 19.000 0.115 0.000 0.819 1013 A HN 0.666 nan 8.150 nan 0.000 0.448 1014 D N -0.646 119.790 120.400 0.060 0.000 2.311 1014 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 1014 D C 1.275 177.601 176.300 0.043 0.000 0.972 1014 D CA 1.326 55.345 54.000 0.032 0.000 0.887 1014 D CB -0.118 40.684 40.800 0.003 0.000 0.915 1014 D HN 0.584 nan 8.370 nan 0.000 0.497 1015 E N -1.342 118.901 120.200 0.072 0.000 2.526 1015 E HA 0.067 4.417 4.350 -0.000 0.000 0.208 1015 E C -0.366 176.300 176.600 0.109 0.000 0.997 1015 E CA -0.256 56.184 56.400 0.067 0.000 0.961 1015 E CB 0.263 29.998 29.700 0.060 0.000 1.030 1015 E HN 0.272 nan 8.360 nan 0.000 0.483 1016 Y N 1.013 121.320 120.300 0.011 0.000 2.518 1016 Y HA 0.420 4.970 4.550 0.000 0.000 0.344 1016 Y C -0.981 174.936 175.900 0.028 0.000 0.982 1016 Y CA -0.809 57.298 58.100 0.013 0.000 1.234 1016 Y CB 0.138 38.611 38.460 0.021 0.000 1.114 1016 Y HN -0.161 nan 8.280 nan 0.000 0.515 1017 L N 7.063 128.004 121.223 -0.470 0.000 2.330 1017 L HA 0.649 4.989 4.340 -0.000 0.000 0.271 1017 L C -0.743 175.832 176.870 -0.493 0.000 1.013 1017 L CA -0.899 53.714 54.840 -0.378 0.000 0.816 1017 L CB 1.944 43.895 42.059 -0.180 0.000 1.287 1017 L HN 0.579 nan 8.230 nan 0.000 0.435 1018 I N -1.648 118.750 120.570 -0.286 0.000 2.828 1018 I HA 0.757 4.927 4.170 -0.000 0.000 0.302 1018 I C -2.173 173.886 176.117 -0.096 0.000 1.101 1018 I CA -1.743 59.442 61.300 -0.191 0.000 1.031 1018 I CB 0.372 38.297 38.000 -0.124 0.000 1.231 1018 I HN 0.380 nan 8.210 nan 0.000 0.427 1019 P HA 0.000 nan 4.420 nan 0.000 0.216 1019 P CA 0.000 63.075 63.100 -0.042 0.000 0.800 1019 P CB 0.000 31.682 31.700 -0.029 0.000 0.726