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 3o4x_1_F DATA FIRST_RESID 745 DATA SEQUENCE VLPFGLTPKK VYKPEVQLRR PNWSKFVAED LSQDCFWTKV KEDRFENNEL DATA SEQUENCE FAKLTLAFSA QTXXXXXXXX XXXXXXXXXX XXXKVKELKV LDSKTAQNLS DATA SEQUENCE IFLGSFRMPY QEIKNVILEV NEAVLTESMI QNLIKQMPEP EQLKMLSELK DATA SEQUENCE EEYDDLAESE QFGVVMGTVP RLRPRLNAIL FKLQFSEQVE NIKPEIVSVT DATA SEQUENCE AACEELRKSE NFSSLLELTL LVGNYMNAGS RNAGAFGFNI SFLCKLRDTK DATA SEQUENCE SADQKMTLLH FLAELCENDH PEVLKFPDEL AHVEKASRVS AENLQKSLDQ DATA SEQUENCE MKKQIADVER DVQNFPAATD EKDKFVEKMT SFVKDAQEQY NKLRMMHSNM DATA SEQUENCE ETLYKELGDY FVFDPKKLSV EEFFMDLHNF RNMFLQAVKE NQKRRETEEK DATA SEQUENCE MRRAKLAKEK AEKERLEKQQ KREQLIDMNA EGDETGVMDS LLEALQSGAA DATA SEQUENCE FRRK 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 745 V HA 0.000 nan 4.120 nan 0.000 0.244 745 V C 0.000 176.041 176.094 -0.089 0.000 1.182 745 V CA 0.000 62.264 62.300 -0.059 0.000 1.235 745 V CB 0.000 31.793 31.823 -0.051 0.000 1.184 746 L N 1.550 122.724 121.223 -0.081 0.000 1.152 746 L HA -0.037 4.302 4.340 -0.002 0.000 0.395 746 L C -2.431 174.348 176.870 -0.152 0.000 1.003 746 L CA 0.334 55.115 54.840 -0.098 0.000 1.222 746 L CB -1.352 40.649 42.059 -0.096 0.000 0.742 746 L HN 0.449 nan 8.230 nan 0.000 0.402 747 P HA 0.420 nan 4.420 nan 0.000 0.281 747 P C -0.077 177.144 177.300 -0.132 0.000 1.281 747 P CA -0.531 62.509 63.100 -0.099 0.000 0.811 747 P CB 0.399 32.104 31.700 0.009 0.000 1.154 748 F N 0.396 120.341 119.950 -0.008 0.000 2.662 748 F HA 0.332 4.858 4.527 -0.001 0.000 0.343 748 F C 1.773 177.568 175.800 -0.009 0.000 1.302 748 F CA 1.125 59.120 58.000 -0.008 0.000 1.142 748 F CB -1.185 37.809 39.000 -0.009 0.000 1.524 748 F HN 0.636 nan 8.300 nan 0.000 0.668 749 G N 2.595 111.447 108.800 0.087 0.000 2.160 749 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.244 749 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.244 749 G C -0.324 174.599 174.900 0.039 0.000 1.022 749 G CA 0.313 45.448 45.100 0.059 0.000 0.741 749 G HN 0.667 nan 8.290 nan 0.000 0.508 750 L N -4.047 117.194 121.223 0.030 0.000 2.656 750 L HA 1.001 5.340 4.340 -0.002 0.000 0.252 750 L C 0.061 176.934 176.870 0.005 0.000 1.129 750 L CA -0.783 54.069 54.840 0.019 0.000 0.962 750 L CB 1.102 43.179 42.059 0.030 0.000 1.565 750 L HN 0.374 nan 8.230 nan 0.000 0.389 751 T N -2.755 111.801 114.554 0.003 0.000 2.885 751 T HA 0.775 5.124 4.350 -0.002 0.000 0.285 751 T C -2.585 172.112 174.700 -0.005 0.000 1.019 751 T CA -1.635 60.462 62.100 -0.006 0.000 1.010 751 T CB 1.219 70.081 68.868 -0.010 0.000 1.022 751 T HN 0.501 nan 8.240 nan 0.000 0.466 752 P HA 0.320 nan 4.420 nan 0.000 0.270 752 P C -0.539 176.747 177.300 -0.023 0.000 1.227 752 P CA -0.592 62.498 63.100 -0.017 0.000 0.788 752 P CB 0.447 32.131 31.700 -0.028 0.000 0.926 753 K N 1.194 121.579 120.400 -0.026 0.000 2.110 753 K HA 0.196 4.515 4.320 -0.002 0.000 0.263 753 K C 0.078 176.616 176.600 -0.103 0.000 0.975 753 K CA -0.857 55.408 56.287 -0.036 0.000 0.895 753 K CB 0.654 33.155 32.500 0.002 0.000 1.060 753 K HN 0.314 nan 8.250 nan 0.000 0.448 754 K N 2.110 122.396 120.400 -0.190 0.000 2.412 754 K HA 0.081 4.400 4.320 -0.002 0.000 0.281 754 K C -0.553 175.751 176.600 -0.494 0.000 1.027 754 K CA -0.381 55.692 56.287 -0.356 0.000 0.989 754 K CB 0.592 32.807 32.500 -0.474 0.000 0.935 754 K HN 0.162 nan 8.250 nan 0.000 0.475 755 V N 4.732 124.441 119.914 -0.340 0.000 2.387 755 V HA 0.076 4.195 4.120 -0.002 0.000 0.260 755 V C -0.248 175.680 176.094 -0.276 0.000 1.054 755 V CA -0.476 61.683 62.300 -0.234 0.000 0.967 755 V CB -1.155 30.602 31.823 -0.111 0.000 1.036 755 V HN 0.524 nan 8.190 nan 0.000 0.481 756 Y N 3.565 123.835 120.300 -0.050 0.000 2.300 756 Y HA 0.420 4.969 4.550 -0.001 0.000 0.328 756 Y C 0.838 176.709 175.900 -0.049 0.000 1.270 756 Y CA -0.425 57.630 58.100 -0.074 0.000 1.352 756 Y CB 0.973 39.371 38.460 -0.102 0.000 1.286 756 Y HN 0.429 nan 8.280 nan 0.000 0.536 757 K N 3.221 123.697 120.400 0.126 0.000 2.646 757 K HA 0.336 4.655 4.320 -0.002 0.000 0.210 757 K C -2.718 173.913 176.600 0.052 0.000 1.020 757 K CA -1.728 54.597 56.287 0.064 0.000 1.040 757 K CB 0.871 33.390 32.500 0.032 0.000 1.253 757 K HN 0.409 nan 8.250 nan 0.000 0.532 758 P HA 0.168 nan 4.420 nan 0.000 0.278 758 P C 0.506 177.822 177.300 0.025 0.000 1.238 758 P CA -0.515 62.601 63.100 0.027 0.000 0.794 758 P CB 1.111 32.822 31.700 0.019 0.000 0.955 759 E N 0.165 120.380 120.200 0.026 0.000 2.028 759 E HA -0.008 4.341 4.350 -0.002 0.000 0.191 759 E C 0.368 176.982 176.600 0.022 0.000 0.988 759 E CA 1.196 57.611 56.400 0.024 0.000 0.799 759 E CB -0.097 29.618 29.700 0.026 0.000 0.755 759 E HN 0.259 nan 8.360 nan 0.000 0.447 760 V N 1.612 121.541 119.914 0.026 0.000 2.581 760 V HA 0.183 4.302 4.120 -0.002 0.000 0.303 760 V C -0.015 176.094 176.094 0.026 0.000 1.041 760 V CA -0.965 61.350 62.300 0.025 0.000 0.907 760 V CB 1.742 33.583 31.823 0.028 0.000 0.994 760 V HN 0.010 nan 8.190 nan 0.000 0.442 761 Q N 2.849 122.662 119.800 0.021 0.000 2.297 761 Q HA 0.466 4.805 4.340 -0.002 0.000 0.267 761 Q C -1.019 174.995 176.000 0.024 0.000 1.006 761 Q CA 0.309 56.122 55.803 0.017 0.000 0.896 761 Q CB 0.738 29.482 28.738 0.011 0.000 1.186 761 Q HN 0.574 nan 8.270 nan 0.000 0.392 762 L N 2.604 123.839 121.223 0.019 0.000 2.492 762 L HA 0.617 4.957 4.340 -0.002 0.000 0.263 762 L C 0.223 177.097 176.870 0.006 0.000 1.062 762 L CA -0.824 54.038 54.840 0.036 0.000 0.817 762 L CB 0.658 42.735 42.059 0.029 0.000 1.441 762 L HN 0.506 nan 8.230 nan 0.000 0.493 763 R N 0.491 121.000 120.500 0.015 0.000 2.368 763 R HA 0.631 4.970 4.340 -0.002 0.000 0.302 763 R C -0.805 175.386 176.300 -0.181 0.000 1.002 763 R CA -0.674 55.400 56.100 -0.043 0.000 0.929 763 R CB 1.138 31.464 30.300 0.042 0.000 1.073 763 R HN 0.611 nan 8.270 nan 0.000 0.464 764 R N 1.827 122.212 120.500 -0.192 0.000 2.744 764 R HA 0.538 4.877 4.340 -0.002 0.000 0.279 764 R C -2.670 173.426 176.300 -0.341 0.000 0.977 764 R CA -2.048 53.882 56.100 -0.284 0.000 0.906 764 R CB 1.014 31.179 30.300 -0.224 0.000 1.197 764 R HN 0.374 nan 8.270 nan 0.000 0.463 765 P HA 0.164 nan 4.420 nan 0.000 0.281 765 P C -0.915 176.019 177.300 -0.610 0.000 1.252 765 P CA -0.541 62.188 63.100 -0.618 0.000 0.778 765 P CB 0.644 31.735 31.700 -1.014 0.000 0.895 766 N N 2.977 121.487 118.700 -0.317 0.000 2.994 766 N HA 0.065 4.804 4.740 -0.002 0.000 0.306 766 N C 0.279 175.780 175.510 -0.014 0.000 1.348 766 N CA -0.239 52.717 53.050 -0.158 0.000 1.109 766 N CB -0.063 38.374 38.487 -0.083 0.000 1.415 766 N HN 0.506 nan 8.380 nan 0.000 0.529 767 W N 0.283 121.527 121.300 -0.092 0.000 1.966 767 W HA 0.367 5.025 4.660 -0.002 0.000 0.367 767 W C 0.140 176.564 176.519 -0.159 0.000 1.451 767 W CA -1.400 55.871 57.345 -0.123 0.000 1.538 767 W CB -0.704 28.667 29.460 -0.149 0.000 1.251 767 W HN -0.204 nan 8.180 nan 0.000 0.671 768 S N 1.586 117.301 115.700 0.025 0.000 2.473 768 S HA 0.161 4.630 4.470 -0.002 0.000 0.312 768 S C 0.236 174.469 174.600 -0.613 0.000 1.087 768 S CA -0.850 57.229 58.200 -0.200 0.000 1.077 768 S CB -0.675 62.414 63.200 -0.185 0.000 1.065 768 S HN 0.348 nan 8.310 nan 0.000 0.510 769 K N 2.176 122.329 120.400 -0.412 0.000 2.319 769 K HA 0.246 4.565 4.320 -0.002 0.000 0.265 769 K C -1.080 175.201 176.600 -0.533 0.000 1.000 769 K CA 0.050 56.004 56.287 -0.554 0.000 0.943 769 K CB 0.332 32.725 32.500 -0.179 0.000 0.950 769 K HN 0.380 nan 8.250 nan 0.000 0.485 770 F N 2.177 121.924 119.950 -0.339 0.000 2.366 770 F HA 0.234 4.760 4.527 -0.002 0.000 0.366 770 F C 0.106 175.793 175.800 -0.188 0.000 1.096 770 F CA -1.409 56.432 58.000 -0.264 0.000 1.060 770 F CB 1.767 40.546 39.000 -0.369 0.000 1.282 770 F HN 0.286 nan 8.300 nan 0.000 0.450 771 V N 3.716 123.684 119.914 0.089 0.000 3.083 771 V HA 0.396 4.515 4.120 -0.002 0.000 0.306 771 V C 1.225 177.352 176.094 0.056 0.000 1.077 771 V CA 0.554 62.882 62.300 0.046 0.000 1.073 771 V CB 1.420 33.268 31.823 0.043 0.000 1.081 771 V HN 0.964 nan 8.190 nan 0.000 0.474 772 A N 4.036 126.887 122.820 0.052 0.000 1.771 772 A HA -0.293 4.026 4.320 -0.002 0.000 0.290 772 A C 1.126 178.779 177.584 0.115 0.000 3.024 772 A CA 2.833 54.916 52.037 0.077 0.000 0.911 772 A CB -1.153 17.891 19.000 0.072 0.000 0.802 772 A HN 1.270 nan 8.150 nan 0.000 0.514 773 E N -0.642 119.637 120.200 0.133 0.000 2.663 773 E HA 0.481 4.830 4.350 -0.002 0.000 0.240 773 E C -0.539 176.070 176.600 0.015 0.000 1.227 773 E CA 0.388 56.877 56.400 0.147 0.000 1.528 773 E CB 0.202 30.113 29.700 0.353 0.000 1.472 773 E HN 0.568 nan 8.360 nan 0.000 0.433 774 D N -0.299 120.086 120.400 -0.026 0.000 2.392 774 D HA 0.116 4.755 4.640 -0.002 0.000 0.206 774 D C -0.021 176.176 176.300 -0.171 0.000 1.046 774 D CA -0.008 53.927 54.000 -0.109 0.000 0.865 774 D CB 0.383 41.102 40.800 -0.135 0.000 0.969 774 D HN 0.160 nan 8.370 nan 0.000 0.509 775 L N 0.322 121.475 121.223 -0.117 0.000 2.490 775 L HA 0.415 4.754 4.340 -0.002 0.000 0.245 775 L C 0.885 177.689 176.870 -0.110 0.000 1.185 775 L CA -0.204 54.583 54.840 -0.088 0.000 0.813 775 L CB 0.623 42.684 42.059 0.003 0.000 1.233 775 L HN -0.041 nan 8.230 nan 0.000 0.489 776 S N -1.828 113.828 115.700 -0.073 0.000 2.697 776 S HA 0.379 4.848 4.470 -0.002 0.000 0.289 776 S C 0.260 174.834 174.600 -0.043 0.000 1.149 776 S CA -0.720 57.425 58.200 -0.091 0.000 0.850 776 S CB 1.399 64.546 63.200 -0.088 0.000 1.151 776 S HN 0.430 nan 8.310 nan 0.000 0.491 777 Q N 0.242 120.016 119.800 -0.043 0.000 2.167 777 Q HA 0.026 4.365 4.340 -0.002 0.000 0.202 777 Q C -0.151 175.841 176.000 -0.014 0.000 0.970 777 Q CA 1.433 57.226 55.803 -0.016 0.000 0.855 777 Q CB -0.400 28.331 28.738 -0.012 0.000 0.911 777 Q HN 0.696 nan 8.270 nan 0.000 0.438 778 D N -0.344 120.044 120.400 -0.020 0.000 2.643 778 D HA 0.087 4.726 4.640 -0.002 0.000 0.244 778 D C -0.068 176.227 176.300 -0.009 0.000 1.257 778 D CA -0.138 53.852 54.000 -0.016 0.000 0.831 778 D CB -0.106 40.683 40.800 -0.018 0.000 1.043 778 D HN 0.243 nan 8.370 nan 0.000 0.488 779 C N -2.207 117.093 119.300 -0.001 0.000 2.345 779 C HA 0.528 4.987 4.460 -0.002 0.000 0.370 779 C C 2.001 177.003 174.990 0.020 0.000 1.209 779 C CA -1.012 58.020 59.018 0.023 0.000 2.133 779 C CB 0.150 27.919 27.740 0.048 0.000 2.293 779 C HN 0.269 nan 8.230 nan 0.000 0.544 780 F N 0.341 120.188 119.950 -0.172 0.000 2.102 780 F HA 0.056 4.583 4.527 -0.001 0.000 0.298 780 F C 1.712 177.361 175.800 -0.251 0.000 1.105 780 F CA 1.394 59.213 58.000 -0.301 0.000 1.239 780 F CB -0.352 38.328 39.000 -0.534 0.000 0.991 780 F HN 0.770 nan 8.300 nan 0.000 0.474 781 W N 0.520 121.771 121.300 -0.081 0.000 2.721 781 W HA -0.076 4.583 4.660 -0.002 0.000 0.245 781 W C 2.227 178.641 176.519 -0.176 0.000 1.276 781 W CA 0.954 58.197 57.345 -0.169 0.000 1.342 781 W CB -0.771 28.706 29.460 0.029 0.000 1.135 781 W HN -0.094 nan 8.180 nan 0.000 0.654 782 T N 0.001 114.564 114.554 0.016 0.000 2.857 782 T HA -0.191 4.158 4.350 -0.002 0.000 0.266 782 T C 1.770 176.418 174.700 -0.086 0.000 1.048 782 T CA 1.229 63.322 62.100 -0.011 0.000 1.139 782 T CB -0.183 68.680 68.868 -0.009 0.000 0.874 782 T HN 0.186 nan 8.240 nan 0.000 0.455 783 K N 2.040 122.321 120.400 -0.198 0.000 2.283 783 K HA -0.041 4.279 4.320 -0.002 0.000 0.202 783 K C 1.683 178.131 176.600 -0.253 0.000 1.048 783 K CA 0.915 57.059 56.287 -0.239 0.000 0.948 783 K CB -0.140 32.176 32.500 -0.306 0.000 0.742 783 K HN 0.383 nan 8.250 nan 0.000 0.458 784 V N -0.481 119.271 119.914 -0.269 0.000 3.416 784 V HA 0.143 4.262 4.120 -0.002 0.000 0.334 784 V C 0.848 176.927 176.094 -0.025 0.000 1.271 784 V CA 0.161 62.368 62.300 -0.154 0.000 1.274 784 V CB -0.695 31.071 31.823 -0.095 0.000 1.153 784 V HN 0.131 nan 8.190 nan 0.000 0.433 785 K N 0.850 121.228 120.400 -0.036 0.000 3.077 785 K HA 0.061 4.380 4.320 -0.002 0.000 0.269 785 K C 1.040 177.643 176.600 0.005 0.000 0.973 785 K CA 0.318 56.603 56.287 -0.003 0.000 1.162 785 K CB 0.024 32.517 32.500 -0.011 0.000 1.079 785 K HN 0.789 nan 8.250 nan 0.000 0.456 786 E N -0.211 120.000 120.200 0.018 0.000 2.101 786 E HA -0.034 4.315 4.350 -0.002 0.000 0.194 786 E C 0.161 176.823 176.600 0.104 0.000 0.950 786 E CA 0.069 56.497 56.400 0.047 0.000 0.917 786 E CB 0.219 29.938 29.700 0.031 0.000 0.963 786 E HN 0.207 nan 8.360 nan 0.000 0.476 787 D N -0.909 119.578 120.400 0.146 0.000 3.018 787 D HA -0.199 4.440 4.640 -0.002 0.000 0.224 787 D C 0.862 177.290 176.300 0.212 0.000 1.185 787 D CA 0.727 54.843 54.000 0.194 0.000 0.858 787 D CB -0.234 40.670 40.800 0.174 0.000 1.112 787 D HN -0.005 nan 8.370 nan 0.000 0.415 788 R N -1.490 119.136 120.500 0.209 0.000 2.507 788 R HA 0.170 4.509 4.340 -0.002 0.000 0.230 788 R C 1.592 178.036 176.300 0.241 0.000 0.897 788 R CA -0.153 56.065 56.100 0.197 0.000 1.006 788 R CB -0.282 30.109 30.300 0.152 0.000 1.341 788 R HN 0.209 nan 8.270 nan 0.000 0.604 789 F N 2.014 122.010 119.950 0.077 0.000 2.408 789 F HA -0.094 4.432 4.527 -0.002 0.000 0.300 789 F C 0.104 175.942 175.800 0.064 0.000 1.090 789 F CA 1.395 59.433 58.000 0.063 0.000 1.427 789 F CB 0.375 39.410 39.000 0.058 0.000 1.070 789 F HN -0.061 nan 8.300 nan 0.000 0.549 790 E N -0.422 119.844 120.200 0.109 0.000 3.918 790 E HA 0.154 4.503 4.350 -0.002 0.000 0.183 790 E C -0.971 175.656 176.600 0.045 0.000 1.021 790 E CA -0.178 56.227 56.400 0.008 0.000 1.431 790 E CB -0.150 29.563 29.700 0.023 0.000 1.140 790 E HN -0.001 nan 8.360 nan 0.000 0.435 791 N N 0.949 119.705 118.700 0.093 0.000 2.455 791 N HA 0.421 5.160 4.740 -0.002 0.000 0.280 791 N C -0.466 175.093 175.510 0.081 0.000 1.055 791 N CA -0.219 52.928 53.050 0.161 0.000 0.961 791 N CB 0.846 39.482 38.487 0.248 0.000 1.121 791 N HN 0.113 nan 8.380 nan 0.000 0.476 792 N N 0.227 118.954 118.700 0.044 0.000 3.587 792 N HA 0.218 4.957 4.740 -0.002 0.000 0.339 792 N C -0.282 175.255 175.510 0.045 0.000 1.636 792 N CA -0.335 52.707 53.050 -0.013 0.000 0.788 792 N CB 0.585 39.002 38.487 -0.117 0.000 2.205 792 N HN 0.401 nan 8.380 nan 0.000 0.600 793 E N 0.766 120.964 120.200 -0.003 0.000 2.474 793 E HA 0.073 4.422 4.350 -0.002 0.000 0.195 793 E C 1.413 177.990 176.600 -0.037 0.000 1.039 793 E CA 0.095 56.523 56.400 0.047 0.000 0.881 793 E CB -0.024 29.697 29.700 0.035 0.000 0.970 793 E HN 0.355 nan 8.360 nan 0.000 0.486 794 L N -1.510 119.582 121.223 -0.219 0.000 2.189 794 L HA -0.141 4.198 4.340 -0.002 0.000 0.214 794 L C 1.740 178.463 176.870 -0.245 0.000 1.097 794 L CA 1.553 56.231 54.840 -0.270 0.000 0.764 794 L CB -1.056 40.782 42.059 -0.369 0.000 0.900 794 L HN -0.056 nan 8.230 nan 0.000 0.436 795 F N 1.093 121.033 119.950 -0.017 0.000 2.250 795 F HA -0.071 4.455 4.527 -0.001 0.000 0.301 795 F C 2.578 178.370 175.800 -0.014 0.000 1.077 795 F CA 1.035 59.011 58.000 -0.040 0.000 1.348 795 F CB -1.057 37.898 39.000 -0.076 0.000 1.040 795 F HN 0.238 nan 8.300 nan 0.000 0.509 796 A N 0.125 123.030 122.820 0.143 0.000 1.898 796 A HA -0.110 4.209 4.320 -0.002 0.000 0.214 796 A C 2.191 179.805 177.584 0.050 0.000 1.183 796 A CA 1.057 53.146 52.037 0.086 0.000 0.622 796 A CB -0.452 18.588 19.000 0.067 0.000 0.824 796 A HN 0.300 nan 8.150 nan 0.000 0.444 797 K N -0.354 120.059 120.400 0.021 0.000 2.211 797 K HA 0.072 4.391 4.320 -0.002 0.000 0.203 797 K C 1.724 178.345 176.600 0.036 0.000 1.050 797 K CA 0.780 57.071 56.287 0.005 0.000 0.945 797 K CB -0.253 32.233 32.500 -0.023 0.000 0.732 797 K HN 0.414 nan 8.250 nan 0.000 0.451 798 L N 0.756 122.026 121.223 0.078 0.000 1.988 798 L HA -0.181 4.158 4.340 -0.002 0.000 0.207 798 L C 2.641 179.638 176.870 0.212 0.000 1.071 798 L CA 1.748 56.707 54.840 0.199 0.000 0.744 798 L CB -0.819 41.334 42.059 0.156 0.000 0.893 798 L HN 0.332 nan 8.230 nan 0.000 0.433 799 T N -1.998 112.637 114.554 0.133 0.000 2.849 799 T HA -0.197 4.152 4.350 -0.002 0.000 0.270 799 T C 1.776 176.513 174.700 0.061 0.000 1.066 799 T CA 1.113 63.275 62.100 0.103 0.000 1.130 799 T CB -0.509 68.404 68.868 0.074 0.000 0.864 799 T HN 0.218 nan 8.240 nan 0.000 0.481 800 L N 0.504 121.745 121.223 0.030 0.000 2.072 800 L HA 0.137 4.476 4.340 -0.002 0.000 0.205 800 L C 3.312 180.135 176.870 -0.079 0.000 1.079 800 L CA 1.149 55.978 54.840 -0.018 0.000 0.752 800 L CB -0.728 41.317 42.059 -0.024 0.000 0.906 800 L HN 0.369 nan 8.230 nan 0.000 0.436 801 A N -0.206 122.530 122.820 -0.140 0.000 1.897 801 A HA -0.093 4.226 4.320 -0.002 0.000 0.215 801 A C 1.312 178.556 177.584 -0.566 0.000 1.181 801 A CA 1.224 53.005 52.037 -0.425 0.000 0.620 801 A CB -0.435 18.179 19.000 -0.644 0.000 0.821 801 A HN 0.373 nan 8.150 nan 0.000 0.443 802 F N 1.155 121.091 119.950 -0.022 0.000 2.923 802 F HA 0.226 4.752 4.527 -0.002 0.000 0.314 802 F C 0.845 176.632 175.800 -0.022 0.000 1.196 802 F CA -0.325 57.659 58.000 -0.026 0.000 1.320 802 F CB 0.100 39.079 39.000 -0.034 0.000 0.953 802 F HN 0.059 nan 8.300 nan 0.000 0.505 803 S N 0.689 116.431 115.700 0.069 0.000 2.549 803 S HA 0.617 5.086 4.470 -0.002 0.000 0.279 803 S C 0.262 174.884 174.600 0.037 0.000 1.321 803 S CA -0.480 57.748 58.200 0.047 0.000 1.054 803 S CB 1.715 64.925 63.200 0.015 0.000 0.899 803 S HN 0.323 nan 8.310 nan 0.000 0.497 804 A N 3.079 125.920 122.820 0.035 0.000 2.938 804 A HA 0.455 4.774 4.320 -0.002 0.000 0.344 804 A C 0.015 177.608 177.584 0.014 0.000 1.142 804 A CA -0.729 51.322 52.037 0.024 0.000 0.841 804 A CB 0.073 19.089 19.000 0.027 0.000 1.083 804 A HN 0.851 nan 8.150 nan 0.000 0.479 805 Q N 0.223 120.028 119.800 0.009 0.000 2.306 805 Q HA 0.571 4.910 4.340 -0.002 0.000 0.269 805 Q C 0.595 176.597 176.000 0.003 0.000 1.053 805 Q CA -0.704 55.103 55.803 0.006 0.000 0.879 805 Q CB 1.616 30.357 28.738 0.005 0.000 1.344 805 Q HN 0.705 nan 8.270 nan 0.000 0.464 829 V N 1.650 121.560 119.914 -0.007 0.000 3.825 829 V HA -0.170 3.949 4.120 -0.002 0.000 0.521 829 V C -0.602 175.483 176.094 -0.015 0.000 0.682 829 V CA 1.192 63.486 62.300 -0.010 0.000 2.054 829 V CB -1.897 29.922 31.823 -0.008 0.000 2.452 829 V HN 0.806 nan 8.190 nan 0.000 0.514 830 K N 0.981 121.369 120.400 -0.020 0.000 7.045 830 K HA -0.047 4.272 4.320 -0.002 0.000 0.677 830 K C -0.370 176.216 176.600 -0.023 0.000 2.569 830 K CA 0.724 56.994 56.287 -0.028 0.000 1.902 830 K CB -0.247 32.233 32.500 -0.035 0.000 2.333 830 K HN 1.220 nan 8.250 nan 0.000 0.297 831 E N 1.027 121.212 120.200 -0.026 0.000 2.343 831 E HA 0.368 4.717 4.350 -0.002 0.000 0.278 831 E C -1.450 175.136 176.600 -0.022 0.000 0.910 831 E CA -0.851 55.536 56.400 -0.020 0.000 0.757 831 E CB 1.193 30.884 29.700 -0.016 0.000 1.218 831 E HN 0.291 nan 8.360 nan 0.000 0.435 832 L N 3.777 124.989 121.223 -0.017 0.000 2.349 832 L HA 0.301 4.640 4.340 -0.002 0.000 0.275 832 L C 0.988 177.850 176.870 -0.013 0.000 1.115 832 L CA 0.623 55.453 54.840 -0.016 0.000 0.820 832 L CB 0.889 42.941 42.059 -0.012 0.000 1.135 832 L HN 0.637 nan 8.230 nan 0.000 0.445 833 K N 1.536 121.929 120.400 -0.013 0.000 2.462 833 K HA 0.206 4.525 4.320 -0.002 0.000 0.201 833 K C 0.987 177.583 176.600 -0.007 0.000 1.268 833 K CA 0.244 56.525 56.287 -0.010 0.000 0.933 833 K CB 0.733 33.227 32.500 -0.011 0.000 1.162 833 K HN 0.422 nan 8.250 nan 0.000 0.527 834 V N 1.177 121.087 119.914 -0.006 0.000 2.854 834 V HA 0.150 4.269 4.120 -0.002 0.000 0.236 834 V C 0.749 176.842 176.094 -0.002 0.000 1.157 834 V CA 0.025 62.323 62.300 -0.004 0.000 1.187 834 V CB 0.250 32.072 31.823 -0.002 0.000 0.949 834 V HN 0.079 nan 8.190 nan 0.000 0.488 835 L N 3.008 124.231 121.223 -0.001 0.000 2.416 835 L HA 0.213 4.552 4.340 -0.002 0.000 0.272 835 L C 0.141 177.009 176.870 -0.003 0.000 1.161 835 L CA -0.359 54.481 54.840 0.001 0.000 0.845 835 L CB 0.289 42.351 42.059 0.005 0.000 1.119 835 L HN 0.457 nan 8.230 nan 0.000 0.464 836 D N 0.902 121.300 120.400 -0.004 0.000 2.382 836 D HA -0.051 4.588 4.640 -0.002 0.000 0.240 836 D C 0.981 177.278 176.300 -0.005 0.000 1.146 836 D CA -0.267 53.730 54.000 -0.005 0.000 0.897 836 D CB 1.010 41.806 40.800 -0.006 0.000 1.197 836 D HN 0.553 nan 8.370 nan 0.000 0.432 837 S N 0.220 115.917 115.700 -0.005 0.000 2.595 837 S HA -0.133 4.336 4.470 -0.002 0.000 0.235 837 S C 1.266 175.863 174.600 -0.006 0.000 0.974 837 S CA 0.385 58.581 58.200 -0.005 0.000 0.942 837 S CB -0.279 62.919 63.200 -0.005 0.000 0.766 837 S HN 0.474 nan 8.310 nan 0.000 0.536 838 K N 1.312 121.708 120.400 -0.008 0.000 1.974 838 K HA -0.020 4.299 4.320 -0.002 0.000 0.211 838 K C 2.268 178.859 176.600 -0.014 0.000 1.039 838 K CA 1.811 58.092 56.287 -0.010 0.000 0.947 838 K CB -0.689 31.804 32.500 -0.011 0.000 0.735 838 K HN 0.421 nan 8.250 nan 0.000 0.441 839 T N 1.067 115.612 114.554 -0.016 0.000 2.867 839 T HA -0.062 4.287 4.350 -0.002 0.000 0.268 839 T C 1.941 176.630 174.700 -0.018 0.000 1.057 839 T CA 1.081 63.168 62.100 -0.022 0.000 1.136 839 T CB -0.173 68.684 68.868 -0.018 0.000 0.874 839 T HN 0.275 nan 8.240 nan 0.000 0.466 840 A N 1.198 124.012 122.820 -0.009 0.000 2.015 840 A HA -0.090 4.229 4.320 -0.002 0.000 0.219 840 A C 2.292 179.872 177.584 -0.007 0.000 1.163 840 A CA 1.368 53.401 52.037 -0.006 0.000 0.646 840 A CB -0.574 18.423 19.000 -0.004 0.000 0.806 840 A HN 0.527 nan 8.150 nan 0.000 0.448 841 Q N -0.501 119.295 119.800 -0.007 0.000 2.137 841 Q HA -0.146 4.193 4.340 -0.002 0.000 0.198 841 Q C 1.560 177.559 176.000 -0.000 0.000 0.960 841 Q CA 1.425 57.227 55.803 -0.003 0.000 0.847 841 Q CB -0.090 28.646 28.738 -0.003 0.000 0.915 841 Q HN 0.652 nan 8.270 nan 0.000 0.448 842 N N 0.362 119.056 118.700 -0.009 0.000 2.244 842 N HA -0.089 4.650 4.740 -0.002 0.000 0.183 842 N C 1.593 177.105 175.510 0.003 0.000 1.016 842 N CA 0.780 53.824 53.050 -0.010 0.000 0.866 842 N CB -0.052 38.413 38.487 -0.038 0.000 0.980 842 N HN 0.199 nan 8.380 nan 0.000 0.430 843 L N -0.154 121.058 121.223 -0.018 0.000 2.093 843 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 843 L C 2.029 178.906 176.870 0.012 0.000 1.085 843 L CA 0.818 55.645 54.840 -0.023 0.000 0.755 843 L CB -0.222 41.789 42.059 -0.080 0.000 0.904 843 L HN 0.122 nan 8.230 nan 0.000 0.435 844 S N -0.181 115.525 115.700 0.009 0.000 2.382 844 S HA -0.127 4.342 4.470 -0.002 0.000 0.228 844 S C 1.886 176.498 174.600 0.020 0.000 1.027 844 S CA 1.022 59.230 58.200 0.014 0.000 0.991 844 S CB -0.103 63.103 63.200 0.010 0.000 0.823 844 S HN 0.244 nan 8.310 nan 0.000 0.469 845 I N 0.491 121.083 120.570 0.037 0.000 2.286 845 I HA -0.068 4.101 4.170 -0.002 0.000 0.245 845 I C 2.068 178.226 176.117 0.068 0.000 1.104 845 I CA 1.097 62.425 61.300 0.046 0.000 1.397 845 I CB -1.305 36.726 38.000 0.051 0.000 1.072 845 I HN 0.265 nan 8.210 nan 0.000 0.417 846 F N 2.090 121.998 119.950 -0.070 0.000 2.102 846 F HA -0.174 4.352 4.527 -0.002 0.000 0.298 846 F C 2.293 178.049 175.800 -0.074 0.000 1.105 846 F CA 1.656 59.599 58.000 -0.094 0.000 1.239 846 F CB -0.461 38.428 39.000 -0.185 0.000 0.991 846 F HN -0.095 nan 8.300 nan 0.000 0.474 847 L N -0.173 120.888 121.223 -0.270 0.000 2.217 847 L HA -0.027 4.312 4.340 -0.002 0.000 0.211 847 L C 2.640 179.430 176.870 -0.134 0.000 1.107 847 L CA 1.015 55.683 54.840 -0.286 0.000 0.783 847 L CB -1.276 40.733 42.059 -0.084 0.000 0.919 847 L HN 0.322 nan 8.230 nan 0.000 0.442 848 G N -1.683 107.073 108.800 -0.074 0.000 2.625 848 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.214 848 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.214 848 G C 1.692 176.567 174.900 -0.042 0.000 1.132 848 G CA 0.991 46.069 45.100 -0.037 0.000 0.782 848 G HN 0.330 nan 8.290 nan 0.000 0.538 849 S N -1.573 114.089 115.700 -0.063 0.000 2.514 849 S HA 0.209 4.678 4.470 -0.002 0.000 0.223 849 S C 1.644 176.217 174.600 -0.046 0.000 1.046 849 S CA -0.328 57.848 58.200 -0.040 0.000 0.914 849 S CB -0.112 63.084 63.200 -0.007 0.000 0.807 849 S HN 0.213 nan 8.310 nan 0.000 0.497 850 F N 2.797 122.561 119.950 -0.309 0.000 2.163 850 F HA 0.219 4.745 4.527 -0.002 0.000 0.297 850 F C 1.743 177.422 175.800 -0.202 0.000 1.094 850 F CA 1.365 59.179 58.000 -0.311 0.000 1.290 850 F CB 0.175 38.858 39.000 -0.529 0.000 1.017 850 F HN 0.062 nan 8.300 nan 0.000 0.483 851 R N -1.306 119.162 120.500 -0.053 0.000 3.862 851 R HA -0.272 4.067 4.340 -0.002 0.000 0.470 851 R C 0.449 176.680 176.300 -0.114 0.000 0.879 851 R CA 1.236 57.279 56.100 -0.096 0.000 1.508 851 R CB -2.680 27.556 30.300 -0.107 0.000 2.170 851 R HN 0.381 nan 8.270 nan 0.000 0.496 852 M N 2.831 122.377 119.600 -0.089 0.000 2.228 852 M HA 0.179 4.658 4.480 -0.002 0.000 0.351 852 M C -1.770 174.450 176.300 -0.133 0.000 1.233 852 M CA -1.302 53.954 55.300 -0.073 0.000 1.129 852 M CB 0.741 33.334 32.600 -0.012 0.000 1.604 852 M HN -0.229 nan 8.290 nan 0.000 0.457 853 P HA -0.028 nan 4.420 nan 0.000 0.268 853 P C -0.711 176.503 177.300 -0.144 0.000 1.208 853 P CA 0.277 63.244 63.100 -0.221 0.000 0.777 853 P CB 0.265 31.928 31.700 -0.062 0.000 0.875 854 Y N -0.495 119.899 120.300 0.157 0.000 2.314 854 Y HA -0.119 4.430 4.550 -0.002 0.000 0.293 854 Y C 2.358 178.300 175.900 0.070 0.000 1.129 854 Y CA 1.067 59.258 58.100 0.152 0.000 1.201 854 Y CB -0.604 37.967 38.460 0.185 0.000 0.999 854 Y HN 0.314 nan 8.280 nan 0.000 0.541 855 Q N 0.359 120.270 119.800 0.186 0.000 2.172 855 Q HA -0.167 4.172 4.340 -0.002 0.000 0.200 855 Q C 2.070 178.109 176.000 0.066 0.000 0.964 855 Q CA 1.069 56.927 55.803 0.092 0.000 0.855 855 Q CB -0.109 28.666 28.738 0.060 0.000 0.918 855 Q HN 0.633 nan 8.270 nan 0.000 0.444 856 E N 0.401 120.640 120.200 0.065 0.000 2.072 856 E HA -0.111 4.238 4.350 -0.002 0.000 0.190 856 E C 2.007 178.652 176.600 0.075 0.000 0.982 856 E CA 0.473 56.905 56.400 0.052 0.000 0.803 856 E CB 0.038 29.757 29.700 0.032 0.000 0.755 856 E HN 0.279 nan 8.360 nan 0.000 0.453 857 I N 1.130 121.767 120.570 0.112 0.000 2.226 857 I HA -0.272 3.897 4.170 -0.002 0.000 0.245 857 I C 2.687 178.866 176.117 0.104 0.000 1.100 857 I CA 1.073 62.466 61.300 0.155 0.000 1.374 857 I CB -0.278 37.869 38.000 0.245 0.000 1.057 857 I HN 0.067 nan 8.210 nan 0.000 0.413 858 K N 1.298 121.738 120.400 0.068 0.000 2.097 858 K HA -0.193 4.126 4.320 -0.002 0.000 0.206 858 K C 1.706 178.330 176.600 0.041 0.000 1.049 858 K CA 1.814 58.121 56.287 0.033 0.000 0.933 858 K CB -0.144 32.361 32.500 0.008 0.000 0.717 858 K HN 0.461 nan 8.250 nan 0.000 0.442 859 N N -0.325 118.402 118.700 0.045 0.000 2.216 859 N HA -0.113 4.626 4.740 -0.002 0.000 0.183 859 N C 1.626 177.165 175.510 0.049 0.000 1.017 859 N CA 0.823 53.898 53.050 0.041 0.000 0.861 859 N CB 0.178 38.685 38.487 0.034 0.000 0.986 859 N HN -0.057 nan 8.380 nan 0.000 0.428 860 V N 1.511 121.462 119.914 0.060 0.000 2.515 860 V HA -0.139 3.980 4.120 -0.002 0.000 0.250 860 V C 2.007 178.144 176.094 0.071 0.000 1.058 860 V CA 1.027 63.365 62.300 0.064 0.000 1.064 860 V CB -0.343 31.528 31.823 0.080 0.000 0.675 860 V HN 0.319 nan 8.190 nan 0.000 0.461 861 I N -0.348 120.270 120.570 0.079 0.000 2.277 861 I HA -0.116 4.053 4.170 -0.002 0.000 0.243 861 I C 2.297 178.469 176.117 0.091 0.000 1.094 861 I CA 1.580 62.931 61.300 0.085 0.000 1.393 861 I CB -0.972 37.075 38.000 0.078 0.000 1.078 861 I HN 0.264 nan 8.210 nan 0.000 0.417 862 L N 0.342 121.612 121.223 0.078 0.000 2.093 862 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 862 L C 2.332 179.256 176.870 0.090 0.000 1.085 862 L CA 1.288 56.182 54.840 0.090 0.000 0.755 862 L CB -0.442 41.656 42.059 0.065 0.000 0.904 862 L HN 0.243 nan 8.230 nan 0.000 0.435 863 E N -0.661 119.577 120.200 0.063 0.000 2.285 863 E HA -0.014 4.335 4.350 -0.002 0.000 0.194 863 E C 0.263 176.882 176.600 0.032 0.000 0.997 863 E CA 0.190 56.616 56.400 0.044 0.000 0.845 863 E CB 0.460 30.180 29.700 0.032 0.000 0.782 863 E HN 0.128 nan 8.360 nan 0.000 0.491 864 V N 2.586 122.524 119.914 0.041 0.000 5.998 864 V HA -0.214 3.905 4.120 -0.002 0.000 0.253 864 V C -0.388 175.708 176.094 0.004 0.000 0.630 864 V CA 0.355 62.665 62.300 0.017 0.000 0.750 864 V CB -1.667 30.142 31.823 -0.024 0.000 0.744 864 V HN 0.405 nan 8.190 nan 0.000 0.481 865 N N 1.690 120.401 118.700 0.018 0.000 2.439 865 N HA 0.230 4.969 4.740 -0.002 0.000 0.243 865 N C 1.027 176.543 175.510 0.010 0.000 1.088 865 N CA -0.117 52.941 53.050 0.014 0.000 0.940 865 N CB 1.482 39.982 38.487 0.021 0.000 1.180 865 N HN 0.656 nan 8.380 nan 0.000 0.505 866 E N 2.207 122.408 120.200 0.000 0.000 2.204 866 E HA -0.074 4.275 4.350 -0.002 0.000 0.195 866 E C 1.638 178.241 176.600 0.004 0.000 0.990 866 E CA 0.974 57.374 56.400 0.000 0.000 0.821 866 E CB 0.140 29.838 29.700 -0.004 0.000 0.750 866 E HN 0.699 nan 8.360 nan 0.000 0.477 867 A N -0.149 122.674 122.820 0.003 0.000 1.933 867 A HA -0.136 4.183 4.320 -0.002 0.000 0.218 867 A C 2.263 179.847 177.584 -0.000 0.000 1.175 867 A CA 1.415 53.453 52.037 0.001 0.000 0.628 867 A CB -0.221 18.779 19.000 -0.001 0.000 0.814 867 A HN 0.169 nan 8.150 nan 0.000 0.444 868 V N -0.264 119.653 119.914 0.006 0.000 2.492 868 V HA 0.100 4.219 4.120 -0.002 0.000 0.241 868 V C 1.089 177.194 176.094 0.018 0.000 1.041 868 V CA 0.309 62.611 62.300 0.005 0.000 1.057 868 V CB -0.703 31.128 31.823 0.013 0.000 0.711 868 V HN 0.411 nan 8.190 nan 0.000 0.468 869 L N 1.922 123.166 121.223 0.035 0.000 2.416 869 L HA 0.356 4.695 4.340 -0.002 0.000 0.272 869 L C 0.424 177.320 176.870 0.044 0.000 1.161 869 L CA 0.391 55.264 54.840 0.056 0.000 0.845 869 L CB 0.592 42.684 42.059 0.056 0.000 1.119 869 L HN 0.418 nan 8.230 nan 0.000 0.464 870 T N -2.587 112.004 114.554 0.061 0.000 2.916 870 T HA 0.213 4.562 4.350 -0.002 0.000 0.292 870 T C 0.654 175.396 174.700 0.070 0.000 1.064 870 T CA -0.838 61.294 62.100 0.053 0.000 1.011 870 T CB 1.925 70.820 68.868 0.045 0.000 1.152 870 T HN 0.693 nan 8.240 nan 0.000 0.510 871 E N 0.621 120.856 120.200 0.058 0.000 2.086 871 E HA -0.251 4.098 4.350 -0.002 0.000 0.205 871 E C 1.973 178.623 176.600 0.082 0.000 1.027 871 E CA 1.943 58.381 56.400 0.064 0.000 0.830 871 E CB -0.320 29.413 29.700 0.055 0.000 0.751 871 E HN 0.645 nan 8.360 nan 0.000 0.456 872 S N -0.248 115.503 115.700 0.085 0.000 2.383 872 S HA -0.180 4.289 4.470 -0.002 0.000 0.229 872 S C 1.926 176.619 174.600 0.156 0.000 1.030 872 S CA 1.482 59.744 58.200 0.104 0.000 1.002 872 S CB -0.257 62.998 63.200 0.093 0.000 0.829 872 S HN 0.391 nan 8.310 nan 0.000 0.467 873 M N 0.043 119.750 119.600 0.179 0.000 2.117 873 M HA -0.088 4.391 4.480 -0.002 0.000 0.262 873 M C 1.562 178.012 176.300 0.250 0.000 1.065 873 M CA 1.626 57.098 55.300 0.286 0.000 1.114 873 M CB -0.176 32.585 32.600 0.268 0.000 1.361 873 M HN 0.333 nan 8.290 nan 0.000 0.408 874 I N 0.306 120.975 120.570 0.165 0.000 2.406 874 I HA -0.216 3.953 4.170 -0.002 0.000 0.249 874 I C 2.328 178.497 176.117 0.085 0.000 1.122 874 I CA 1.207 62.581 61.300 0.123 0.000 1.431 874 I CB -0.540 37.519 38.000 0.098 0.000 1.087 874 I HN 0.347 nan 8.210 nan 0.000 0.424 875 Q N 0.248 120.098 119.800 0.083 0.000 2.234 875 Q HA -0.213 4.126 4.340 -0.002 0.000 0.206 875 Q C 1.691 177.702 176.000 0.019 0.000 0.980 875 Q CA 1.581 57.416 55.803 0.053 0.000 0.869 875 Q CB -0.350 28.424 28.738 0.060 0.000 0.912 875 Q HN 0.633 nan 8.270 nan 0.000 0.436 876 N N -0.411 118.319 118.700 0.050 0.000 2.457 876 N HA -0.017 4.722 4.740 -0.002 0.000 0.180 876 N C 1.109 176.460 175.510 -0.264 0.000 1.050 876 N CA 0.318 53.349 53.050 -0.033 0.000 0.906 876 N CB 0.244 38.882 38.487 0.252 0.000 0.968 876 N HN 0.138 nan 8.380 nan 0.000 0.445 877 L N 0.015 121.185 121.223 -0.089 0.000 2.529 877 L HA 0.187 4.526 4.340 -0.002 0.000 0.223 877 L C 1.422 178.251 176.870 -0.069 0.000 1.113 877 L CA 0.299 55.091 54.840 -0.079 0.000 0.861 877 L CB 0.167 42.266 42.059 0.067 0.000 1.012 877 L HN 0.188 nan 8.230 nan 0.000 0.461 878 I N -0.899 119.632 120.570 -0.064 0.000 2.731 878 I HA -0.111 4.058 4.170 -0.002 0.000 0.260 878 I C 2.445 178.518 176.117 -0.074 0.000 1.138 878 I CA 0.661 61.937 61.300 -0.041 0.000 1.461 878 I CB -0.011 37.986 38.000 -0.006 0.000 1.128 878 I HN 0.111 nan 8.210 nan 0.000 0.438 879 K N 0.664 120.996 120.400 -0.115 0.000 2.076 879 K HA -0.083 4.236 4.320 -0.002 0.000 0.204 879 K C 2.065 178.560 176.600 -0.176 0.000 1.051 879 K CA 0.959 57.173 56.287 -0.121 0.000 0.949 879 K CB 0.235 32.671 32.500 -0.107 0.000 0.726 879 K HN 0.167 nan 8.250 nan 0.000 0.443 880 Q N -0.214 119.396 119.800 -0.318 0.000 2.389 880 Q HA 0.047 4.386 4.340 -0.002 0.000 0.204 880 Q C 0.601 176.450 176.000 -0.252 0.000 0.944 880 Q CA 0.375 55.935 55.803 -0.405 0.000 0.908 880 Q CB 0.261 28.441 28.738 -0.931 0.000 1.002 880 Q HN 0.295 nan 8.270 nan 0.000 0.493 881 M N 2.002 121.512 119.600 -0.150 0.000 2.238 881 M HA 0.191 4.670 4.480 -0.002 0.000 0.347 881 M C -2.083 174.219 176.300 0.003 0.000 1.173 881 M CA -1.751 53.552 55.300 0.004 0.000 1.147 881 M CB 0.176 32.803 32.600 0.044 0.000 1.547 881 M HN -0.179 nan 8.290 nan 0.000 0.455 882 P HA 0.107 nan 4.420 nan 0.000 0.271 882 P C -0.773 176.532 177.300 0.009 0.000 1.216 882 P CA -0.278 62.834 63.100 0.021 0.000 0.776 882 P CB 0.238 31.962 31.700 0.040 0.000 0.881 883 E N 4.450 124.648 120.200 -0.003 0.000 2.404 883 E HA 0.041 4.390 4.350 -0.002 0.000 0.261 883 E C -1.678 174.916 176.600 -0.011 0.000 1.074 883 E CA -1.535 54.860 56.400 -0.009 0.000 0.917 883 E CB -0.501 29.193 29.700 -0.011 0.000 0.965 883 E HN 0.250 nan 8.360 nan 0.000 0.433 884 P HA -0.293 nan 4.420 nan 0.000 0.226 884 P C 0.762 178.048 177.300 -0.023 0.000 1.154 884 P CA 1.929 65.015 63.100 -0.024 0.000 0.901 884 P CB 0.079 31.763 31.700 -0.027 0.000 0.788 885 E N -0.806 119.384 120.200 -0.018 0.000 2.077 885 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 885 E C 2.207 178.798 176.600 -0.014 0.000 0.989 885 E CA 1.017 57.407 56.400 -0.017 0.000 0.800 885 E CB -0.438 29.254 29.700 -0.014 0.000 0.746 885 E HN 0.453 nan 8.360 nan 0.000 0.452 886 Q N 0.125 119.919 119.800 -0.009 0.000 2.245 886 Q HA -0.030 4.309 4.340 -0.002 0.000 0.201 886 Q C 2.141 178.138 176.000 -0.005 0.000 0.955 886 Q CA 0.605 56.405 55.803 -0.004 0.000 0.870 886 Q CB 0.116 28.855 28.738 0.002 0.000 0.945 886 Q HN 0.288 nan 8.270 nan 0.000 0.461 887 L N 0.578 121.795 121.223 -0.010 0.000 2.217 887 L HA -0.125 4.214 4.340 -0.002 0.000 0.211 887 L C 2.450 179.305 176.870 -0.024 0.000 1.107 887 L CA 0.907 55.737 54.840 -0.017 0.000 0.783 887 L CB -0.242 41.801 42.059 -0.027 0.000 0.919 887 L HN 0.113 nan 8.230 nan 0.000 0.442 888 K N 0.495 120.881 120.400 -0.024 0.000 2.097 888 K HA -0.097 4.222 4.320 -0.002 0.000 0.205 888 K C 1.846 178.435 176.600 -0.020 0.000 1.050 888 K CA 1.198 57.470 56.287 -0.026 0.000 0.938 888 K CB 0.074 32.557 32.500 -0.027 0.000 0.718 888 K HN 0.281 nan 8.250 nan 0.000 0.442 889 M N 0.544 120.135 119.600 -0.014 0.000 2.495 889 M HA 0.063 4.542 4.480 -0.002 0.000 0.237 889 M C 1.295 177.591 176.300 -0.007 0.000 1.131 889 M CA 0.261 55.555 55.300 -0.010 0.000 1.032 889 M CB 0.499 33.093 32.600 -0.009 0.000 1.513 889 M HN 0.102 nan 8.290 nan 0.000 0.488 890 L N -1.143 120.076 121.223 -0.007 0.000 2.537 890 L HA 0.061 4.401 4.340 -0.002 0.000 0.224 890 L C 2.358 179.227 176.870 -0.002 0.000 1.065 890 L CA 0.375 55.215 54.840 -0.001 0.000 0.860 890 L CB 0.158 42.218 42.059 0.002 0.000 1.086 890 L HN 0.275 nan 8.230 nan 0.000 0.482 891 S N -1.294 114.399 115.700 -0.012 0.000 2.561 891 S HA -0.052 4.417 4.470 -0.002 0.000 0.225 891 S C 1.306 175.899 174.600 -0.013 0.000 0.977 891 S CA 0.424 58.615 58.200 -0.016 0.000 0.926 891 S CB -0.145 63.038 63.200 -0.029 0.000 0.769 891 S HN 0.419 nan 8.310 nan 0.000 0.533 892 E N -0.011 120.184 120.200 -0.009 0.000 2.474 892 E HA 0.210 4.559 4.350 -0.002 0.000 0.194 892 E C -0.439 176.161 176.600 -0.000 0.000 1.041 892 E CA 0.068 56.463 56.400 -0.007 0.000 0.874 892 E CB 0.136 29.830 29.700 -0.009 0.000 0.914 892 E HN 0.377 nan 8.360 nan 0.000 0.498 893 L N 0.874 122.101 121.223 0.006 0.000 2.959 893 L HA 0.173 4.512 4.340 -0.002 0.000 0.236 893 L C 0.925 177.815 176.870 0.033 0.000 1.296 893 L CA 0.233 55.081 54.840 0.015 0.000 1.047 893 L CB 0.455 42.521 42.059 0.011 0.000 1.395 893 L HN -0.140 nan 8.230 nan 0.000 0.492 894 K N -0.288 120.129 120.400 0.028 0.000 2.098 894 K HA -0.030 4.289 4.320 -0.002 0.000 0.203 894 K C 1.649 178.283 176.600 0.057 0.000 1.051 894 K CA 0.657 56.967 56.287 0.038 0.000 0.957 894 K CB 0.342 32.844 32.500 0.003 0.000 0.738 894 K HN 0.371 nan 8.250 nan 0.000 0.447 895 E N 1.726 121.949 120.200 0.037 0.000 2.153 895 E HA -0.176 4.173 4.350 -0.002 0.000 0.194 895 E C 0.129 176.767 176.600 0.063 0.000 0.988 895 E CA 0.927 57.351 56.400 0.039 0.000 0.811 895 E CB 0.220 29.933 29.700 0.022 0.000 0.746 895 E HN 0.342 nan 8.360 nan 0.000 0.466 896 E N -0.142 120.094 120.200 0.060 0.000 2.232 896 E HA -0.032 4.317 4.350 -0.002 0.000 0.296 896 E C 0.311 176.957 176.600 0.076 0.000 1.372 896 E CA -0.332 56.100 56.400 0.054 0.000 1.527 896 E CB 0.005 29.718 29.700 0.022 0.000 1.424 896 E HN 0.318 nan 8.360 nan 0.000 0.485 897 Y N 2.381 122.673 120.300 -0.014 0.000 2.314 897 Y HA -0.059 4.490 4.550 -0.002 0.000 0.294 897 Y C 1.332 177.223 175.900 -0.016 0.000 1.119 897 Y CA 1.377 59.465 58.100 -0.020 0.000 1.179 897 Y CB 0.436 38.885 38.460 -0.017 0.000 1.025 897 Y HN 0.193 nan 8.280 nan 0.000 0.541 898 D N -0.144 120.236 120.400 -0.033 0.000 2.317 898 D HA -0.117 4.522 4.640 -0.002 0.000 0.211 898 D C 1.000 177.231 176.300 -0.115 0.000 0.966 898 D CA 1.027 54.967 54.000 -0.100 0.000 0.876 898 D CB -0.051 40.767 40.800 0.029 0.000 0.927 898 D HN 0.508 nan 8.370 nan 0.000 0.519 899 D N 0.282 120.631 120.400 -0.084 0.000 2.305 899 D HA 0.053 4.692 4.640 -0.002 0.000 0.206 899 D C 1.184 177.434 176.300 -0.084 0.000 0.974 899 D CA 0.065 54.026 54.000 -0.064 0.000 0.871 899 D CB 0.810 41.591 40.800 -0.031 0.000 0.947 899 D HN 0.205 nan 8.370 nan 0.000 0.516 900 L N 0.848 121.996 121.223 -0.125 0.000 2.472 900 L HA 0.301 4.640 4.340 -0.002 0.000 0.260 900 L C 0.997 177.787 176.870 -0.132 0.000 1.209 900 L CA -0.679 54.090 54.840 -0.119 0.000 0.817 900 L CB 0.477 42.459 42.059 -0.128 0.000 1.106 900 L HN -0.106 nan 8.230 nan 0.000 0.479 901 A N 0.655 123.419 122.820 -0.093 0.000 2.280 901 A HA 0.138 4.457 4.320 -0.002 0.000 0.268 901 A C 1.080 178.607 177.584 -0.096 0.000 1.111 901 A CA -0.187 51.804 52.037 -0.075 0.000 0.814 901 A CB 0.182 19.156 19.000 -0.043 0.000 1.093 901 A HN 0.887 nan 8.150 nan 0.000 0.498 902 E N -0.178 119.988 120.200 -0.057 0.000 2.118 902 E HA -0.182 4.167 4.350 -0.002 0.000 0.195 902 E C 2.203 178.780 176.600 -0.039 0.000 0.992 902 E CA 1.686 58.062 56.400 -0.039 0.000 0.804 902 E CB -0.126 29.595 29.700 0.034 0.000 0.741 902 E HN 0.817 nan 8.360 nan 0.000 0.458 903 S N 0.321 116.011 115.700 -0.018 0.000 2.447 903 S HA -0.109 4.360 4.470 -0.002 0.000 0.233 903 S C 1.623 176.245 174.600 0.036 0.000 1.006 903 S CA 0.841 59.045 58.200 0.006 0.000 0.957 903 S CB -0.023 63.177 63.200 0.000 0.000 0.773 903 S HN 0.234 nan 8.310 nan 0.000 0.507 904 E N 0.632 120.824 120.200 -0.014 0.000 2.340 904 E HA 0.087 4.436 4.350 -0.002 0.000 0.198 904 E C 2.187 178.758 176.600 -0.049 0.000 0.961 904 E CA 0.096 56.488 56.400 -0.013 0.000 0.905 904 E CB -0.046 29.636 29.700 -0.031 0.000 0.884 904 E HN 0.595 nan 8.360 nan 0.000 0.491 905 Q N 0.152 119.856 119.800 -0.160 0.000 2.124 905 Q HA -0.173 4.166 4.340 -0.002 0.000 0.202 905 Q C 1.810 177.680 176.000 -0.216 0.000 0.977 905 Q CA 1.221 56.862 55.803 -0.271 0.000 0.850 905 Q CB -0.133 28.283 28.738 -0.536 0.000 0.901 905 Q HN 0.215 nan 8.270 nan 0.000 0.429 906 F N 0.624 120.331 119.950 -0.405 0.000 2.069 906 F HA -0.143 4.383 4.527 -0.002 0.000 0.298 906 F C 2.115 177.893 175.800 -0.036 0.000 1.113 906 F CA 1.910 59.796 58.000 -0.190 0.000 1.214 906 F CB -0.652 38.332 39.000 -0.026 0.000 0.978 906 F HN 0.040 nan 8.300 nan 0.000 0.474 907 G N -0.627 108.222 108.800 0.082 0.000 2.448 907 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.219 907 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.219 907 G C 1.656 176.531 174.900 -0.042 0.000 1.127 907 G CA 1.056 46.163 45.100 0.013 0.000 0.766 907 G HN 0.362 nan 8.290 nan 0.000 0.552 908 V N 0.458 120.363 119.914 -0.015 0.000 2.379 908 V HA -0.114 4.006 4.120 -0.002 0.000 0.245 908 V C 2.953 179.025 176.094 -0.037 0.000 1.044 908 V CA 1.238 63.540 62.300 0.004 0.000 1.036 908 V CB -0.085 31.791 31.823 0.088 0.000 0.664 908 V HN 0.244 nan 8.190 nan 0.000 0.453 909 V N -0.479 119.401 119.914 -0.057 0.000 2.427 909 V HA -0.217 3.902 4.120 -0.002 0.000 0.248 909 V C 2.358 178.377 176.094 -0.126 0.000 1.051 909 V CA 1.590 63.840 62.300 -0.084 0.000 1.048 909 V CB -0.544 31.250 31.823 -0.048 0.000 0.666 909 V HN 0.417 nan 8.190 nan 0.000 0.456 910 M N 0.316 119.796 119.600 -0.201 0.000 2.388 910 M HA 0.136 4.615 4.480 -0.002 0.000 0.265 910 M C 2.231 178.459 176.300 -0.121 0.000 1.088 910 M CA 1.397 56.575 55.300 -0.203 0.000 1.134 910 M CB -1.358 31.036 32.600 -0.343 0.000 1.384 910 M HN 0.419 nan 8.290 nan 0.000 0.447 911 G N 0.603 109.345 108.800 -0.096 0.000 2.559 911 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.216 911 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.216 911 G C 1.382 176.242 174.900 -0.066 0.000 1.126 911 G CA 1.350 46.409 45.100 -0.068 0.000 0.778 911 G HN 0.556 nan 8.290 nan 0.000 0.543 912 T N -1.650 112.863 114.554 -0.069 0.000 3.086 912 T HA 0.310 4.659 4.350 -0.002 0.000 0.250 912 T C 0.487 175.149 174.700 -0.065 0.000 1.074 912 T CA -0.258 61.804 62.100 -0.063 0.000 0.988 912 T CB 0.462 69.295 68.868 -0.058 0.000 0.988 912 T HN -0.082 nan 8.240 nan 0.000 0.530 913 V N 3.586 123.458 119.914 -0.070 0.000 2.385 913 V HA 0.379 4.498 4.120 -0.002 0.000 0.269 913 V C -2.419 173.619 176.094 -0.094 0.000 1.043 913 V CA -2.239 60.022 62.300 -0.065 0.000 0.906 913 V CB 0.626 32.418 31.823 -0.052 0.000 0.995 913 V HN 0.214 nan 8.190 nan 0.000 0.467 914 P HA 0.301 nan 4.420 nan 0.000 0.276 914 P C -0.050 177.065 177.300 -0.308 0.000 1.230 914 P CA -0.419 62.547 63.100 -0.223 0.000 0.776 914 P CB 0.348 31.882 31.700 -0.278 0.000 0.888 915 R N 1.536 121.864 120.500 -0.287 0.000 3.079 915 R HA -0.176 4.163 4.340 -0.002 0.000 0.254 915 R C 0.535 176.774 176.300 -0.101 0.000 0.900 915 R CA 0.161 56.110 56.100 -0.252 0.000 0.641 915 R CB -2.176 27.823 30.300 -0.502 0.000 1.307 915 R HN 0.584 nan 8.270 nan 0.000 0.477 916 L N 0.486 121.668 121.223 -0.068 0.000 2.095 916 L HA -0.082 4.258 4.340 -0.002 0.000 0.204 916 L C 2.578 179.453 176.870 0.007 0.000 1.080 916 L CA 1.488 56.313 54.840 -0.025 0.000 0.759 916 L CB -0.111 41.929 42.059 -0.033 0.000 0.914 916 L HN 0.279 nan 8.230 nan 0.000 0.439 917 R N 0.115 120.615 120.500 0.001 0.000 2.073 917 R HA -0.116 4.223 4.340 -0.002 0.000 0.234 917 R C -0.758 175.567 176.300 0.042 0.000 1.134 917 R CA 1.820 57.930 56.100 0.016 0.000 0.952 917 R CB -1.251 29.050 30.300 0.003 0.000 0.850 917 R HN 0.315 nan 8.270 nan 0.000 0.433 918 P HA -0.041 nan 4.420 nan 0.000 0.224 918 P C 0.583 177.974 177.300 0.152 0.000 1.157 918 P CA 0.887 64.050 63.100 0.106 0.000 0.799 918 P CB 0.008 31.788 31.700 0.134 0.000 0.809 919 R N -0.206 120.366 120.500 0.120 0.000 2.073 919 R HA -0.118 4.221 4.340 -0.002 0.000 0.234 919 R C 1.833 178.236 176.300 0.172 0.000 1.134 919 R CA 1.397 57.557 56.100 0.100 0.000 0.952 919 R CB -0.833 29.461 30.300 -0.009 0.000 0.850 919 R HN 0.095 nan 8.270 nan 0.000 0.433 920 L N 1.187 122.476 121.223 0.110 0.000 2.072 920 L HA -0.099 4.240 4.340 -0.002 0.000 0.205 920 L C 1.899 178.830 176.870 0.101 0.000 1.079 920 L CA 1.453 56.352 54.840 0.098 0.000 0.752 920 L CB -0.653 41.448 42.059 0.069 0.000 0.906 920 L HN 0.165 nan 8.230 nan 0.000 0.436 921 N N -0.194 118.564 118.700 0.098 0.000 2.205 921 N HA -0.162 4.577 4.740 -0.002 0.000 0.186 921 N C 1.821 177.411 175.510 0.133 0.000 1.015 921 N CA 1.418 54.526 53.050 0.097 0.000 0.862 921 N CB -0.306 38.222 38.487 0.069 0.000 0.986 921 N HN 0.383 nan 8.380 nan 0.000 0.429 922 A N 0.631 123.544 122.820 0.154 0.000 1.968 922 A HA -0.033 4.286 4.320 -0.002 0.000 0.217 922 A C 2.012 179.626 177.584 0.051 0.000 1.169 922 A CA 0.744 52.872 52.037 0.151 0.000 0.638 922 A CB -0.217 18.905 19.000 0.204 0.000 0.812 922 A HN 0.094 nan 8.150 nan 0.000 0.446 923 I N -0.641 119.967 120.570 0.062 0.000 2.286 923 I HA -0.128 4.041 4.170 -0.002 0.000 0.245 923 I C 2.379 178.493 176.117 -0.005 0.000 1.104 923 I CA 0.911 62.205 61.300 -0.010 0.000 1.397 923 I CB -1.317 36.710 38.000 0.045 0.000 1.072 923 I HN 0.348 nan 8.210 nan 0.000 0.417 924 L N 0.908 122.172 121.223 0.068 0.000 1.989 924 L HA -0.238 4.101 4.340 -0.002 0.000 0.211 924 L C 2.479 179.428 176.870 0.132 0.000 1.071 924 L CA 1.815 56.711 54.840 0.093 0.000 0.749 924 L CB -1.111 41.015 42.059 0.111 0.000 0.890 924 L HN 0.160 nan 8.230 nan 0.000 0.431 925 F N 0.502 120.462 119.950 0.018 0.000 2.236 925 F HA -0.258 4.267 4.527 -0.002 0.000 0.302 925 F C 2.402 178.242 175.800 0.067 0.000 1.073 925 F CA 2.131 60.175 58.000 0.073 0.000 1.336 925 F CB -0.342 38.707 39.000 0.082 0.000 1.040 925 F HN 0.225 nan 8.300 nan 0.000 0.507 926 K N 0.315 120.535 120.400 -0.299 0.000 2.021 926 K HA -0.049 4.270 4.320 -0.002 0.000 0.205 926 K C 1.994 178.479 176.600 -0.192 0.000 1.047 926 K CA 1.445 57.362 56.287 -0.617 0.000 0.943 926 K CB -0.376 31.613 32.500 -0.851 0.000 0.725 926 K HN 0.370 nan 8.250 nan 0.000 0.439 927 L N 0.934 122.097 121.223 -0.099 0.000 2.549 927 L HA -0.089 4.250 4.340 -0.002 0.000 0.229 927 L C 1.928 178.817 176.870 0.032 0.000 1.158 927 L CA 0.798 55.630 54.840 -0.014 0.000 0.842 927 L CB -0.070 41.989 42.059 0.001 0.000 0.952 927 L HN 0.333 nan 8.230 nan 0.000 0.452 928 Q N -1.869 117.960 119.800 0.048 0.000 2.281 928 Q HA 0.012 4.351 4.340 -0.002 0.000 0.215 928 Q C 1.666 177.716 176.000 0.083 0.000 0.867 928 Q CA -0.018 55.830 55.803 0.075 0.000 0.940 928 Q CB 0.362 29.169 28.738 0.114 0.000 1.111 928 Q HN 0.371 nan 8.270 nan 0.000 0.513 929 F N 1.721 121.620 119.950 -0.084 0.000 2.134 929 F HA -0.236 4.290 4.527 -0.001 0.000 0.299 929 F C 2.391 178.172 175.800 -0.032 0.000 1.097 929 F CA 1.891 59.828 58.000 -0.106 0.000 1.264 929 F CB -0.160 38.784 39.000 -0.094 0.000 1.001 929 F HN 0.031 nan 8.300 nan 0.000 0.479 930 S N -0.764 114.896 115.700 -0.067 0.000 2.406 930 S HA -0.149 4.320 4.470 -0.002 0.000 0.228 930 S C 1.821 176.337 174.600 -0.141 0.000 1.020 930 S CA 1.116 59.226 58.200 -0.150 0.000 0.965 930 S CB -0.722 62.471 63.200 -0.012 0.000 0.798 930 S HN 0.596 nan 8.310 nan 0.000 0.488 931 E N 1.393 121.548 120.200 -0.075 0.000 2.204 931 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 931 E C 2.223 178.785 176.600 -0.062 0.000 0.989 931 E CA 1.292 57.664 56.400 -0.048 0.000 0.824 931 E CB -0.111 29.585 29.700 -0.007 0.000 0.756 931 E HN 0.945 nan 8.360 nan 0.000 0.477 932 Q N -0.309 119.435 119.800 -0.094 0.000 2.319 932 Q HA 0.080 4.419 4.340 -0.002 0.000 0.202 932 Q C 1.625 177.538 176.000 -0.146 0.000 0.896 932 Q CA 0.190 55.948 55.803 -0.076 0.000 0.942 932 Q CB 0.543 29.280 28.738 -0.003 0.000 1.083 932 Q HN 0.026 nan 8.270 nan 0.000 0.510 933 V N 1.372 121.130 119.914 -0.260 0.000 2.649 933 V HA -0.114 4.005 4.120 -0.002 0.000 0.248 933 V C 1.551 177.560 176.094 -0.142 0.000 1.054 933 V CA 1.628 63.772 62.300 -0.260 0.000 1.073 933 V CB -0.038 31.539 31.823 -0.409 0.000 0.699 933 V HN 0.377 nan 8.190 nan 0.000 0.463 934 E N -0.008 120.123 120.200 -0.115 0.000 2.502 934 E HA -0.049 4.300 4.350 -0.002 0.000 0.194 934 E C 1.393 177.965 176.600 -0.048 0.000 1.062 934 E CA 0.386 56.745 56.400 -0.069 0.000 0.867 934 E CB -0.060 29.607 29.700 -0.055 0.000 0.888 934 E HN 0.675 nan 8.360 nan 0.000 0.510 935 N N -0.511 118.161 118.700 -0.048 0.000 2.356 935 N HA 0.065 4.804 4.740 -0.002 0.000 0.178 935 N C 1.084 176.581 175.510 -0.023 0.000 1.075 935 N CA 0.159 53.192 53.050 -0.027 0.000 0.889 935 N CB 0.484 38.961 38.487 -0.017 0.000 0.999 935 N HN 0.004 nan 8.380 nan 0.000 0.464 936 I N 0.239 120.788 120.570 -0.034 0.000 3.194 936 I HA 0.017 4.186 4.170 -0.002 0.000 0.271 936 I C 2.013 178.115 176.117 -0.025 0.000 1.150 936 I CA 0.535 61.820 61.300 -0.024 0.000 1.440 936 I CB -0.013 37.971 38.000 -0.026 0.000 1.276 936 I HN -0.113 nan 8.210 nan 0.000 0.457 937 K N 1.145 121.520 120.400 -0.041 0.000 2.020 937 K HA -0.179 4.140 4.320 -0.002 0.000 0.212 937 K C -0.680 175.900 176.600 -0.033 0.000 1.050 937 K CA 2.032 58.295 56.287 -0.040 0.000 0.929 937 K CB -1.026 31.444 32.500 -0.051 0.000 0.714 937 K HN 0.176 nan 8.250 nan 0.000 0.443 938 P HA -0.126 nan 4.420 nan 0.000 0.217 938 P C 0.473 177.757 177.300 -0.027 0.000 1.150 938 P CA 1.333 64.418 63.100 -0.025 0.000 0.832 938 P CB -0.004 31.686 31.700 -0.017 0.000 0.787 939 E N -0.796 119.392 120.200 -0.020 0.000 2.274 939 E HA -0.080 4.269 4.350 -0.002 0.000 0.194 939 E C 1.937 178.525 176.600 -0.020 0.000 0.996 939 E CA 0.669 57.058 56.400 -0.019 0.000 0.840 939 E CB -0.441 29.254 29.700 -0.007 0.000 0.772 939 E HN 0.320 nan 8.360 nan 0.000 0.491 940 I N 0.598 121.160 120.570 -0.012 0.000 2.193 940 I HA -0.231 3.938 4.170 -0.002 0.000 0.240 940 I C 2.401 178.487 176.117 -0.053 0.000 1.084 940 I CA 0.692 61.986 61.300 -0.010 0.000 1.365 940 I CB -0.351 37.656 38.000 0.011 0.000 1.064 940 I HN -0.071 nan 8.210 nan 0.000 0.410 941 V N 0.677 120.550 119.914 -0.068 0.000 2.282 941 V HA -0.333 3.786 4.120 -0.002 0.000 0.249 941 V C 2.589 178.571 176.094 -0.186 0.000 1.057 941 V CA 2.400 64.629 62.300 -0.118 0.000 1.032 941 V CB -0.920 30.840 31.823 -0.106 0.000 0.645 941 V HN 0.409 nan 8.190 nan 0.000 0.447 942 S N 0.033 115.652 115.700 -0.135 0.000 2.359 942 S HA -0.214 4.255 4.470 -0.002 0.000 0.223 942 S C 1.968 176.456 174.600 -0.187 0.000 1.039 942 S CA 1.851 59.977 58.200 -0.123 0.000 1.042 942 S CB -0.465 62.708 63.200 -0.045 0.000 0.915 942 S HN 0.414 nan 8.310 nan 0.000 0.439 943 V N 1.761 121.580 119.914 -0.159 0.000 2.379 943 V HA -0.145 3.974 4.120 -0.002 0.000 0.245 943 V C 2.524 178.533 176.094 -0.141 0.000 1.044 943 V CA 2.005 64.194 62.300 -0.186 0.000 1.036 943 V CB -1.513 30.261 31.823 -0.083 0.000 0.664 943 V HN 0.520 nan 8.190 nan 0.000 0.453 944 T N 0.857 115.348 114.554 -0.104 0.000 2.720 944 T HA -0.223 4.126 4.350 -0.002 0.000 0.268 944 T C 2.089 176.733 174.700 -0.094 0.000 1.037 944 T CA 1.808 63.866 62.100 -0.070 0.000 1.144 944 T CB -0.482 68.340 68.868 -0.077 0.000 0.864 944 T HN 0.573 nan 8.240 nan 0.000 0.444 945 A N 1.542 124.242 122.820 -0.201 0.000 1.877 945 A HA 0.192 4.511 4.320 -0.002 0.000 0.216 945 A C 2.681 180.202 177.584 -0.106 0.000 1.186 945 A CA 1.807 53.703 52.037 -0.236 0.000 0.620 945 A CB -1.181 17.430 19.000 -0.648 0.000 0.822 945 A HN 0.521 nan 8.150 nan 0.000 0.443 946 A N -1.251 121.470 122.820 -0.166 0.000 2.019 946 A HA -0.136 4.183 4.320 -0.002 0.000 0.219 946 A C 2.197 179.825 177.584 0.073 0.000 1.164 946 A CA 1.600 53.526 52.037 -0.184 0.000 0.644 946 A CB -1.150 17.424 19.000 -0.710 0.000 0.805 946 A HN 0.601 nan 8.150 nan 0.000 0.449 947 C N -0.695 118.698 119.300 0.156 0.000 2.446 947 C HA -0.022 4.437 4.460 -0.002 0.000 0.279 947 C C 2.555 177.692 174.990 0.245 0.000 1.366 947 C CA 1.042 60.287 59.018 0.377 0.000 1.763 947 C CB -1.043 26.890 27.740 0.321 0.000 1.929 947 C HN 0.666 nan 8.230 nan 0.000 0.509 948 E N 0.544 120.824 120.200 0.134 0.000 2.102 948 E HA -0.108 4.241 4.350 -0.002 0.000 0.190 948 E C 2.010 178.680 176.600 0.117 0.000 0.971 948 E CA 0.618 57.077 56.400 0.097 0.000 0.821 948 E CB -0.147 29.578 29.700 0.041 0.000 0.777 948 E HN 0.640 nan 8.360 nan 0.000 0.460 949 E N 1.097 121.365 120.200 0.113 0.000 2.118 949 E HA -0.167 4.183 4.350 -0.002 0.000 0.195 949 E C 2.107 178.806 176.600 0.165 0.000 0.992 949 E CA 0.632 57.106 56.400 0.123 0.000 0.804 949 E CB 0.027 29.791 29.700 0.106 0.000 0.741 949 E HN 0.149 nan 8.360 nan 0.000 0.458 950 L N 0.802 122.151 121.223 0.209 0.000 2.156 950 L HA -0.093 4.246 4.340 -0.002 0.000 0.208 950 L C 2.425 179.521 176.870 0.377 0.000 1.095 950 L CA 1.339 56.316 54.840 0.228 0.000 0.770 950 L CB -0.182 42.043 42.059 0.276 0.000 0.914 950 L HN 0.026 nan 8.230 nan 0.000 0.439 951 R N 0.598 121.307 120.500 0.348 0.000 2.073 951 R HA -0.127 4.212 4.340 -0.002 0.000 0.229 951 R C 2.138 178.561 176.300 0.204 0.000 1.120 951 R CA 1.540 57.821 56.100 0.302 0.000 0.967 951 R CB -0.140 30.230 30.300 0.118 0.000 0.862 951 R HN 0.191 nan 8.270 nan 0.000 0.436 952 K N -0.077 120.418 120.400 0.159 0.000 2.432 952 K HA 0.066 4.385 4.320 -0.002 0.000 0.196 952 K C 0.225 176.926 176.600 0.168 0.000 1.038 952 K CA 0.507 56.868 56.287 0.124 0.000 0.986 952 K CB 0.173 32.727 32.500 0.090 0.000 0.782 952 K HN 0.003 nan 8.250 nan 0.000 0.485 953 S N 2.342 118.183 115.700 0.235 0.000 2.423 953 S HA -0.007 4.462 4.470 -0.002 0.000 0.302 953 S C 1.022 175.798 174.600 0.292 0.000 1.143 953 S CA -0.506 57.853 58.200 0.265 0.000 1.080 953 S CB 0.287 63.676 63.200 0.315 0.000 1.081 953 S HN 0.247 nan 8.310 nan 0.000 0.522 954 E N 4.289 124.614 120.200 0.208 0.000 2.478 954 E HA -0.030 4.319 4.350 -0.002 0.000 0.194 954 E C 0.580 177.265 176.600 0.140 0.000 1.045 954 E CA 0.262 56.763 56.400 0.168 0.000 0.868 954 E CB -0.210 29.563 29.700 0.120 0.000 0.885 954 E HN 0.525 nan 8.360 nan 0.000 0.505 955 N N 0.856 119.661 118.700 0.175 0.000 2.207 955 N HA -0.052 4.687 4.740 -0.002 0.000 0.182 955 N C 1.353 176.934 175.510 0.119 0.000 1.020 955 N CA 0.732 53.879 53.050 0.162 0.000 0.858 955 N CB -0.585 38.032 38.487 0.218 0.000 0.991 955 N HN 0.186 nan 8.380 nan 0.000 0.427 956 F N 1.518 121.480 119.950 0.020 0.000 2.171 956 F HA -0.101 4.424 4.527 -0.003 0.000 0.300 956 F C 2.557 178.315 175.800 -0.071 0.000 1.090 956 F CA 1.216 59.105 58.000 -0.184 0.000 1.293 956 F CB -0.605 38.358 39.000 -0.060 0.000 1.013 956 F HN -0.017 nan 8.300 nan 0.000 0.486 957 S N -0.716 115.000 115.700 0.028 0.000 2.370 957 S HA -0.209 4.261 4.470 -0.002 0.000 0.226 957 S C 2.277 176.803 174.600 -0.124 0.000 1.033 957 S CA 1.886 60.073 58.200 -0.022 0.000 1.011 957 S CB -0.777 62.502 63.200 0.132 0.000 0.852 957 S HN 0.462 nan 8.310 nan 0.000 0.457 958 S N 1.199 116.850 115.700 -0.083 0.000 2.382 958 S HA 0.054 4.523 4.470 -0.002 0.000 0.228 958 S C 1.728 176.238 174.600 -0.151 0.000 1.027 958 S CA 1.126 59.268 58.200 -0.096 0.000 0.991 958 S CB -0.539 62.632 63.200 -0.047 0.000 0.823 958 S HN 0.534 nan 8.310 nan 0.000 0.469 959 L N 1.101 122.190 121.223 -0.224 0.000 2.046 959 L HA -0.081 4.258 4.340 -0.002 0.000 0.208 959 L C 1.899 178.661 176.870 -0.179 0.000 1.077 959 L CA 1.293 56.004 54.840 -0.215 0.000 0.747 959 L CB -0.268 41.551 42.059 -0.400 0.000 0.896 959 L HN 0.340 nan 8.230 nan 0.000 0.432 960 L N -0.867 120.167 121.223 -0.315 0.000 2.201 960 L HA -0.178 4.162 4.340 -0.002 0.000 0.212 960 L C 2.410 179.190 176.870 -0.151 0.000 1.105 960 L CA 0.885 55.581 54.840 -0.240 0.000 0.775 960 L CB -0.429 41.392 42.059 -0.397 0.000 0.913 960 L HN 0.304 nan 8.230 nan 0.000 0.440 961 E N 0.121 120.240 120.200 -0.135 0.000 2.046 961 E HA -0.227 4.122 4.350 -0.002 0.000 0.190 961 E C 2.139 178.714 176.600 -0.041 0.000 0.982 961 E CA 0.940 57.286 56.400 -0.091 0.000 0.800 961 E CB -0.115 29.531 29.700 -0.091 0.000 0.756 961 E HN 0.239 nan 8.360 nan 0.000 0.449 962 L N 1.222 122.419 121.223 -0.043 0.000 2.046 962 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 962 L C 2.246 179.165 176.870 0.082 0.000 1.077 962 L CA 1.814 56.654 54.840 0.001 0.000 0.747 962 L CB -0.628 41.420 42.059 -0.019 0.000 0.896 962 L HN 0.072 nan 8.230 nan 0.000 0.432 963 T N -0.261 114.368 114.554 0.124 0.000 2.622 963 T HA -0.225 4.124 4.350 -0.002 0.000 0.266 963 T C 1.787 176.620 174.700 0.222 0.000 1.047 963 T CA 1.668 63.891 62.100 0.206 0.000 1.159 963 T CB -0.611 68.452 68.868 0.325 0.000 0.863 963 T HN 0.266 nan 8.240 nan 0.000 0.422 964 L N 1.020 122.399 121.223 0.261 0.000 2.013 964 L HA -0.059 4.280 4.340 -0.002 0.000 0.212 964 L C 2.284 179.206 176.870 0.087 0.000 1.073 964 L CA 1.577 56.530 54.840 0.188 0.000 0.753 964 L CB -1.171 40.909 42.059 0.035 0.000 0.890 964 L HN 0.211 nan 8.230 nan 0.000 0.432 965 L N -1.327 119.929 121.223 0.055 0.000 1.970 965 L HA -0.222 4.117 4.340 -0.002 0.000 0.212 965 L C 2.433 179.342 176.870 0.066 0.000 1.071 965 L CA 1.983 56.848 54.840 0.041 0.000 0.751 965 L CB -0.612 41.463 42.059 0.026 0.000 0.889 965 L HN 0.119 nan 8.230 nan 0.000 0.432 966 V N -0.075 119.884 119.914 0.076 0.000 2.392 966 V HA -0.245 3.874 4.120 -0.002 0.000 0.249 966 V C 2.499 178.634 176.094 0.070 0.000 1.059 966 V CA 1.788 64.128 62.300 0.067 0.000 1.051 966 V CB -1.442 30.430 31.823 0.082 0.000 0.658 966 V HN 0.688 nan 8.190 nan 0.000 0.455 967 G N -0.024 108.818 108.800 0.070 0.000 2.453 967 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.215 967 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.215 967 G C 1.412 176.331 174.900 0.032 0.000 1.201 967 G CA 0.895 46.018 45.100 0.038 0.000 0.784 967 G HN 0.499 nan 8.290 nan 0.000 0.545 968 N N -0.365 118.356 118.700 0.037 0.000 2.192 968 N HA -0.148 4.591 4.740 -0.002 0.000 0.188 968 N C 1.758 177.281 175.510 0.022 0.000 1.013 968 N CA 1.036 54.087 53.050 0.002 0.000 0.863 968 N CB -0.445 38.026 38.487 -0.027 0.000 0.990 968 N HN 0.491 nan 8.380 nan 0.000 0.430 969 Y N 0.863 121.135 120.300 -0.047 0.000 2.200 969 Y HA -0.040 4.509 4.550 -0.002 0.000 0.290 969 Y C 2.250 178.119 175.900 -0.051 0.000 1.137 969 Y CA 1.454 59.527 58.100 -0.045 0.000 1.163 969 Y CB -0.095 38.343 38.460 -0.037 0.000 0.988 969 Y HN 0.009 nan 8.280 nan 0.000 0.518 970 M N -0.323 119.314 119.600 0.061 0.000 2.254 970 M HA -0.175 4.304 4.480 -0.002 0.000 0.265 970 M C 1.258 177.513 176.300 -0.076 0.000 1.066 970 M CA 1.111 56.402 55.300 -0.015 0.000 1.123 970 M CB -0.221 32.382 32.600 0.006 0.000 1.388 970 M HN 0.146 nan 8.290 nan 0.000 0.425 971 N N 0.620 119.277 118.700 -0.072 0.000 2.571 971 N HA 0.085 4.824 4.740 -0.002 0.000 0.189 971 N C 1.195 176.642 175.510 -0.105 0.000 1.154 971 N CA 0.869 53.870 53.050 -0.080 0.000 0.907 971 N CB -0.083 38.361 38.487 -0.072 0.000 0.977 971 N HN 0.374 nan 8.380 nan 0.000 0.449 972 A N 0.387 123.113 122.820 -0.157 0.000 5.101 972 A HA -0.260 4.059 4.320 -0.002 0.000 0.360 972 A C 1.202 178.708 177.584 -0.131 0.000 1.612 972 A CA 2.072 53.996 52.037 -0.188 0.000 0.689 972 A CB -1.638 17.258 19.000 -0.175 0.000 1.522 972 A HN 0.474 nan 8.150 nan 0.000 0.416 973 G N -1.906 106.834 108.800 -0.099 0.000 4.849 973 G HA2 0.596 4.555 3.960 -0.002 0.000 0.247 973 G HA3 0.596 4.555 3.960 -0.002 0.000 0.247 973 G C -0.148 174.718 174.900 -0.056 0.000 1.128 973 G CA 1.209 46.266 45.100 -0.073 0.000 0.864 973 G HN 0.931 nan 8.290 nan 0.000 0.567 974 S N -0.518 115.149 115.700 -0.056 0.000 2.667 974 S HA 0.426 4.895 4.470 -0.002 0.000 0.292 974 S C 1.698 176.277 174.600 -0.036 0.000 1.108 974 S CA -0.763 57.411 58.200 -0.044 0.000 0.992 974 S CB 1.418 64.590 63.200 -0.046 0.000 1.269 974 S HN 0.417 nan 8.310 nan 0.000 0.528 975 R N 1.105 121.587 120.500 -0.030 0.000 2.080 975 R HA -0.077 4.262 4.340 -0.002 0.000 0.236 975 R C -0.250 176.033 176.300 -0.028 0.000 1.137 975 R CA 1.481 57.567 56.100 -0.024 0.000 0.943 975 R CB -0.615 29.672 30.300 -0.020 0.000 0.846 975 R HN 0.596 nan 8.270 nan 0.000 0.431 976 N N -0.191 118.485 118.700 -0.041 0.000 2.529 976 N HA 0.438 5.177 4.740 -0.002 0.000 0.278 976 N C -1.214 174.262 175.510 -0.056 0.000 1.146 976 N CA 0.138 53.158 53.050 -0.050 0.000 0.980 976 N CB 1.755 40.198 38.487 -0.073 0.000 1.124 976 N HN 0.471 nan 8.380 nan 0.000 0.458 977 A N 0.530 123.314 122.820 -0.060 0.000 2.588 977 A HA 0.511 4.830 4.320 -0.002 0.000 0.305 977 A C 0.355 177.882 177.584 -0.095 0.000 0.991 977 A CA -0.420 51.572 52.037 -0.075 0.000 0.784 977 A CB -0.143 18.814 19.000 -0.071 0.000 1.189 977 A HN 0.943 nan 8.150 nan 0.000 0.390 978 G N 0.223 108.945 108.800 -0.130 0.000 2.390 978 G HA2 0.179 4.139 3.960 -0.002 0.000 0.299 978 G HA3 0.179 4.139 3.960 -0.002 0.000 0.299 978 G C 0.814 175.523 174.900 -0.318 0.000 1.002 978 G CA 1.115 46.078 45.100 -0.228 0.000 0.979 978 G HN 2.428 nan 8.290 nan 0.000 0.513 979 A N -0.845 121.861 122.820 -0.190 0.000 2.477 979 A HA 0.670 4.989 4.320 -0.002 0.000 0.246 979 A C 0.817 178.286 177.584 -0.192 0.000 1.078 979 A CA 0.069 52.040 52.037 -0.110 0.000 0.770 979 A CB 0.270 19.257 19.000 -0.021 0.000 1.011 979 A HN 0.520 nan 8.150 nan 0.000 0.494 980 F N 1.582 121.510 119.950 -0.036 0.000 2.811 980 F HA 0.356 4.882 4.527 -0.001 0.000 0.301 980 F C 1.550 177.289 175.800 -0.102 0.000 1.151 980 F CA 1.280 59.244 58.000 -0.061 0.000 1.412 980 F CB 0.116 39.080 39.000 -0.061 0.000 1.113 980 F HN 0.852 nan 8.300 nan 0.000 0.579 981 G N -0.558 108.258 108.800 0.027 0.000 2.321 981 G HA2 0.379 4.338 3.960 -0.002 0.000 0.298 981 G HA3 0.379 4.338 3.960 -0.002 0.000 0.298 981 G C -1.782 173.084 174.900 -0.055 0.000 1.385 981 G CA -0.917 44.102 45.100 -0.135 0.000 0.856 981 G HN -0.020 nan 8.290 nan 0.000 0.584 982 F N -1.105 118.836 119.950 -0.016 0.000 2.640 982 F HA 0.762 5.289 4.527 0.000 0.000 0.324 982 F C -0.365 175.450 175.800 0.025 0.000 1.077 982 F CA -1.963 56.013 58.000 -0.039 0.000 0.965 982 F CB 1.184 40.109 39.000 -0.126 0.000 1.351 982 F HN 0.445 nan 8.300 nan 0.000 0.487 983 N N 1.700 120.629 118.700 0.383 0.000 2.475 983 N HA 0.138 4.877 4.740 -0.002 0.000 0.267 983 N C 1.117 176.868 175.510 0.401 0.000 1.169 983 N CA -0.142 53.095 53.050 0.311 0.000 0.947 983 N CB 0.898 39.521 38.487 0.226 0.000 1.061 983 N HN 0.619 nan 8.380 nan 0.000 0.466 984 I N 2.097 122.826 120.570 0.264 0.000 2.530 984 I HA -0.261 3.908 4.170 -0.002 0.000 0.257 984 I C 2.428 178.576 176.117 0.052 0.000 1.179 984 I CA 0.856 62.260 61.300 0.173 0.000 1.440 984 I CB -1.798 36.245 38.000 0.071 0.000 1.087 984 I HN 0.576 nan 8.210 nan 0.000 0.440 985 S N 1.410 117.143 115.700 0.055 0.000 2.387 985 S HA -0.284 4.185 4.470 -0.002 0.000 0.230 985 S C 2.052 176.666 174.600 0.023 0.000 1.035 985 S CA 1.146 59.356 58.200 0.017 0.000 1.014 985 S CB -1.369 61.869 63.200 0.063 0.000 0.836 985 S HN 0.438 nan 8.310 nan 0.000 0.466 986 F N 2.168 122.085 119.950 -0.055 0.000 2.451 986 F HA 0.209 4.737 4.527 0.001 0.000 0.299 986 F C 1.774 177.445 175.800 -0.215 0.000 1.101 986 F CA 0.344 58.264 58.000 -0.132 0.000 1.436 986 F CB -0.311 38.575 39.000 -0.191 0.000 1.074 986 F HN 0.151 nan 8.300 nan 0.000 0.553 987 L N -0.992 120.093 121.223 -0.229 0.000 2.081 987 L HA -0.349 3.990 4.340 -0.002 0.000 0.212 987 L C 2.372 179.073 176.870 -0.282 0.000 1.080 987 L CA 1.257 55.803 54.840 -0.489 0.000 0.754 987 L CB -1.033 40.386 42.059 -1.068 0.000 0.893 987 L HN 0.236 nan 8.230 nan 0.000 0.433 988 C N -0.530 118.660 119.300 -0.184 0.000 2.472 988 C HA -0.051 4.408 4.460 -0.002 0.000 0.278 988 C C 2.429 177.303 174.990 -0.192 0.000 1.447 988 C CA 0.209 59.203 59.018 -0.040 0.000 1.773 988 C CB -0.774 26.948 27.740 -0.029 0.000 1.793 988 C HN 0.364 nan 8.230 nan 0.000 0.544 989 K N 0.692 120.779 120.400 -0.522 0.000 2.426 989 K HA 0.168 4.487 4.320 -0.002 0.000 0.193 989 K C 1.643 177.947 176.600 -0.495 0.000 1.028 989 K CA 0.340 56.212 56.287 -0.691 0.000 1.047 989 K CB -0.085 31.555 32.500 -1.433 0.000 0.821 989 K HN 0.528 nan 8.250 nan 0.000 0.513 990 L N 0.468 121.504 121.223 -0.311 0.000 2.012 990 L HA -0.154 4.185 4.340 -0.002 0.000 0.210 990 L C 2.562 179.438 176.870 0.010 0.000 1.073 990 L CA 1.343 56.159 54.840 -0.041 0.000 0.748 990 L CB -0.465 41.649 42.059 0.093 0.000 0.891 990 L HN 0.135 nan 8.230 nan 0.000 0.431 991 R N 0.025 120.534 120.500 0.015 0.000 2.303 991 R HA -0.174 4.166 4.340 -0.002 0.000 0.225 991 R C 1.158 177.474 176.300 0.025 0.000 1.114 991 R CA 1.239 57.366 56.100 0.045 0.000 1.007 991 R CB -0.113 30.210 30.300 0.037 0.000 0.861 991 R HN 0.402 nan 8.270 nan 0.000 0.471 992 D N -1.210 119.178 120.400 -0.021 0.000 2.348 992 D HA -0.008 4.631 4.640 -0.002 0.000 0.211 992 D C -0.067 176.239 176.300 0.011 0.000 0.998 992 D CA 0.770 54.761 54.000 -0.016 0.000 0.873 992 D CB 0.511 41.281 40.800 -0.050 0.000 0.925 992 D HN -0.033 nan 8.370 nan 0.000 0.524 993 T N 3.236 117.806 114.554 0.026 0.000 2.875 993 T HA 0.181 4.530 4.350 -0.002 0.000 0.307 993 T C 0.507 175.232 174.700 0.041 0.000 1.013 993 T CA -0.635 61.489 62.100 0.040 0.000 0.970 993 T CB 0.618 69.522 68.868 0.059 0.000 0.986 993 T HN 0.022 nan 8.240 nan 0.000 0.536 994 K N 1.036 121.453 120.400 0.029 0.000 2.267 994 K HA 0.625 4.944 4.320 -0.002 0.000 0.236 994 K C 0.552 177.161 176.600 0.013 0.000 1.030 994 K CA -0.794 55.509 56.287 0.026 0.000 0.930 994 K CB 0.366 32.874 32.500 0.013 0.000 1.182 994 K HN 0.453 nan 8.250 nan 0.000 0.474 995 S N -0.873 114.833 115.700 0.010 0.000 2.617 995 S HA 0.233 4.702 4.470 -0.002 0.000 0.259 995 S C 1.407 176.008 174.600 0.001 0.000 1.301 995 S CA -0.072 58.132 58.200 0.007 0.000 0.984 995 S CB 0.709 63.916 63.200 0.012 0.000 0.954 995 S HN 0.708 nan 8.310 nan 0.000 0.572 996 A N 1.197 124.018 122.820 0.002 0.000 1.883 996 A HA -0.106 4.213 4.320 -0.002 0.000 0.217 996 A C 1.519 179.103 177.584 -0.000 0.000 1.186 996 A CA 1.789 53.826 52.037 0.001 0.000 0.624 996 A CB -1.359 17.642 19.000 0.002 0.000 0.822 996 A HN 0.972 nan 8.150 nan 0.000 0.444 997 D N -2.009 118.391 120.400 -0.000 0.000 2.328 997 D HA 0.140 4.779 4.640 -0.002 0.000 0.226 997 D C 0.521 176.816 176.300 -0.009 0.000 1.066 997 D CA 0.377 54.375 54.000 -0.003 0.000 0.861 997 D CB 0.059 40.858 40.800 -0.001 0.000 0.912 997 D HN 0.319 nan 8.370 nan 0.000 0.521 998 Q N -0.979 118.814 119.800 -0.011 0.000 2.305 998 Q HA -0.268 4.071 4.340 -0.002 0.000 0.203 998 Q C 1.046 177.025 176.000 -0.035 0.000 0.663 998 Q CA 1.292 57.084 55.803 -0.018 0.000 1.389 998 Q CB -1.558 27.171 28.738 -0.016 0.000 1.566 998 Q HN 0.500 nan 8.270 nan 0.000 0.755 999 K N 0.145 120.525 120.400 -0.034 0.000 1.965 999 K HA -0.096 4.223 4.320 -0.002 0.000 0.218 999 K C 1.294 177.831 176.600 -0.104 0.000 1.048 999 K CA 2.098 58.353 56.287 -0.052 0.000 0.960 999 K CB -0.073 32.409 32.500 -0.030 0.000 0.732 999 K HN 0.418 nan 8.250 nan 0.000 0.444 1000 M N -1.508 118.037 119.600 -0.091 0.000 2.667 1000 M HA 0.299 4.778 4.480 -0.002 0.000 0.286 1000 M C -0.359 175.921 176.300 -0.034 0.000 1.270 1000 M CA -0.924 54.271 55.300 -0.175 0.000 0.826 1000 M CB 1.958 34.458 32.600 -0.167 0.000 1.743 1000 M HN 0.036 nan 8.290 nan 0.000 0.460 1001 T N -1.769 112.813 114.554 0.046 0.000 2.922 1001 T HA 0.538 4.887 4.350 -0.002 0.000 0.281 1001 T C 0.694 175.519 174.700 0.208 0.000 1.005 1001 T CA -0.991 61.200 62.100 0.153 0.000 0.982 1001 T CB 1.007 70.003 68.868 0.213 0.000 1.158 1001 T HN 0.874 nan 8.240 nan 0.000 0.566 1002 L N 0.056 121.367 121.223 0.147 0.000 2.131 1002 L HA 0.071 4.410 4.340 -0.002 0.000 0.210 1002 L C 2.447 179.433 176.870 0.194 0.000 1.092 1002 L CA 1.080 56.005 54.840 0.142 0.000 0.759 1002 L CB -0.415 41.696 42.059 0.087 0.000 0.903 1002 L HN 0.707 nan 8.230 nan 0.000 0.435 1003 L N -1.214 120.105 121.223 0.161 0.000 2.056 1003 L HA -0.257 4.082 4.340 -0.002 0.000 0.207 1003 L C 2.384 179.234 176.870 -0.034 0.000 1.078 1003 L CA 1.283 56.169 54.840 0.077 0.000 0.749 1003 L CB -0.273 41.784 42.059 -0.004 0.000 0.901 1003 L HN 0.358 nan 8.230 nan 0.000 0.433 1004 H N -1.584 117.500 119.070 0.025 0.000 2.293 1004 H HA -0.238 4.316 4.556 -0.003 0.000 0.300 1004 H C 1.790 177.138 175.328 0.033 0.000 1.082 1004 H CA 2.426 58.466 56.048 -0.013 0.000 1.308 1004 H CB -0.386 29.378 29.762 0.003 0.000 1.375 1004 H HN 0.287 nan 8.280 nan 0.000 0.495 1005 F N 0.336 120.349 119.950 0.105 0.000 2.091 1005 F HA -0.248 4.277 4.527 -0.004 0.000 0.299 1005 F C 2.101 177.931 175.800 0.050 0.000 1.103 1005 F CA 0.966 59.005 58.000 0.064 0.000 1.228 1005 F CB -0.254 38.784 39.000 0.063 0.000 0.984 1005 F HN 0.089 nan 8.300 nan 0.000 0.477 1006 L N 0.189 121.608 121.223 0.326 0.000 2.093 1006 L HA -0.070 4.269 4.340 -0.002 0.000 0.208 1006 L C 2.519 179.463 176.870 0.122 0.000 1.085 1006 L CA 1.889 56.888 54.840 0.266 0.000 0.755 1006 L CB -1.273 40.958 42.059 0.287 0.000 0.904 1006 L HN 0.211 nan 8.230 nan 0.000 0.435 1007 A N -1.539 121.240 122.820 -0.068 0.000 1.929 1007 A HA -0.182 4.138 4.320 -0.002 0.000 0.216 1007 A C 2.309 179.822 177.584 -0.118 0.000 1.176 1007 A CA 1.390 53.269 52.037 -0.264 0.000 0.628 1007 A CB -0.455 18.112 19.000 -0.721 0.000 0.816 1007 A HN 0.483 nan 8.150 nan 0.000 0.444 1008 E N -0.547 119.578 120.200 -0.124 0.000 2.072 1008 E HA -0.163 4.186 4.350 -0.002 0.000 0.191 1008 E C 1.838 178.358 176.600 -0.134 0.000 0.985 1008 E CA 1.061 57.382 56.400 -0.131 0.000 0.801 1008 E CB -0.142 29.455 29.700 -0.171 0.000 0.750 1008 E HN 0.429 nan 8.360 nan 0.000 0.452 1009 L N 0.595 121.710 121.223 -0.181 0.000 2.261 1009 L HA -0.188 4.151 4.340 -0.002 0.000 0.216 1009 L C 1.967 178.882 176.870 0.076 0.000 1.114 1009 L CA 1.454 56.230 54.840 -0.107 0.000 0.777 1009 L CB -0.437 41.580 42.059 -0.069 0.000 0.910 1009 L HN 0.279 nan 8.230 nan 0.000 0.440 1010 C N -1.079 118.292 119.300 0.119 0.000 2.544 1010 C HA -0.059 4.400 4.460 -0.002 0.000 0.280 1010 C C 2.590 177.653 174.990 0.121 0.000 1.295 1010 C CA 0.561 59.701 59.018 0.202 0.000 1.702 1010 C CB -0.541 27.372 27.740 0.288 0.000 2.090 1010 C HN 0.609 nan 8.230 nan 0.000 0.493 1011 E N 1.231 121.469 120.200 0.063 0.000 2.130 1011 E HA -0.221 4.128 4.350 -0.002 0.000 0.196 1011 E C 1.651 178.252 176.600 0.002 0.000 0.998 1011 E CA 1.487 57.904 56.400 0.029 0.000 0.806 1011 E CB 0.036 29.732 29.700 -0.008 0.000 0.738 1011 E HN 0.606 nan 8.360 nan 0.000 0.459 1012 N N 0.202 118.887 118.700 -0.024 0.000 2.245 1012 N HA -0.069 4.670 4.740 -0.002 0.000 0.185 1012 N C 1.138 176.602 175.510 -0.076 0.000 1.036 1012 N CA 1.382 54.402 53.050 -0.049 0.000 0.857 1012 N CB -0.234 38.211 38.487 -0.069 0.000 1.015 1012 N HN 0.137 nan 8.380 nan 0.000 0.436 1013 D N -0.537 119.802 120.400 -0.103 0.000 2.277 1013 D HA 0.043 4.682 4.640 -0.002 0.000 0.209 1013 D C 0.032 176.004 176.300 -0.547 0.000 0.970 1013 D CA 0.898 54.721 54.000 -0.296 0.000 0.874 1013 D CB 0.144 40.776 40.800 -0.281 0.000 0.982 1013 D HN 0.364 nan 8.370 nan 0.000 0.504 1014 H N -0.514 118.581 119.070 0.040 0.000 2.488 1014 H HA 0.216 4.770 4.556 -0.002 0.000 0.237 1014 H C -2.120 173.255 175.328 0.078 0.000 1.395 1014 H CA -1.287 54.797 56.048 0.059 0.000 1.491 1014 H CB 1.492 31.295 29.762 0.068 0.000 1.567 1014 H HN 0.009 nan 8.280 nan 0.000 0.508 1015 P HA -0.076 nan 4.420 nan 0.000 0.242 1015 P C 1.370 178.747 177.300 0.129 0.000 1.197 1015 P CA 0.573 63.742 63.100 0.114 0.000 0.765 1015 P CB 0.498 32.236 31.700 0.063 0.000 0.936 1016 E N -0.138 120.150 120.200 0.146 0.000 2.072 1016 E HA -0.088 4.261 4.350 -0.002 0.000 0.191 1016 E C 1.952 178.649 176.600 0.162 0.000 0.985 1016 E CA 1.062 57.544 56.400 0.137 0.000 0.801 1016 E CB -1.379 28.402 29.700 0.135 0.000 0.750 1016 E HN 0.143 nan 8.360 nan 0.000 0.452 1017 V N 2.378 122.408 119.914 0.193 0.000 2.392 1017 V HA -0.228 3.891 4.120 -0.002 0.000 0.249 1017 V C 2.574 178.847 176.094 0.297 0.000 1.059 1017 V CA 1.350 63.783 62.300 0.222 0.000 1.051 1017 V CB -0.740 31.211 31.823 0.212 0.000 0.658 1017 V HN 0.197 nan 8.190 nan 0.000 0.455 1018 L N -0.412 120.973 121.223 0.269 0.000 2.551 1018 L HA -0.169 4.170 4.340 -0.002 0.000 0.230 1018 L C 2.044 178.980 176.870 0.111 0.000 1.163 1018 L CA 1.365 56.355 54.840 0.250 0.000 0.826 1018 L CB -0.518 41.659 42.059 0.196 0.000 0.943 1018 L HN 0.375 nan 8.230 nan 0.000 0.452 1019 K N -0.548 119.922 120.400 0.117 0.000 2.372 1019 K HA 0.023 4.342 4.320 -0.002 0.000 0.200 1019 K C 1.583 178.216 176.600 0.054 0.000 1.022 1019 K CA -0.047 56.271 56.287 0.052 0.000 1.125 1019 K CB 0.256 32.797 32.500 0.069 0.000 0.855 1019 K HN 0.226 nan 8.250 nan 0.000 0.524 1020 F N 1.054 121.008 119.950 0.007 0.000 2.259 1020 F HA 0.094 4.620 4.527 -0.003 0.000 0.298 1020 F C -1.313 174.473 175.800 -0.022 0.000 1.088 1020 F CA -0.120 57.891 58.000 0.018 0.000 1.358 1020 F CB -1.227 37.808 39.000 0.058 0.000 1.040 1020 F HN -0.101 nan 8.300 nan 0.000 0.505 1021 P HA -0.062 nan 4.420 nan 0.000 0.226 1021 P C 0.684 177.801 177.300 -0.306 0.000 1.153 1021 P CA 1.390 64.031 63.100 -0.766 0.000 0.777 1021 P CB -0.009 31.268 31.700 -0.705 0.000 0.794 1022 D N -0.751 119.532 120.400 -0.196 0.000 2.301 1022 D HA -0.035 4.604 4.640 -0.002 0.000 0.206 1022 D C 1.551 177.831 176.300 -0.034 0.000 0.979 1022 D CA 0.678 54.623 54.000 -0.091 0.000 0.874 1022 D CB -0.225 40.541 40.800 -0.057 0.000 0.968 1022 D HN 0.254 nan 8.370 nan 0.000 0.510 1023 E N -0.068 120.137 120.200 0.008 0.000 2.478 1023 E HA 0.028 4.377 4.350 -0.002 0.000 0.198 1023 E C 0.290 176.930 176.600 0.067 0.000 1.046 1023 E CA 0.277 56.718 56.400 0.069 0.000 0.870 1023 E CB 0.257 30.041 29.700 0.141 0.000 0.818 1023 E HN 0.198 nan 8.360 nan 0.000 0.527 1024 L N 0.164 121.401 121.223 0.024 0.000 2.679 1024 L HA 0.351 4.690 4.340 -0.002 0.000 0.238 1024 L C 0.883 177.745 176.870 -0.013 0.000 1.330 1024 L CA -0.505 54.349 54.840 0.024 0.000 0.935 1024 L CB 0.928 43.002 42.059 0.024 0.000 1.243 1024 L HN 0.025 nan 8.230 nan 0.000 0.484 1025 A N -0.176 122.633 122.820 -0.018 0.000 1.840 1025 A HA -0.160 4.159 4.320 -0.002 0.000 0.214 1025 A C 1.817 179.313 177.584 -0.147 0.000 1.198 1025 A CA 1.388 53.363 52.037 -0.102 0.000 0.608 1025 A CB -0.450 18.460 19.000 -0.150 0.000 0.839 1025 A HN 0.674 nan 8.150 nan 0.000 0.443 1026 H N -1.021 118.007 119.070 -0.070 0.000 2.546 1026 H HA 0.082 4.637 4.556 -0.001 0.000 0.277 1026 H C 1.822 177.048 175.328 -0.170 0.000 1.004 1026 H CA 0.744 56.725 56.048 -0.110 0.000 1.231 1026 H CB 0.035 29.725 29.762 -0.120 0.000 1.382 1026 H HN 0.232 nan 8.280 nan 0.000 0.580 1027 V N 0.718 120.597 119.914 -0.058 0.000 2.324 1027 V HA -0.327 3.792 4.120 -0.002 0.000 0.250 1027 V C 2.380 178.432 176.094 -0.071 0.000 1.060 1027 V CA 2.314 64.546 62.300 -0.113 0.000 1.042 1027 V CB -0.356 31.491 31.823 0.041 0.000 0.650 1027 V HN 0.573 nan 8.190 nan 0.000 0.450 1028 E N 0.134 120.322 120.200 -0.019 0.000 2.085 1028 E HA -0.275 4.074 4.350 -0.002 0.000 0.194 1028 E C 2.238 178.725 176.600 -0.189 0.000 0.994 1028 E CA 1.556 57.879 56.400 -0.129 0.000 0.801 1028 E CB -0.090 29.594 29.700 -0.027 0.000 0.743 1028 E HN 0.592 nan 8.360 nan 0.000 0.453 1029 K N -0.101 120.229 120.400 -0.117 0.000 2.097 1029 K HA -0.061 4.258 4.320 -0.002 0.000 0.205 1029 K C 2.057 178.594 176.600 -0.105 0.000 1.050 1029 K CA 1.002 57.234 56.287 -0.092 0.000 0.938 1029 K CB -0.069 32.411 32.500 -0.033 0.000 0.718 1029 K HN 0.150 nan 8.250 nan 0.000 0.442 1030 A N 1.207 123.934 122.820 -0.155 0.000 2.172 1030 A HA -0.116 4.203 4.320 -0.002 0.000 0.216 1030 A C 2.073 179.623 177.584 -0.057 0.000 1.154 1030 A CA 1.593 53.517 52.037 -0.188 0.000 0.701 1030 A CB -0.498 18.179 19.000 -0.538 0.000 0.789 1030 A HN 0.374 nan 8.150 nan 0.000 0.465 1031 S N -0.264 115.398 115.700 -0.065 0.000 2.406 1031 S HA -0.097 4.372 4.470 -0.002 0.000 0.228 1031 S C 1.834 176.411 174.600 -0.038 0.000 1.020 1031 S CA 1.097 59.278 58.200 -0.032 0.000 0.965 1031 S CB -0.299 62.806 63.200 -0.157 0.000 0.798 1031 S HN 0.598 nan 8.310 nan 0.000 0.488 1032 R N 0.395 120.856 120.500 -0.065 0.000 2.300 1032 R HA 0.323 4.662 4.340 -0.002 0.000 0.199 1032 R C -0.332 175.955 176.300 -0.022 0.000 0.920 1032 R CA -0.071 56.001 56.100 -0.046 0.000 1.046 1032 R CB 0.213 30.476 30.300 -0.061 0.000 0.984 1032 R HN 0.259 nan 8.270 nan 0.000 0.493 1033 V N 1.214 121.118 119.914 -0.018 0.000 2.572 1033 V HA -0.026 4.093 4.120 -0.002 0.000 0.291 1033 V C 0.460 176.561 176.094 0.011 0.000 1.039 1033 V CA 0.163 62.460 62.300 -0.005 0.000 1.055 1033 V CB 1.551 33.368 31.823 -0.011 0.000 0.969 1033 V HN 0.071 nan 8.190 nan 0.000 0.482 1034 S N 4.185 119.894 115.700 0.016 0.000 2.400 1034 S HA 0.417 4.886 4.470 -0.002 0.000 0.295 1034 S C 1.180 175.802 174.600 0.037 0.000 1.113 1034 S CA -0.136 58.080 58.200 0.026 0.000 1.064 1034 S CB 0.870 64.084 63.200 0.023 0.000 0.990 1034 S HN 0.923 nan 8.310 nan 0.000 0.502 1035 A N 4.427 127.271 122.820 0.040 0.000 1.877 1035 A HA -0.097 4.222 4.320 -0.002 0.000 0.216 1035 A C 2.022 179.650 177.584 0.073 0.000 1.186 1035 A CA 1.588 53.654 52.037 0.049 0.000 0.620 1035 A CB -0.639 18.381 19.000 0.032 0.000 0.822 1035 A HN 0.865 nan 8.150 nan 0.000 0.443 1036 E N -0.448 119.789 120.200 0.061 0.000 2.152 1036 E HA -0.172 4.177 4.350 -0.002 0.000 0.192 1036 E C 1.488 178.119 176.600 0.052 0.000 0.983 1036 E CA 0.928 57.365 56.400 0.062 0.000 0.818 1036 E CB -0.112 29.619 29.700 0.052 0.000 0.758 1036 E HN 0.520 nan 8.360 nan 0.000 0.467 1037 N N 0.706 119.432 118.700 0.043 0.000 2.309 1037 N HA -0.103 4.636 4.740 -0.002 0.000 0.182 1037 N C 1.840 177.366 175.510 0.028 0.000 1.018 1037 N CA 0.469 53.538 53.050 0.033 0.000 0.876 1037 N CB -0.134 38.369 38.487 0.028 0.000 0.972 1037 N HN 0.228 nan 8.380 nan 0.000 0.434 1038 L N 0.563 121.811 121.223 0.041 0.000 2.017 1038 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 1038 L C 2.243 179.085 176.870 -0.047 0.000 1.073 1038 L CA 1.197 56.054 54.840 0.027 0.000 0.745 1038 L CB -0.337 41.787 42.059 0.109 0.000 0.894 1038 L HN 0.218 nan 8.230 nan 0.000 0.432 1039 Q N 0.048 119.843 119.800 -0.007 0.000 2.170 1039 Q HA -0.199 4.140 4.340 -0.002 0.000 0.203 1039 Q C 2.140 178.128 176.000 -0.021 0.000 0.976 1039 Q CA 1.299 57.073 55.803 -0.048 0.000 0.858 1039 Q CB 0.022 28.793 28.738 0.055 0.000 0.907 1039 Q HN 0.494 nan 8.270 nan 0.000 0.433 1040 K N -0.325 120.078 120.400 0.006 0.000 2.057 1040 K HA -0.023 4.297 4.320 -0.002 0.000 0.206 1040 K C 2.239 178.847 176.600 0.015 0.000 1.050 1040 K CA 1.129 57.424 56.287 0.014 0.000 0.935 1040 K CB 0.041 32.554 32.500 0.021 0.000 0.715 1040 K HN -0.036 nan 8.250 nan 0.000 0.439 1041 S N 1.049 116.755 115.700 0.010 0.000 2.428 1041 S HA 0.021 4.490 4.470 -0.002 0.000 0.230 1041 S C 1.738 176.363 174.600 0.042 0.000 1.014 1041 S CA 0.715 58.931 58.200 0.025 0.000 0.957 1041 S CB 0.023 63.234 63.200 0.018 0.000 0.784 1041 S HN 0.199 nan 8.310 nan 0.000 0.499 1042 L N 0.624 121.851 121.223 0.006 0.000 2.202 1042 L HA 0.013 4.352 4.340 -0.002 0.000 0.205 1042 L C 1.637 178.590 176.870 0.138 0.000 1.083 1042 L CA 0.932 55.814 54.840 0.070 0.000 0.790 1042 L CB -0.460 41.542 42.059 -0.096 0.000 0.942 1042 L HN 0.162 nan 8.230 nan 0.000 0.452 1043 D N -0.380 120.053 120.400 0.055 0.000 2.224 1043 D HA -0.185 4.454 4.640 -0.002 0.000 0.205 1043 D C 2.073 178.384 176.300 0.018 0.000 0.965 1043 D CA 0.819 54.845 54.000 0.044 0.000 0.852 1043 D CB 0.142 40.957 40.800 0.025 0.000 0.947 1043 D HN 0.251 nan 8.370 nan 0.000 0.494 1044 Q N -0.501 119.314 119.800 0.026 0.000 2.187 1044 Q HA 0.015 4.354 4.340 -0.002 0.000 0.199 1044 Q C 2.022 178.026 176.000 0.008 0.000 0.957 1044 Q CA 0.465 56.274 55.803 0.010 0.000 0.857 1044 Q CB 0.094 28.847 28.738 0.026 0.000 0.929 1044 Q HN 0.225 nan 8.270 nan 0.000 0.453 1045 M N 0.107 119.751 119.600 0.074 0.000 2.132 1045 M HA -0.173 4.306 4.480 -0.002 0.000 0.263 1045 M C 2.109 178.384 176.300 -0.041 0.000 1.065 1045 M CA 1.437 56.821 55.300 0.139 0.000 1.122 1045 M CB -0.016 32.758 32.600 0.290 0.000 1.365 1045 M HN -0.011 nan 8.290 nan 0.000 0.411 1046 K N 0.447 120.739 120.400 -0.179 0.000 2.113 1046 K HA -0.259 4.060 4.320 -0.002 0.000 0.208 1046 K C 2.061 178.524 176.600 -0.227 0.000 1.047 1046 K CA 1.715 57.766 56.287 -0.393 0.000 0.928 1046 K CB -0.163 32.147 32.500 -0.316 0.000 0.716 1046 K HN 0.332 nan 8.250 nan 0.000 0.446 1047 K N 0.672 120.981 120.400 -0.151 0.000 2.002 1047 K HA -0.191 4.128 4.320 -0.002 0.000 0.209 1047 K C 2.096 178.572 176.600 -0.207 0.000 1.048 1047 K CA 1.674 57.878 56.287 -0.139 0.000 0.930 1047 K CB -0.009 32.431 32.500 -0.100 0.000 0.714 1047 K HN 0.226 nan 8.250 nan 0.000 0.438 1048 Q N 0.168 119.776 119.800 -0.320 0.000 2.224 1048 Q HA -0.067 4.272 4.340 -0.002 0.000 0.203 1048 Q C 2.061 177.684 176.000 -0.627 0.000 0.970 1048 Q CA 0.984 56.399 55.803 -0.648 0.000 0.865 1048 Q CB 0.058 28.082 28.738 -1.190 0.000 0.922 1048 Q HN 0.385 nan 8.270 nan 0.000 0.445 1049 I N 0.074 120.472 120.570 -0.287 0.000 2.233 1049 I HA -0.225 3.944 4.170 -0.002 0.000 0.243 1049 I C 2.224 178.296 176.117 -0.076 0.000 1.093 1049 I CA 0.944 62.214 61.300 -0.050 0.000 1.380 1049 I CB -0.200 37.763 38.000 -0.062 0.000 1.067 1049 I HN 0.126 nan 8.210 nan 0.000 0.413 1050 A N -0.122 122.626 122.820 -0.119 0.000 2.066 1050 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 1050 A C 1.874 179.422 177.584 -0.060 0.000 1.157 1050 A CA 1.446 53.434 52.037 -0.080 0.000 0.670 1050 A CB -0.408 18.542 19.000 -0.084 0.000 0.804 1050 A HN 0.312 nan 8.150 nan 0.000 0.453 1051 D N -0.154 120.188 120.400 -0.096 0.000 2.097 1051 D HA -0.091 4.548 4.640 -0.002 0.000 0.197 1051 D C 2.078 178.371 176.300 -0.012 0.000 0.984 1051 D CA 1.503 55.461 54.000 -0.069 0.000 0.826 1051 D CB -0.213 40.510 40.800 -0.129 0.000 0.973 1051 D HN 0.219 nan 8.370 nan 0.000 0.460 1052 V N 0.942 120.853 119.914 -0.005 0.000 2.427 1052 V HA -0.165 3.954 4.120 -0.002 0.000 0.248 1052 V C 2.383 178.515 176.094 0.063 0.000 1.051 1052 V CA 1.337 63.682 62.300 0.074 0.000 1.048 1052 V CB -0.405 31.521 31.823 0.171 0.000 0.666 1052 V HN 0.178 nan 8.190 nan 0.000 0.456 1053 E N 0.224 120.445 120.200 0.035 0.000 2.118 1053 E HA -0.268 4.081 4.350 -0.002 0.000 0.195 1053 E C 2.456 179.079 176.600 0.038 0.000 0.992 1053 E CA 1.357 57.771 56.400 0.024 0.000 0.804 1053 E CB -0.048 29.652 29.700 -0.001 0.000 0.741 1053 E HN 0.470 nan 8.360 nan 0.000 0.458 1054 R N 0.192 120.717 120.500 0.042 0.000 2.119 1054 R HA -0.103 4.236 4.340 -0.002 0.000 0.222 1054 R C 1.559 177.922 176.300 0.105 0.000 1.088 1054 R CA 1.336 57.470 56.100 0.057 0.000 0.984 1054 R CB 0.120 30.443 30.300 0.038 0.000 0.884 1054 R HN 0.130 nan 8.270 nan 0.000 0.447 1055 D N 0.105 120.587 120.400 0.136 0.000 2.117 1055 D HA -0.137 4.502 4.640 -0.002 0.000 0.197 1055 D C 1.884 178.366 176.300 0.303 0.000 0.987 1055 D CA 1.173 55.318 54.000 0.242 0.000 0.829 1055 D CB -0.047 40.910 40.800 0.262 0.000 0.961 1055 D HN 0.074 nan 8.370 nan 0.000 0.460 1056 V N 0.969 120.992 119.914 0.181 0.000 2.407 1056 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 1056 V C 2.415 178.608 176.094 0.165 0.000 1.055 1056 V CA 1.574 63.955 62.300 0.136 0.000 1.049 1056 V CB -0.451 31.389 31.823 0.029 0.000 0.662 1056 V HN 0.223 nan 8.190 nan 0.000 0.455 1057 Q N -0.407 119.473 119.800 0.133 0.000 2.297 1057 Q HA -0.085 4.254 4.340 -0.002 0.000 0.204 1057 Q C 1.251 177.330 176.000 0.130 0.000 0.962 1057 Q CA 0.927 56.795 55.803 0.109 0.000 0.879 1057 Q CB -0.051 28.730 28.738 0.071 0.000 0.947 1057 Q HN 0.561 nan 8.270 nan 0.000 0.462 1058 N N -0.668 118.139 118.700 0.178 0.000 2.235 1058 N HA 0.103 4.842 4.740 -0.002 0.000 0.209 1058 N C -1.105 174.498 175.510 0.155 0.000 1.122 1058 N CA 0.063 53.196 53.050 0.139 0.000 0.845 1058 N CB 0.377 38.922 38.487 0.098 0.000 1.004 1058 N HN 0.004 nan 8.380 nan 0.000 0.499 1059 F N 1.352 121.321 119.950 0.033 0.000 2.394 1059 F HA 0.402 4.929 4.527 -0.002 0.000 0.340 1059 F C -1.384 174.420 175.800 0.008 0.000 1.105 1059 F CA -2.093 55.912 58.000 0.010 0.000 1.124 1059 F CB 0.618 39.649 39.000 0.052 0.000 1.145 1059 F HN -0.035 nan 8.300 nan 0.000 0.505 1060 P HA 0.312 nan 4.420 nan 0.000 0.274 1060 P C -1.294 176.057 177.300 0.084 0.000 1.246 1060 P CA -0.628 62.469 63.100 -0.005 0.000 0.795 1060 P CB 0.473 32.112 31.700 -0.101 0.000 1.006 1061 A N 1.230 124.085 122.820 0.057 0.000 2.524 1061 A HA 0.414 4.733 4.320 -0.002 0.000 0.250 1061 A C 0.600 178.226 177.584 0.071 0.000 1.078 1061 A CA -0.019 52.060 52.037 0.070 0.000 0.761 1061 A CB -0.735 18.290 19.000 0.042 0.000 1.012 1061 A HN 0.594 nan 8.150 nan 0.000 0.500 1062 A N 3.596 126.474 122.820 0.097 0.000 2.541 1062 A HA 0.404 4.723 4.320 -0.002 0.000 0.293 1062 A C 1.199 178.815 177.584 0.053 0.000 1.307 1062 A CA 0.495 52.586 52.037 0.091 0.000 0.978 1062 A CB -0.908 18.156 19.000 0.107 0.000 1.111 1062 A HN 1.338 nan 8.150 nan 0.000 0.535 1063 T N -0.409 114.167 114.554 0.036 0.000 3.330 1063 T HA 0.394 4.743 4.350 -0.002 0.000 0.249 1063 T C -0.252 174.457 174.700 0.016 0.000 0.980 1063 T CA 0.091 62.203 62.100 0.020 0.000 0.920 1063 T CB -1.047 67.826 68.868 0.007 0.000 1.065 1063 T HN 0.770 nan 8.240 nan 0.000 0.588 1064 D N -1.662 118.753 120.400 0.024 0.000 2.615 1064 D HA 0.238 4.877 4.640 -0.002 0.000 0.267 1064 D C 0.496 176.810 176.300 0.024 0.000 1.236 1064 D CA -0.949 53.063 54.000 0.019 0.000 0.839 1064 D CB 0.693 41.502 40.800 0.014 0.000 1.380 1064 D HN -0.164 nan 8.370 nan 0.000 0.433 1065 E N -0.339 119.872 120.200 0.019 0.000 2.478 1065 E HA -0.041 4.308 4.350 -0.002 0.000 0.198 1065 E C 0.558 177.172 176.600 0.023 0.000 1.046 1065 E CA 0.709 57.121 56.400 0.019 0.000 0.870 1065 E CB 0.110 29.818 29.700 0.013 0.000 0.818 1065 E HN 0.460 nan 8.360 nan 0.000 0.527 1066 K N 0.348 120.764 120.400 0.028 0.000 2.402 1066 K HA 0.046 4.365 4.320 -0.002 0.000 0.203 1066 K C 0.519 177.148 176.600 0.048 0.000 1.077 1066 K CA -0.143 56.163 56.287 0.033 0.000 1.051 1066 K CB 0.757 33.273 32.500 0.028 0.000 0.907 1066 K HN -0.102 nan 8.250 nan 0.000 0.554 1067 D N 2.603 123.038 120.400 0.059 0.000 2.455 1067 D HA -0.008 4.631 4.640 -0.002 0.000 0.234 1067 D C -0.151 176.208 176.300 0.099 0.000 1.224 1067 D CA 0.301 54.356 54.000 0.091 0.000 0.999 1067 D CB 0.507 41.369 40.800 0.102 0.000 1.072 1067 D HN -0.096 nan 8.370 nan 0.000 0.514 1068 K N 3.384 123.837 120.400 0.088 0.000 2.684 1068 K HA 0.016 4.335 4.320 -0.002 0.000 0.215 1068 K C 0.922 177.550 176.600 0.047 0.000 1.073 1068 K CA -0.458 55.861 56.287 0.054 0.000 1.197 1068 K CB 0.042 32.556 32.500 0.023 0.000 0.955 1068 K HN 0.416 nan 8.250 nan 0.000 0.473 1069 F N 1.078 120.987 119.950 -0.068 0.000 2.059 1069 F HA -0.203 4.323 4.527 -0.002 0.000 0.289 1069 F C 1.985 177.681 175.800 -0.173 0.000 1.128 1069 F CA 1.146 59.054 58.000 -0.155 0.000 1.181 1069 F CB -0.260 38.594 39.000 -0.243 0.000 1.012 1069 F HN -0.204 nan 8.300 nan 0.000 0.473 1070 V N 0.727 120.688 119.914 0.078 0.000 2.363 1070 V HA -0.371 3.748 4.120 -0.002 0.000 0.254 1070 V C 2.309 178.349 176.094 -0.091 0.000 1.074 1070 V CA 2.394 64.691 62.300 -0.005 0.000 1.069 1070 V CB -0.994 30.887 31.823 0.097 0.000 0.659 1070 V HN 0.503 nan 8.190 nan 0.000 0.455 1071 E N 0.275 120.435 120.200 -0.066 0.000 2.005 1071 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 1071 E C 2.345 178.883 176.600 -0.103 0.000 0.987 1071 E CA 1.120 57.483 56.400 -0.061 0.000 0.814 1071 E CB -0.101 29.582 29.700 -0.029 0.000 0.772 1071 E HN 0.512 nan 8.360 nan 0.000 0.453 1072 K N -0.376 119.943 120.400 -0.135 0.000 2.209 1072 K HA -0.100 4.219 4.320 -0.002 0.000 0.204 1072 K C 1.971 178.469 176.600 -0.171 0.000 1.048 1072 K CA 0.926 57.130 56.287 -0.138 0.000 0.940 1072 K CB 0.046 32.461 32.500 -0.141 0.000 0.729 1072 K HN 0.255 nan 8.250 nan 0.000 0.451 1073 M N -0.232 119.190 119.600 -0.297 0.000 2.388 1073 M HA -0.028 4.451 4.480 -0.002 0.000 0.265 1073 M C 1.829 178.061 176.300 -0.114 0.000 1.088 1073 M CA 1.295 56.420 55.300 -0.292 0.000 1.134 1073 M CB -0.768 31.444 32.600 -0.647 0.000 1.384 1073 M HN -0.019 nan 8.290 nan 0.000 0.447 1074 T N -0.207 114.278 114.554 -0.115 0.000 2.904 1074 T HA -0.072 4.277 4.350 -0.002 0.000 0.267 1074 T C 1.995 176.670 174.700 -0.041 0.000 1.059 1074 T CA 1.640 63.704 62.100 -0.061 0.000 1.137 1074 T CB -0.165 68.673 68.868 -0.051 0.000 0.879 1074 T HN 0.385 nan 8.240 nan 0.000 0.467 1075 S N 0.238 115.917 115.700 -0.035 0.000 2.481 1075 S HA 0.016 4.485 4.470 -0.002 0.000 0.231 1075 S C 1.520 176.118 174.600 -0.003 0.000 0.996 1075 S CA 0.280 58.467 58.200 -0.021 0.000 0.942 1075 S CB -0.434 62.755 63.200 -0.017 0.000 0.768 1075 S HN 0.494 nan 8.310 nan 0.000 0.520 1076 F N 1.024 120.875 119.950 -0.165 0.000 2.317 1076 F HA 0.235 4.761 4.527 -0.002 0.000 0.293 1076 F C 1.908 177.574 175.800 -0.223 0.000 1.085 1076 F CA 0.608 58.479 58.000 -0.215 0.000 1.390 1076 F CB -0.202 38.646 39.000 -0.252 0.000 1.077 1076 F HN 0.035 nan 8.300 nan 0.000 0.517 1077 V N 0.927 120.762 119.914 -0.132 0.000 2.358 1077 V HA -0.262 3.857 4.120 -0.002 0.000 0.246 1077 V C 2.250 178.230 176.094 -0.190 0.000 1.047 1077 V CA 1.980 64.177 62.300 -0.172 0.000 1.035 1077 V CB -0.624 31.168 31.823 -0.052 0.000 0.658 1077 V HN 0.232 nan 8.190 nan 0.000 0.452 1078 K N 0.119 120.438 120.400 -0.136 0.000 2.032 1078 K HA -0.250 4.069 4.320 -0.002 0.000 0.209 1078 K C 1.991 178.508 176.600 -0.139 0.000 1.048 1078 K CA 2.006 58.231 56.287 -0.104 0.000 0.927 1078 K CB -0.359 32.101 32.500 -0.067 0.000 0.712 1078 K HN 0.459 nan 8.250 nan 0.000 0.441 1079 D N 0.444 120.720 120.400 -0.208 0.000 2.144 1079 D HA -0.106 4.533 4.640 -0.002 0.000 0.200 1079 D C 1.732 177.846 176.300 -0.310 0.000 0.978 1079 D CA 1.320 55.185 54.000 -0.224 0.000 0.833 1079 D CB 0.064 40.724 40.800 -0.233 0.000 0.961 1079 D HN 0.199 nan 8.370 nan 0.000 0.470 1080 A N -0.254 122.201 122.820 -0.608 0.000 1.897 1080 A HA -0.116 4.203 4.320 -0.002 0.000 0.215 1080 A C 2.205 179.706 177.584 -0.139 0.000 1.181 1080 A CA 1.622 53.237 52.037 -0.703 0.000 0.620 1080 A CB -0.816 17.455 19.000 -1.216 0.000 0.821 1080 A HN 0.277 nan 8.150 nan 0.000 0.443 1081 Q N 0.015 119.749 119.800 -0.111 0.000 2.050 1081 Q HA -0.203 4.136 4.340 -0.002 0.000 0.202 1081 Q C 1.995 178.064 176.000 0.115 0.000 0.980 1081 Q CA 2.246 58.072 55.803 0.038 0.000 0.840 1081 Q CB -0.312 28.424 28.738 -0.004 0.000 0.898 1081 Q HN 0.748 nan 8.270 nan 0.000 0.424 1082 E N -0.529 119.695 120.200 0.040 0.000 2.058 1082 E HA -0.268 4.081 4.350 -0.002 0.000 0.194 1082 E C 2.039 178.681 176.600 0.069 0.000 0.997 1082 E CA 1.439 57.864 56.400 0.043 0.000 0.801 1082 E CB -0.024 29.681 29.700 0.007 0.000 0.746 1082 E HN 0.490 nan 8.360 nan 0.000 0.450 1083 Q N -0.837 119.024 119.800 0.102 0.000 2.167 1083 Q HA -0.195 4.144 4.340 -0.002 0.000 0.202 1083 Q C 2.000 178.095 176.000 0.158 0.000 0.970 1083 Q CA 1.395 57.280 55.803 0.136 0.000 0.855 1083 Q CB -0.194 28.686 28.738 0.236 0.000 0.911 1083 Q HN 0.453 nan 8.270 nan 0.000 0.438 1084 Y N 1.834 122.203 120.300 0.115 0.000 2.200 1084 Y HA -0.170 4.379 4.550 -0.002 0.000 0.290 1084 Y C 1.754 177.684 175.900 0.051 0.000 1.137 1084 Y CA 1.392 59.550 58.100 0.096 0.000 1.163 1084 Y CB -0.148 38.379 38.460 0.112 0.000 0.988 1084 Y HN 0.084 nan 8.280 nan 0.000 0.518 1085 N N 0.739 119.415 118.700 -0.039 0.000 2.244 1085 N HA -0.147 4.592 4.740 -0.002 0.000 0.183 1085 N C 1.592 177.017 175.510 -0.142 0.000 1.016 1085 N CA 1.483 54.452 53.050 -0.134 0.000 0.866 1085 N CB -0.234 38.270 38.487 0.029 0.000 0.980 1085 N HN 0.480 nan 8.380 nan 0.000 0.430 1086 K N 0.348 120.699 120.400 -0.081 0.000 2.057 1086 K HA -0.059 4.260 4.320 -0.002 0.000 0.207 1086 K C 1.737 178.279 176.600 -0.097 0.000 1.049 1086 K CA 0.827 57.075 56.287 -0.066 0.000 0.931 1086 K CB -0.059 32.421 32.500 -0.033 0.000 0.714 1086 K HN 0.002 nan 8.250 nan 0.000 0.440 1087 L N 0.746 121.883 121.223 -0.144 0.000 2.156 1087 L HA -0.033 4.306 4.340 -0.002 0.000 0.208 1087 L C 2.311 179.060 176.870 -0.202 0.000 1.095 1087 L CA 1.328 56.079 54.840 -0.149 0.000 0.770 1087 L CB -0.386 41.591 42.059 -0.137 0.000 0.914 1087 L HN 0.084 nan 8.230 nan 0.000 0.439 1088 R N -0.989 119.280 120.500 -0.386 0.000 2.075 1088 R HA -0.124 4.215 4.340 -0.002 0.000 0.232 1088 R C 2.286 178.523 176.300 -0.105 0.000 1.126 1088 R CA 1.228 57.129 56.100 -0.332 0.000 0.963 1088 R CB -0.130 29.861 30.300 -0.515 0.000 0.858 1088 R HN 0.253 nan 8.270 nan 0.000 0.435 1089 M N 0.157 119.698 119.600 -0.098 0.000 2.065 1089 M HA -0.237 4.242 4.480 -0.002 0.000 0.259 1089 M C 2.277 178.564 176.300 -0.020 0.000 1.069 1089 M CA 1.881 57.155 55.300 -0.044 0.000 1.110 1089 M CB -0.303 32.271 32.600 -0.043 0.000 1.328 1089 M HN 0.244 nan 8.290 nan 0.000 0.405 1090 M N -1.956 117.631 119.600 -0.022 0.000 2.213 1090 M HA -0.236 4.243 4.480 -0.002 0.000 0.263 1090 M C 2.030 178.341 176.300 0.018 0.000 1.062 1090 M CA 1.635 56.930 55.300 -0.009 0.000 1.105 1090 M CB -0.710 31.880 32.600 -0.017 0.000 1.385 1090 M HN 0.327 nan 8.290 nan 0.000 0.417 1091 H N 0.149 119.187 119.070 -0.054 0.000 2.333 1091 H HA -0.084 4.471 4.556 -0.002 0.000 0.302 1091 H C 2.223 177.545 175.328 -0.009 0.000 1.075 1091 H CA 2.149 58.178 56.048 -0.032 0.000 1.348 1091 H CB 0.069 29.806 29.762 -0.041 0.000 1.393 1091 H HN 0.358 nan 8.280 nan 0.000 0.509 1092 S N -0.145 115.553 115.700 -0.004 0.000 2.387 1092 S HA -0.206 4.263 4.470 -0.002 0.000 0.226 1092 S C 2.118 176.685 174.600 -0.054 0.000 1.026 1092 S CA 1.028 59.204 58.200 -0.040 0.000 0.972 1092 S CB -0.556 62.659 63.200 0.025 0.000 0.814 1092 S HN 0.681 nan 8.310 nan 0.000 0.477 1093 N N 1.541 120.219 118.700 -0.036 0.000 2.120 1093 N HA -0.191 4.548 4.740 -0.002 0.000 0.188 1093 N C 1.988 177.481 175.510 -0.028 0.000 1.024 1093 N CA 1.656 54.689 53.050 -0.027 0.000 0.852 1093 N CB -0.375 38.099 38.487 -0.021 0.000 1.003 1093 N HN 0.574 nan 8.380 nan 0.000 0.424 1094 M N 0.943 120.511 119.600 -0.053 0.000 2.108 1094 M HA -0.151 4.328 4.480 -0.002 0.000 0.261 1094 M C 1.597 177.891 176.300 -0.011 0.000 1.066 1094 M CA 1.629 56.905 55.300 -0.040 0.000 1.107 1094 M CB -0.133 32.416 32.600 -0.085 0.000 1.356 1094 M HN 0.173 nan 8.290 nan 0.000 0.406 1095 E N -0.625 119.523 120.200 -0.086 0.000 2.106 1095 E HA -0.143 4.206 4.350 -0.002 0.000 0.192 1095 E C 1.829 178.444 176.600 0.024 0.000 0.984 1095 E CA 1.788 58.176 56.400 -0.020 0.000 0.806 1095 E CB -0.177 29.463 29.700 -0.101 0.000 0.750 1095 E HN 0.585 nan 8.360 nan 0.000 0.458 1096 T N 1.799 116.350 114.554 -0.005 0.000 2.720 1096 T HA -0.137 4.212 4.350 -0.002 0.000 0.268 1096 T C 1.975 176.679 174.700 0.008 0.000 1.037 1096 T CA 0.844 62.939 62.100 -0.008 0.000 1.144 1096 T CB -0.166 68.694 68.868 -0.014 0.000 0.864 1096 T HN 0.087 nan 8.240 nan 0.000 0.444 1097 L N -0.542 120.704 121.223 0.039 0.000 2.217 1097 L HA -0.019 4.320 4.340 -0.002 0.000 0.211 1097 L C 2.303 179.259 176.870 0.144 0.000 1.107 1097 L CA 0.997 55.880 54.840 0.073 0.000 0.783 1097 L CB -0.302 41.806 42.059 0.081 0.000 0.919 1097 L HN 0.271 nan 8.230 nan 0.000 0.442 1098 Y N 0.262 120.570 120.300 0.014 0.000 2.314 1098 Y HA -0.136 4.413 4.550 -0.002 0.000 0.294 1098 Y C 2.492 178.347 175.900 -0.075 0.000 1.119 1098 Y CA 1.177 59.285 58.100 0.013 0.000 1.179 1098 Y CB 0.021 38.500 38.460 0.031 0.000 1.025 1098 Y HN -0.081 nan 8.280 nan 0.000 0.541 1099 K N 0.715 121.005 120.400 -0.183 0.000 2.217 1099 K HA -0.181 4.138 4.320 -0.002 0.000 0.202 1099 K C 1.753 178.202 176.600 -0.251 0.000 1.051 1099 K CA 1.291 57.401 56.287 -0.295 0.000 0.952 1099 K CB 0.047 32.451 32.500 -0.160 0.000 0.736 1099 K HN 0.377 nan 8.250 nan 0.000 0.453 1100 E N 0.745 120.866 120.200 -0.132 0.000 2.031 1100 E HA -0.124 4.225 4.350 -0.002 0.000 0.193 1100 E C 2.041 178.606 176.600 -0.058 0.000 0.994 1100 E CA 1.225 57.578 56.400 -0.079 0.000 0.800 1100 E CB -0.091 29.591 29.700 -0.029 0.000 0.752 1100 E HN 0.214 nan 8.360 nan 0.000 0.447 1101 L N -0.584 120.626 121.223 -0.022 0.000 2.083 1101 L HA -0.101 4.238 4.340 -0.002 0.000 0.209 1101 L C 2.425 179.221 176.870 -0.123 0.000 1.083 1101 L CA 1.156 56.091 54.840 0.159 0.000 0.752 1101 L CB -0.601 41.626 42.059 0.279 0.000 0.899 1101 L HN 0.308 nan 8.230 nan 0.000 0.433 1102 G N -0.614 107.722 108.800 -0.774 0.000 2.422 1102 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.218 1102 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.218 1102 G C 1.137 175.661 174.900 -0.625 0.000 1.146 1102 G CA 0.858 45.118 45.100 -1.398 0.000 0.769 1102 G HN 0.293 nan 8.290 nan 0.000 0.547 1103 D N -0.939 119.259 120.400 -0.336 0.000 2.123 1103 D HA -0.054 4.585 4.640 -0.002 0.000 0.200 1103 D C 1.922 178.167 176.300 -0.091 0.000 0.976 1103 D CA 0.534 54.427 54.000 -0.178 0.000 0.831 1103 D CB -0.267 40.461 40.800 -0.119 0.000 0.974 1103 D HN 0.333 nan 8.370 nan 0.000 0.469 1104 Y N -0.152 120.036 120.300 -0.186 0.000 2.184 1104 Y HA -0.067 4.482 4.550 -0.002 0.000 0.290 1104 Y C 1.475 177.174 175.900 -0.334 0.000 1.129 1104 Y CA 1.284 59.233 58.100 -0.253 0.000 1.144 1104 Y CB -0.254 38.048 38.460 -0.263 0.000 0.995 1104 Y HN -0.139 nan 8.280 nan 0.000 0.513 1105 F N -0.825 119.138 119.950 0.021 0.000 2.693 1105 F HA 0.223 4.750 4.527 -0.000 0.000 0.303 1105 F C 0.820 176.670 175.800 0.083 0.000 1.097 1105 F CA 0.241 58.272 58.000 0.052 0.000 1.330 1105 F CB 0.234 39.427 39.000 0.321 0.000 1.067 1105 F HN -0.259 nan 8.300 nan 0.000 0.565 1106 V N 2.547 122.500 119.914 0.065 0.000 5.791 1106 V HA -0.304 3.815 4.120 -0.002 0.000 0.241 1106 V C -0.964 175.224 176.094 0.156 0.000 0.700 1106 V CA 0.660 62.966 62.300 0.009 0.000 0.848 1106 V CB -1.474 30.334 31.823 -0.025 0.000 0.947 1106 V HN 0.372 nan 8.190 nan 0.000 0.423 1107 F N 2.768 122.703 119.950 -0.024 0.000 2.686 1107 F HA 0.764 5.291 4.527 0.000 0.000 0.311 1107 F C -0.654 175.089 175.800 -0.095 0.000 1.128 1107 F CA -1.344 56.636 58.000 -0.034 0.000 0.946 1107 F CB 1.174 40.169 39.000 -0.007 0.000 1.336 1107 F HN 0.183 nan 8.300 nan 0.000 0.457 1108 D N 2.775 123.235 120.400 0.100 0.000 2.336 1108 D HA 0.365 5.004 4.640 -0.002 0.000 0.249 1108 D C -1.851 174.454 176.300 0.008 0.000 1.213 1108 D CA -2.266 51.723 54.000 -0.019 0.000 0.870 1108 D CB 1.618 42.446 40.800 0.046 0.000 1.076 1108 D HN 0.291 nan 8.370 nan 0.000 0.483 1109 P HA 0.016 nan 4.420 nan 0.000 0.229 1109 P C 0.613 177.951 177.300 0.063 0.000 1.160 1109 P CA 0.749 63.698 63.100 -0.252 0.000 0.777 1109 P CB 0.419 31.773 31.700 -0.578 0.000 0.814 1110 K N -0.728 119.698 120.400 0.043 0.000 2.356 1110 K HA 0.068 4.387 4.320 -0.002 0.000 0.195 1110 K C 1.508 178.169 176.600 0.103 0.000 1.037 1110 K CA 0.403 56.741 56.287 0.086 0.000 1.014 1110 K CB 0.155 32.681 32.500 0.044 0.000 0.815 1110 K HN -0.162 nan 8.250 nan 0.000 0.507 1111 K N 1.143 121.606 120.400 0.106 0.000 2.469 1111 K HA 0.178 4.497 4.320 -0.002 0.000 0.201 1111 K C -1.133 175.552 176.600 0.142 0.000 1.028 1111 K CA 0.012 56.364 56.287 0.109 0.000 1.170 1111 K CB 0.206 32.762 32.500 0.093 0.000 0.874 1111 K HN -0.086 nan 8.250 nan 0.000 0.507 1112 L N 0.168 121.503 121.223 0.187 0.000 2.710 1112 L HA 0.268 4.607 4.340 -0.002 0.000 0.262 1112 L C -0.965 176.071 176.870 0.277 0.000 0.940 1112 L CA -0.183 54.788 54.840 0.218 0.000 0.944 1112 L CB 1.190 43.395 42.059 0.243 0.000 1.348 1112 L HN 0.127 nan 8.230 nan 0.000 0.425 1113 S N 2.494 118.308 115.700 0.190 0.000 2.593 1113 S HA 0.377 4.846 4.470 -0.002 0.000 0.269 1113 S C 1.472 176.119 174.600 0.080 0.000 1.334 1113 S CA -0.289 57.993 58.200 0.138 0.000 1.015 1113 S CB 1.249 64.504 63.200 0.090 0.000 0.912 1113 S HN 0.498 nan 8.310 nan 0.000 0.541 1114 V N 1.829 121.666 119.914 -0.129 0.000 2.324 1114 V HA -0.260 3.859 4.120 -0.002 0.000 0.250 1114 V C 2.457 178.614 176.094 0.104 0.000 1.060 1114 V CA 2.396 64.552 62.300 -0.241 0.000 1.042 1114 V CB -1.667 29.984 31.823 -0.286 0.000 0.650 1114 V HN 0.933 nan 8.190 nan 0.000 0.450 1115 E N 0.358 120.610 120.200 0.086 0.000 2.051 1115 E HA -0.190 4.159 4.350 -0.002 0.000 0.192 1115 E C 2.206 178.874 176.600 0.112 0.000 0.991 1115 E CA 1.270 57.734 56.400 0.107 0.000 0.799 1115 E CB -0.400 29.336 29.700 0.060 0.000 0.748 1115 E HN 0.559 nan 8.360 nan 0.000 0.449 1116 E N 0.192 120.453 120.200 0.102 0.000 2.085 1116 E HA -0.184 4.165 4.350 -0.002 0.000 0.194 1116 E C 1.924 178.579 176.600 0.092 0.000 0.994 1116 E CA 0.922 57.378 56.400 0.093 0.000 0.801 1116 E CB -0.254 29.506 29.700 0.101 0.000 0.743 1116 E HN 0.288 nan 8.360 nan 0.000 0.453 1117 F N 0.259 120.181 119.950 -0.046 0.000 2.128 1117 F HA -0.103 4.424 4.527 0.000 0.000 0.295 1117 F C 1.920 177.587 175.800 -0.222 0.000 1.100 1117 F CA 1.154 59.046 58.000 -0.180 0.000 1.260 1117 F CB -0.385 38.486 39.000 -0.215 0.000 1.009 1117 F HN -0.122 nan 8.300 nan 0.000 0.476 1118 F N -0.725 119.185 119.950 -0.066 0.000 2.802 1118 F HA -0.057 4.468 4.527 -0.003 0.000 0.300 1118 F C 2.014 177.754 175.800 -0.100 0.000 1.168 1118 F CA 0.255 58.163 58.000 -0.152 0.000 1.433 1118 F CB -0.158 38.838 39.000 -0.006 0.000 1.115 1118 F HN 0.119 nan 8.300 nan 0.000 0.582 1119 M N 0.214 119.855 119.600 0.067 0.000 2.216 1119 M HA -0.067 4.413 4.480 -0.002 0.000 0.264 1119 M C 1.655 177.986 176.300 0.051 0.000 1.080 1119 M CA 1.756 57.101 55.300 0.075 0.000 1.153 1119 M CB -0.476 32.156 32.600 0.053 0.000 1.356 1119 M HN -0.210 nan 8.290 nan 0.000 0.432 1120 D N 0.256 120.624 120.400 -0.054 0.000 2.158 1120 D HA -0.181 4.458 4.640 -0.002 0.000 0.197 1120 D C 2.034 178.290 176.300 -0.075 0.000 0.995 1120 D CA 1.075 55.026 54.000 -0.082 0.000 0.846 1120 D CB -0.276 40.425 40.800 -0.165 0.000 0.941 1120 D HN 0.291 nan 8.370 nan 0.000 0.456 1121 L N -0.003 121.114 121.223 -0.177 0.000 2.068 1121 L HA -0.145 4.194 4.340 -0.002 0.000 0.204 1121 L C 2.253 179.179 176.870 0.094 0.000 1.076 1121 L CA 1.556 56.323 54.840 -0.122 0.000 0.753 1121 L CB -0.758 41.096 42.059 -0.343 0.000 0.910 1121 L HN 0.143 nan 8.230 nan 0.000 0.439 1122 H N 0.331 119.410 119.070 0.016 0.000 2.353 1122 H HA -0.159 4.396 4.556 -0.002 0.000 0.300 1122 H C 1.977 177.331 175.328 0.043 0.000 1.090 1122 H CA 2.216 58.283 56.048 0.031 0.000 1.327 1122 H CB 0.171 29.946 29.762 0.021 0.000 1.383 1122 H HN 0.277 nan 8.280 nan 0.000 0.508 1123 N N -0.122 118.612 118.700 0.057 0.000 2.104 1123 N HA -0.176 4.563 4.740 -0.002 0.000 0.190 1123 N C 1.760 177.291 175.510 0.035 0.000 1.024 1123 N CA 1.309 54.364 53.050 0.009 0.000 0.853 1123 N CB -0.726 37.803 38.487 0.070 0.000 1.008 1123 N HN 0.359 nan 8.380 nan 0.000 0.424 1124 F N 2.418 122.352 119.950 -0.027 0.000 2.102 1124 F HA -0.090 4.436 4.527 -0.001 0.000 0.298 1124 F C 2.472 178.336 175.800 0.107 0.000 1.105 1124 F CA 1.306 59.336 58.000 0.050 0.000 1.239 1124 F CB -0.262 38.785 39.000 0.079 0.000 0.991 1124 F HN -0.081 nan 8.300 nan 0.000 0.474 1125 R N 0.686 121.196 120.500 0.018 0.000 2.117 1125 R HA -0.214 4.125 4.340 -0.002 0.000 0.243 1125 R C 1.711 177.878 176.300 -0.222 0.000 1.143 1125 R CA 1.937 57.960 56.100 -0.129 0.000 0.968 1125 R CB -0.790 29.437 30.300 -0.122 0.000 0.863 1125 R HN 0.343 nan 8.270 nan 0.000 0.444 1126 N N 0.030 118.580 118.700 -0.250 0.000 2.300 1126 N HA -0.046 4.693 4.740 -0.002 0.000 0.179 1126 N C 1.793 177.209 175.510 -0.157 0.000 1.016 1126 N CA 1.072 53.988 53.050 -0.223 0.000 0.876 1126 N CB -0.169 38.155 38.487 -0.272 0.000 0.979 1126 N HN 0.275 nan 8.380 nan 0.000 0.432 1127 M N -0.839 118.670 119.600 -0.152 0.000 2.175 1127 M HA -0.068 4.411 4.480 -0.002 0.000 0.264 1127 M C 1.696 177.877 176.300 -0.198 0.000 1.063 1127 M CA 1.114 56.328 55.300 -0.143 0.000 1.119 1127 M CB -0.282 32.265 32.600 -0.088 0.000 1.377 1127 M HN 0.023 nan 8.290 nan 0.000 0.415 1128 F N 1.311 121.017 119.950 -0.407 0.000 2.102 1128 F HA -0.186 4.341 4.527 0.000 0.000 0.298 1128 F C 1.946 177.606 175.800 -0.233 0.000 1.105 1128 F CA 1.524 59.316 58.000 -0.347 0.000 1.239 1128 F CB -0.109 38.684 39.000 -0.345 0.000 0.991 1128 F HN -0.047 nan 8.300 nan 0.000 0.474 1129 L N -0.267 120.941 121.223 -0.026 0.000 2.046 1129 L HA -0.246 4.093 4.340 -0.002 0.000 0.208 1129 L C 2.489 179.285 176.870 -0.124 0.000 1.077 1129 L CA 1.614 56.413 54.840 -0.068 0.000 0.747 1129 L CB -0.845 41.162 42.059 -0.087 0.000 0.896 1129 L HN 0.196 nan 8.230 nan 0.000 0.432 1130 Q N 0.349 120.068 119.800 -0.136 0.000 2.030 1130 Q HA -0.212 4.127 4.340 -0.002 0.000 0.204 1130 Q C 2.195 178.098 176.000 -0.162 0.000 0.986 1130 Q CA 2.292 58.022 55.803 -0.121 0.000 0.843 1130 Q CB -0.314 28.363 28.738 -0.101 0.000 0.904 1130 Q HN 0.437 nan 8.270 nan 0.000 0.420 1131 A N -0.687 121.949 122.820 -0.308 0.000 2.019 1131 A HA -0.091 4.228 4.320 -0.002 0.000 0.219 1131 A C 2.257 179.635 177.584 -0.343 0.000 1.164 1131 A CA 1.421 53.150 52.037 -0.512 0.000 0.644 1131 A CB -0.638 17.847 19.000 -0.858 0.000 0.805 1131 A HN 0.292 nan 8.150 nan 0.000 0.449 1132 V N -0.014 119.707 119.914 -0.321 0.000 2.270 1132 V HA -0.254 3.865 4.120 -0.002 0.000 0.245 1132 V C 2.452 178.482 176.094 -0.107 0.000 1.043 1132 V CA 2.363 64.533 62.300 -0.217 0.000 1.014 1132 V CB -0.575 31.142 31.823 -0.176 0.000 0.645 1132 V HN 0.550 nan 8.190 nan 0.000 0.447 1133 K N -0.271 120.078 120.400 -0.086 0.000 2.097 1133 K HA -0.186 4.133 4.320 -0.002 0.000 0.206 1133 K C 2.052 178.639 176.600 -0.022 0.000 1.049 1133 K CA 1.538 57.797 56.287 -0.046 0.000 0.933 1133 K CB -0.164 32.311 32.500 -0.042 0.000 0.717 1133 K HN 0.519 nan 8.250 nan 0.000 0.442 1134 E N 0.340 120.537 120.200 -0.004 0.000 2.338 1134 E HA -0.099 4.250 4.350 -0.002 0.000 0.197 1134 E C 1.313 177.958 176.600 0.076 0.000 1.007 1134 E CA 0.441 56.877 56.400 0.061 0.000 0.849 1134 E CB 0.126 29.932 29.700 0.177 0.000 0.774 1134 E HN 0.233 nan 8.360 nan 0.000 0.506 1135 N N 0.258 118.985 118.700 0.045 0.000 2.395 1135 N HA -0.042 4.697 4.740 -0.002 0.000 0.175 1135 N C 1.425 176.931 175.510 -0.007 0.000 1.029 1135 N CA 0.584 53.649 53.050 0.025 0.000 0.897 1135 N CB 0.229 38.710 38.487 -0.010 0.000 0.991 1135 N HN 0.192 nan 8.380 nan 0.000 0.441 1136 Q N 0.437 120.228 119.800 -0.015 0.000 2.008 1136 Q HA 0.024 4.363 4.340 -0.002 0.000 0.196 1136 Q C 1.867 177.859 176.000 -0.013 0.000 0.973 1136 Q CA 0.897 56.689 55.803 -0.018 0.000 0.826 1136 Q CB -0.002 28.724 28.738 -0.020 0.000 0.894 1136 Q HN 0.086 nan 8.270 nan 0.000 0.439 1137 K N 1.224 121.618 120.400 -0.010 0.000 2.152 1137 K HA -0.204 4.115 4.320 -0.002 0.000 0.206 1137 K C 1.976 178.570 176.600 -0.010 0.000 1.048 1137 K CA 1.256 57.537 56.287 -0.010 0.000 0.933 1137 K CB -0.047 32.448 32.500 -0.008 0.000 0.721 1137 K HN 0.061 nan 8.250 nan 0.000 0.447 1138 R N 0.257 120.752 120.500 -0.009 0.000 2.090 1138 R HA -0.065 4.274 4.340 -0.002 0.000 0.228 1138 R C 2.268 178.559 176.300 -0.015 0.000 1.110 1138 R CA 1.165 57.257 56.100 -0.014 0.000 0.973 1138 R CB -0.007 30.283 30.300 -0.018 0.000 0.869 1138 R HN 0.023 nan 8.270 nan 0.000 0.440 1139 R N 0.322 120.813 120.500 -0.015 0.000 2.193 1139 R HA -0.014 4.325 4.340 -0.002 0.000 0.213 1139 R C 1.700 177.991 176.300 -0.014 0.000 1.055 1139 R CA 1.050 57.140 56.100 -0.016 0.000 0.995 1139 R CB 0.209 30.497 30.300 -0.020 0.000 0.893 1139 R HN 0.311 nan 8.270 nan 0.000 0.459 1140 E N -1.228 118.964 120.200 -0.013 0.000 2.072 1140 E HA -0.104 4.245 4.350 -0.002 0.000 0.190 1140 E C 1.493 178.086 176.600 -0.011 0.000 0.982 1140 E CA 1.587 57.980 56.400 -0.012 0.000 0.803 1140 E CB 0.184 29.877 29.700 -0.011 0.000 0.755 1140 E HN 0.298 nan 8.360 nan 0.000 0.453 1141 T N 1.340 115.887 114.554 -0.011 0.000 2.737 1141 T HA -0.127 4.222 4.350 -0.002 0.000 0.265 1141 T C 1.592 176.286 174.700 -0.010 0.000 1.038 1141 T CA 0.844 62.937 62.100 -0.011 0.000 1.144 1141 T CB -0.138 68.722 68.868 -0.012 0.000 0.866 1141 T HN 0.121 nan 8.240 nan 0.000 0.434 1142 E N 0.929 121.122 120.200 -0.011 0.000 2.049 1142 E HA -0.216 4.133 4.350 -0.002 0.000 0.198 1142 E C 2.307 178.902 176.600 -0.009 0.000 1.007 1142 E CA 1.454 57.847 56.400 -0.010 0.000 0.809 1142 E CB -0.238 29.456 29.700 -0.012 0.000 0.749 1142 E HN 0.445 nan 8.360 nan 0.000 0.450 1143 E N 1.103 121.297 120.200 -0.010 0.000 2.072 1143 E HA -0.123 4.226 4.350 -0.002 0.000 0.191 1143 E C 1.908 178.503 176.600 -0.008 0.000 0.985 1143 E CA 1.272 57.667 56.400 -0.009 0.000 0.801 1143 E CB 0.031 29.725 29.700 -0.010 0.000 0.750 1143 E HN 0.094 nan 8.360 nan 0.000 0.452 1144 K N -0.296 120.099 120.400 -0.008 0.000 2.026 1144 K HA -0.113 4.206 4.320 -0.002 0.000 0.208 1144 K C 2.197 178.793 176.600 -0.006 0.000 1.048 1144 K CA 1.567 57.849 56.287 -0.007 0.000 0.929 1144 K CB -0.235 32.261 32.500 -0.007 0.000 0.713 1144 K HN 0.262 nan 8.250 nan 0.000 0.439 1145 M N 0.500 120.096 119.600 -0.007 0.000 2.419 1145 M HA -0.092 4.387 4.480 -0.002 0.000 0.264 1145 M C 1.771 178.068 176.300 -0.005 0.000 1.082 1145 M CA 0.952 56.248 55.300 -0.006 0.000 1.119 1145 M CB 0.119 32.715 32.600 -0.007 0.000 1.398 1145 M HN 0.012 nan 8.290 nan 0.000 0.453 1146 R N 0.555 121.051 120.500 -0.006 0.000 2.064 1146 R HA -0.032 4.307 4.340 -0.002 0.000 0.228 1146 R C 2.055 178.353 176.300 -0.004 0.000 1.144 1146 R CA 1.437 57.534 56.100 -0.005 0.000 0.932 1146 R CB -0.888 29.409 30.300 -0.005 0.000 0.833 1146 R HN 0.423 nan 8.270 nan 0.000 0.429 1147 R N 0.226 120.723 120.500 -0.005 0.000 2.105 1147 R HA -0.071 4.268 4.340 -0.002 0.000 0.239 1147 R C 2.158 178.456 176.300 -0.003 0.000 1.135 1147 R CA 1.370 57.468 56.100 -0.004 0.000 0.967 1147 R CB -0.354 29.944 30.300 -0.005 0.000 0.861 1147 R HN 0.219 nan 8.270 nan 0.000 0.442 1148 A N 1.155 123.973 122.820 -0.004 0.000 1.933 1148 A HA -0.173 4.146 4.320 -0.002 0.000 0.218 1148 A C 2.017 179.599 177.584 -0.003 0.000 1.175 1148 A CA 1.254 53.289 52.037 -0.003 0.000 0.628 1148 A CB -0.244 18.754 19.000 -0.004 0.000 0.814 1148 A HN 0.164 nan 8.150 nan 0.000 0.444 1149 K N -0.605 119.793 120.400 -0.003 0.000 2.296 1149 K HA 0.165 4.484 4.320 -0.002 0.000 0.200 1149 K C 1.634 178.233 176.600 -0.002 0.000 1.048 1149 K CA 0.345 56.630 56.287 -0.002 0.000 0.966 1149 K CB -0.136 32.363 32.500 -0.002 0.000 0.754 1149 K HN 0.487 nan 8.250 nan 0.000 0.466 1150 L N -0.157 121.065 121.223 -0.002 0.000 2.179 1150 L HA -0.037 4.302 4.340 -0.002 0.000 0.208 1150 L C 2.355 179.224 176.870 -0.001 0.000 1.096 1150 L CA 0.774 55.613 54.840 -0.002 0.000 0.779 1150 L CB -0.337 41.721 42.059 -0.002 0.000 0.922 1150 L HN 0.174 nan 8.230 nan 0.000 0.443 1151 A N -0.236 122.583 122.820 -0.001 0.000 1.969 1151 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 1151 A C 2.368 179.952 177.584 -0.001 0.000 1.169 1151 A CA 1.364 53.400 52.037 -0.001 0.000 0.635 1151 A CB -0.230 18.769 19.000 -0.002 0.000 0.810 1151 A HN 0.236 nan 8.150 nan 0.000 0.445 1152 K N -0.454 119.945 120.400 -0.001 0.000 2.186 1152 K HA -0.037 4.282 4.320 -0.002 0.000 0.202 1152 K C 1.739 178.339 176.600 0.000 0.000 1.052 1152 K CA 1.000 57.287 56.287 -0.000 0.000 0.965 1152 K CB -0.021 32.479 32.500 -0.001 0.000 0.746 1152 K HN 0.602 nan 8.250 nan 0.000 0.457 1153 E N 0.493 120.693 120.200 0.000 0.000 2.107 1153 E HA -0.182 4.167 4.350 -0.002 0.000 0.191 1153 E C 1.889 178.490 176.600 0.001 0.000 0.982 1153 E CA 0.982 57.383 56.400 0.000 0.000 0.809 1153 E CB 0.131 29.831 29.700 0.000 0.000 0.756 1153 E HN 0.173 nan 8.360 nan 0.000 0.459 1154 K N 0.974 121.374 120.400 0.001 0.000 2.097 1154 K HA -0.067 4.253 4.320 -0.002 0.000 0.205 1154 K C 2.044 178.645 176.600 0.002 0.000 1.050 1154 K CA 1.152 57.439 56.287 0.001 0.000 0.938 1154 K CB -0.041 32.460 32.500 0.001 0.000 0.718 1154 K HN 0.059 nan 8.250 nan 0.000 0.442 1155 A N 0.849 123.670 122.820 0.002 0.000 1.968 1155 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 1155 A C 1.959 179.544 177.584 0.003 0.000 1.169 1155 A CA 1.638 53.676 52.037 0.002 0.000 0.638 1155 A CB -0.473 18.528 19.000 0.002 0.000 0.812 1155 A HN 0.524 nan 8.150 nan 0.000 0.446 1156 E N 0.673 120.875 120.200 0.002 0.000 2.106 1156 E HA -0.169 4.180 4.350 -0.002 0.000 0.192 1156 E C 1.920 178.522 176.600 0.003 0.000 0.984 1156 E CA 1.736 58.137 56.400 0.003 0.000 0.806 1156 E CB -0.254 29.447 29.700 0.002 0.000 0.750 1156 E HN 0.572 nan 8.360 nan 0.000 0.458 1157 K N 0.508 120.910 120.400 0.003 0.000 1.978 1157 K HA -0.234 4.085 4.320 -0.002 0.000 0.214 1157 K C 2.069 178.671 176.600 0.004 0.000 1.049 1157 K CA 1.929 58.218 56.287 0.003 0.000 0.939 1157 K CB -0.240 32.261 32.500 0.002 0.000 0.721 1157 K HN 0.150 nan 8.250 nan 0.000 0.441 1158 E N 0.026 120.228 120.200 0.004 0.000 2.187 1158 E HA -0.237 4.112 4.350 -0.002 0.000 0.199 1158 E C 2.255 178.859 176.600 0.007 0.000 1.004 1158 E CA 1.005 57.408 56.400 0.006 0.000 0.813 1158 E CB -0.036 29.667 29.700 0.006 0.000 0.736 1158 E HN 0.200 nan 8.360 nan 0.000 0.468 1159 R N 0.744 121.248 120.500 0.007 0.000 2.062 1159 R HA -0.083 4.256 4.340 -0.002 0.000 0.231 1159 R C 2.258 178.562 176.300 0.008 0.000 1.136 1159 R CA 0.820 56.925 56.100 0.008 0.000 0.948 1159 R CB -0.572 29.732 30.300 0.006 0.000 0.845 1159 R HN 0.240 nan 8.270 nan 0.000 0.430 1160 L N 1.484 122.710 121.223 0.006 0.000 2.131 1160 L HA -0.129 4.210 4.340 -0.002 0.000 0.210 1160 L C 1.958 178.831 176.870 0.005 0.000 1.092 1160 L CA 1.722 56.565 54.840 0.005 0.000 0.759 1160 L CB -0.681 41.380 42.059 0.003 0.000 0.903 1160 L HN 0.307 nan 8.230 nan 0.000 0.435 1161 E N -0.500 119.704 120.200 0.005 0.000 2.208 1161 E HA -0.237 4.112 4.350 -0.002 0.000 0.193 1161 E C 2.081 178.685 176.600 0.008 0.000 0.988 1161 E CA 0.637 57.040 56.400 0.005 0.000 0.828 1161 E CB 0.197 29.900 29.700 0.005 0.000 0.763 1161 E HN 0.321 nan 8.360 nan 0.000 0.478 1162 K N 0.143 120.550 120.400 0.011 0.000 2.228 1162 K HA -0.115 4.204 4.320 -0.002 0.000 0.202 1162 K C 2.121 178.730 176.600 0.014 0.000 1.051 1162 K CA 0.629 56.926 56.287 0.016 0.000 0.960 1162 K CB 0.234 32.746 32.500 0.020 0.000 0.743 1162 K HN 0.034 nan 8.250 nan 0.000 0.458 1163 Q N 0.762 120.568 119.800 0.010 0.000 2.020 1163 Q HA -0.132 4.207 4.340 -0.002 0.000 0.198 1163 Q C 1.999 178.000 176.000 0.002 0.000 0.974 1163 Q CA 1.486 57.294 55.803 0.008 0.000 0.829 1163 Q CB 0.018 28.760 28.738 0.006 0.000 0.894 1163 Q HN 0.440 nan 8.270 nan 0.000 0.433 1164 Q N 0.306 120.107 119.800 0.001 0.000 2.135 1164 Q HA -0.156 4.183 4.340 -0.002 0.000 0.204 1164 Q C 2.026 178.022 176.000 -0.005 0.000 0.981 1164 Q CA 1.190 56.992 55.803 -0.002 0.000 0.856 1164 Q CB -0.016 28.721 28.738 -0.001 0.000 0.902 1164 Q HN 0.230 nan 8.270 nan 0.000 0.425 1165 K N 0.238 120.635 120.400 -0.004 0.000 2.103 1165 K HA -0.169 4.150 4.320 -0.002 0.000 0.207 1165 K C 2.070 178.659 176.600 -0.018 0.000 1.048 1165 K CA 1.036 57.319 56.287 -0.008 0.000 0.930 1165 K CB -0.075 32.425 32.500 -0.001 0.000 0.716 1165 K HN 0.053 nan 8.250 nan 0.000 0.444 1166 R N 1.119 121.610 120.500 -0.016 0.000 2.161 1166 R HA -0.049 4.290 4.340 -0.002 0.000 0.213 1166 R C 1.394 177.678 176.300 -0.028 0.000 1.055 1166 R CA 0.879 56.961 56.100 -0.029 0.000 0.996 1166 R CB 0.259 30.548 30.300 -0.017 0.000 0.901 1166 R HN 0.179 nan 8.270 nan 0.000 0.456 1167 E N 0.147 120.336 120.200 -0.017 0.000 2.347 1167 E HA -0.134 4.215 4.350 -0.002 0.000 0.196 1167 E C 1.076 177.665 176.600 -0.018 0.000 1.008 1167 E CA 0.503 56.894 56.400 -0.016 0.000 0.852 1167 E CB 0.213 29.907 29.700 -0.010 0.000 0.783 1167 E HN 0.378 nan 8.360 nan 0.000 0.505 1168 Q N 0.071 119.859 119.800 -0.020 0.000 2.452 1168 Q HA 0.011 4.351 4.340 -0.002 0.000 0.214 1168 Q C 1.322 177.305 176.000 -0.028 0.000 0.966 1168 Q CA 0.276 56.066 55.803 -0.021 0.000 0.964 1168 Q CB 0.271 28.997 28.738 -0.019 0.000 0.992 1168 Q HN 0.356 nan 8.270 nan 0.000 0.517 1169 L N -1.231 119.973 121.223 -0.033 0.000 2.526 1169 L HA 0.307 4.646 4.340 -0.002 0.000 0.210 1169 L C 0.603 177.453 176.870 -0.032 0.000 1.048 1169 L CA 0.280 55.095 54.840 -0.040 0.000 0.852 1169 L CB 0.794 42.818 42.059 -0.059 0.000 1.128 1169 L HN 0.082 nan 8.230 nan 0.000 0.482 1170 I N 0.043 120.597 120.570 -0.027 0.000 2.569 1170 I HA 0.197 4.366 4.170 -0.002 0.000 0.290 1170 I C -1.377 174.731 176.117 -0.015 0.000 1.088 1170 I CA -0.431 60.857 61.300 -0.021 0.000 1.047 1170 I CB 2.711 40.699 38.000 -0.021 0.000 1.237 1170 I HN -0.106 nan 8.210 nan 0.000 0.421 1171 D N 7.325 127.717 120.400 -0.013 0.000 2.493 1171 D HA 0.220 4.859 4.640 -0.002 0.000 0.235 1171 D C 0.700 176.995 176.300 -0.008 0.000 1.117 1171 D CA -0.341 53.654 54.000 -0.010 0.000 0.930 1171 D CB 0.807 41.601 40.800 -0.009 0.000 1.010 1171 D HN 0.280 nan 8.370 nan 0.000 0.514 1172 M N 1.899 121.495 119.600 -0.007 0.000 2.788 1172 M HA -0.005 4.474 4.480 -0.002 0.000 0.224 1172 M C 0.176 176.473 176.300 -0.005 0.000 1.078 1172 M CA 0.461 55.758 55.300 -0.006 0.000 1.046 1172 M CB -0.524 32.073 32.600 -0.005 0.000 1.690 1172 M HN 0.331 nan 8.290 nan 0.000 0.532 1173 N N -0.610 118.087 118.700 -0.005 0.000 3.379 1173 N HA 0.195 4.934 4.740 -0.002 0.000 0.197 1173 N C 1.412 176.919 175.510 -0.004 0.000 1.350 1173 N CA 0.613 53.660 53.050 -0.004 0.000 1.140 1173 N CB -0.727 37.758 38.487 -0.004 0.000 1.164 1173 N HN 0.116 nan 8.380 nan 0.000 0.627 1174 A N 1.718 124.536 122.820 -0.004 0.000 1.873 1174 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 1174 A C 0.965 178.546 177.584 -0.004 0.000 1.193 1174 A CA 1.319 53.354 52.037 -0.004 0.000 0.629 1174 A CB -0.779 18.219 19.000 -0.004 0.000 0.826 1174 A HN 0.463 nan 8.150 nan 0.000 0.447 1175 E N -1.209 118.988 120.200 -0.005 0.000 2.371 1175 E HA 0.388 4.737 4.350 -0.002 0.000 0.257 1175 E C 1.177 177.774 176.600 -0.004 0.000 1.134 1175 E CA -0.161 56.236 56.400 -0.005 0.000 0.919 1175 E CB 0.482 30.178 29.700 -0.005 0.000 1.025 1175 E HN 0.354 nan 8.360 nan 0.000 0.438 1176 G N 0.790 109.588 108.800 -0.004 0.000 2.937 1176 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.160 1176 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.160 1176 G C -0.316 174.582 174.900 -0.004 0.000 1.863 1176 G CA 0.178 45.276 45.100 -0.004 0.000 0.941 1176 G HN 0.510 nan 8.290 nan 0.000 0.419 1177 D N -0.107 120.291 120.400 -0.004 0.000 2.736 1177 D HA 0.458 5.097 4.640 -0.002 0.000 0.243 1177 D C -0.782 175.515 176.300 -0.004 0.000 1.304 1177 D CA -0.105 53.892 54.000 -0.004 0.000 0.934 1177 D CB 2.449 43.247 40.800 -0.003 0.000 1.382 1177 D HN 0.366 nan 8.370 nan 0.000 0.571 1178 E N -0.540 119.658 120.200 -0.005 0.000 2.456 1178 E HA 0.350 4.699 4.350 -0.002 0.000 0.276 1178 E C 0.187 176.783 176.600 -0.005 0.000 0.981 1178 E CA -0.566 55.831 56.400 -0.005 0.000 0.814 1178 E CB 1.940 31.636 29.700 -0.005 0.000 1.382 1178 E HN 0.315 nan 8.360 nan 0.000 0.459 1179 T N -2.591 111.960 114.554 -0.005 0.000 3.134 1179 T HA 0.202 4.551 4.350 -0.002 0.000 0.260 1179 T C 1.301 175.997 174.700 -0.006 0.000 1.027 1179 T CA 0.272 62.369 62.100 -0.005 0.000 0.913 1179 T CB 0.212 69.077 68.868 -0.004 0.000 1.046 1179 T HN 0.483 nan 8.240 nan 0.000 0.553 1180 G N 2.357 111.153 108.800 -0.007 0.000 2.484 1180 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.215 1180 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.215 1180 G C 1.364 176.258 174.900 -0.011 0.000 1.219 1180 G CA 1.268 46.363 45.100 -0.009 0.000 0.791 1180 G HN 0.412 nan 8.290 nan 0.000 0.550 1181 V N 1.054 120.962 119.914 -0.011 0.000 2.477 1181 V HA -0.471 3.648 4.120 -0.002 0.000 0.216 1181 V C 2.524 178.609 176.094 -0.015 0.000 0.995 1181 V CA 3.520 65.812 62.300 -0.013 0.000 1.088 1181 V CB -1.218 30.599 31.823 -0.010 0.000 0.980 1181 V HN 0.498 nan 8.190 nan 0.000 0.487 1182 M N 0.312 119.905 119.600 -0.012 0.000 2.067 1182 M HA -0.131 4.348 4.480 -0.002 0.000 0.260 1182 M C 1.757 178.048 176.300 -0.014 0.000 1.069 1182 M CA 2.250 57.542 55.300 -0.012 0.000 1.117 1182 M CB -0.955 31.640 32.600 -0.008 0.000 1.334 1182 M HN 0.532 nan 8.290 nan 0.000 0.407 1183 D N -0.702 119.691 120.400 -0.012 0.000 2.221 1183 D HA -0.111 4.529 4.640 -0.002 0.000 0.204 1183 D C 1.853 178.143 176.300 -0.018 0.000 0.982 1183 D CA 1.441 55.434 54.000 -0.012 0.000 0.857 1183 D CB -0.090 40.705 40.800 -0.009 0.000 0.934 1183 D HN 0.399 nan 8.370 nan 0.000 0.475 1184 S N 0.126 115.813 115.700 -0.021 0.000 2.436 1184 S HA 0.046 4.515 4.470 -0.002 0.000 0.228 1184 S C 2.143 176.720 174.600 -0.039 0.000 1.014 1184 S CA 0.125 58.309 58.200 -0.027 0.000 0.950 1184 S CB 0.222 63.407 63.200 -0.025 0.000 0.784 1184 S HN 0.246 nan 8.310 nan 0.000 0.504 1185 L N 0.776 121.976 121.223 -0.039 0.000 2.131 1185 L HA 0.064 4.403 4.340 -0.002 0.000 0.206 1185 L C 1.925 178.759 176.870 -0.059 0.000 1.087 1185 L CA 0.891 55.699 54.840 -0.054 0.000 0.767 1185 L CB -0.374 41.659 42.059 -0.044 0.000 0.917 1185 L HN 0.292 nan 8.230 nan 0.000 0.441 1186 L N -0.955 120.246 121.223 -0.036 0.000 2.217 1186 L HA -0.110 4.229 4.340 -0.002 0.000 0.211 1186 L C 2.594 179.448 176.870 -0.027 0.000 1.107 1186 L CA 0.583 55.408 54.840 -0.025 0.000 0.783 1186 L CB -0.412 41.641 42.059 -0.009 0.000 0.919 1186 L HN 0.240 nan 8.230 nan 0.000 0.442 1187 E N 0.807 120.989 120.200 -0.030 0.000 2.047 1187 E HA -0.184 4.165 4.350 -0.002 0.000 0.191 1187 E C 2.241 178.815 176.600 -0.042 0.000 0.987 1187 E CA 1.438 57.822 56.400 -0.027 0.000 0.799 1187 E CB 0.091 29.777 29.700 -0.024 0.000 0.752 1187 E HN 0.419 nan 8.360 nan 0.000 0.449 1188 A N 0.739 123.518 122.820 -0.068 0.000 1.969 1188 A HA -0.124 4.195 4.320 -0.002 0.000 0.218 1188 A C 2.153 179.638 177.584 -0.166 0.000 1.169 1188 A CA 0.754 52.728 52.037 -0.105 0.000 0.635 1188 A CB -0.405 18.523 19.000 -0.120 0.000 0.810 1188 A HN 0.236 nan 8.150 nan 0.000 0.445 1189 L N -0.480 120.645 121.223 -0.164 0.000 2.093 1189 L HA -0.131 4.208 4.340 -0.002 0.000 0.208 1189 L C 2.503 179.364 176.870 -0.015 0.000 1.085 1189 L CA 2.195 56.924 54.840 -0.185 0.000 0.755 1189 L CB -0.512 41.495 42.059 -0.087 0.000 0.904 1189 L HN 0.585 nan 8.230 nan 0.000 0.435 1190 Q N -1.424 118.376 119.800 -0.001 0.000 2.187 1190 Q HA -0.116 4.223 4.340 -0.002 0.000 0.199 1190 Q C 2.020 178.044 176.000 0.039 0.000 0.957 1190 Q CA 1.324 57.148 55.803 0.036 0.000 0.857 1190 Q CB 0.111 28.860 28.738 0.019 0.000 0.929 1190 Q HN 0.630 nan 8.270 nan 0.000 0.453 1191 S N -1.986 113.720 115.700 0.009 0.000 2.558 1191 S HA 0.189 4.658 4.470 -0.002 0.000 0.217 1191 S C 1.350 175.970 174.600 0.032 0.000 0.975 1191 S CA 0.491 58.699 58.200 0.013 0.000 0.912 1191 S CB 0.581 63.777 63.200 -0.008 0.000 0.776 1191 S HN 0.579 nan 8.310 nan 0.000 0.526 1192 G N 0.832 109.661 108.800 0.048 0.000 2.179 1192 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.260 1192 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.260 1192 G C 0.964 175.869 174.900 0.009 0.000 0.977 1192 G CA 0.112 45.287 45.100 0.126 0.000 0.641 1192 G HN 1.231 nan 8.290 nan 0.000 0.533 1193 A N -0.030 122.747 122.820 -0.072 0.000 2.121 1193 A HA 0.525 4.844 4.320 -0.002 0.000 0.218 1193 A C 2.650 180.131 177.584 -0.172 0.000 1.154 1193 A CA 2.076 54.061 52.037 -0.087 0.000 0.679 1193 A CB -0.485 18.473 19.000 -0.070 0.000 0.795 1193 A HN 1.732 nan 8.150 nan 0.000 0.458 1194 A N -0.671 121.925 122.820 -0.374 0.000 1.970 1194 A HA 0.251 4.570 4.320 -0.002 0.000 0.216 1194 A C 0.588 177.865 177.584 -0.512 0.000 1.170 1194 A CA 0.343 52.058 52.037 -0.536 0.000 0.645 1194 A CB -0.381 18.126 19.000 -0.822 0.000 0.816 1194 A HN 0.461 nan 8.150 nan 0.000 0.447 1195 F N 1.354 121.304 119.950 -0.001 0.000 2.359 1195 F HA 0.422 4.948 4.527 -0.002 0.000 0.355 1195 F C 0.484 176.283 175.800 -0.001 0.000 1.132 1195 F CA -0.914 57.086 58.000 -0.001 0.000 1.246 1195 F CB 0.458 39.457 39.000 -0.001 0.000 1.569 1195 F HN -0.118 nan 8.300 nan 0.000 0.561 1196 R N 1.734 122.294 120.500 0.100 0.000 2.490 1196 R HA 0.369 4.708 4.340 -0.002 0.000 0.278 1196 R C 0.531 176.874 176.300 0.071 0.000 1.069 1196 R CA -0.638 55.501 56.100 0.065 0.000 1.080 1196 R CB 1.029 31.343 30.300 0.025 0.000 1.030 1196 R HN 0.596 nan 8.270 nan 0.000 0.491 1197 R N 1.225 121.758 120.500 0.055 0.000 2.726 1197 R HA 0.086 4.425 4.340 -0.002 0.000 0.272 1197 R C 0.532 176.851 176.300 0.031 0.000 1.097 1197 R CA -0.022 56.103 56.100 0.042 0.000 1.198 1197 R CB 0.689 31.008 30.300 0.032 0.000 1.114 1197 R HN 0.425 nan 8.270 nan 0.000 0.550 1198 K N 0.000 120.414 120.400 0.024 0.000 2.780 1198 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1198 K CA 0.000 56.298 56.287 0.018 0.000 0.838 1198 K CB 0.000 32.509 32.500 0.016 0.000 1.064 1198 K HN 0.000 nan 8.250 nan 0.000 0.543