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 3fbh_1_I DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.877 125.694 122.820 -0.004 0.000 2.565 3 A HA 0.508 4.828 4.320 0.000 0.000 0.237 3 A C 0.273 177.853 177.584 -0.006 0.000 1.053 3 A CA 0.507 52.544 52.037 0.000 0.000 0.755 3 A CB 0.028 19.030 19.000 0.005 0.000 0.980 3 A HN 0.603 nan 8.150 nan 0.000 0.506 4 K N 1.572 121.972 120.400 0.000 0.000 2.259 4 K HA 0.402 4.722 4.320 0.000 0.000 0.249 4 K C -1.274 175.333 176.600 0.012 0.000 0.942 4 K CA -0.649 55.632 56.287 -0.010 0.000 0.816 4 K CB 2.059 34.550 32.500 -0.015 0.000 1.155 4 K HN 0.793 nan 8.250 nan 0.000 0.428 5 D N 1.193 121.596 120.400 0.004 0.000 2.217 5 D HA 0.385 5.025 4.640 0.000 0.000 0.243 5 D C -1.169 175.210 176.300 0.132 0.000 1.054 5 D CA -0.576 53.471 54.000 0.078 0.000 0.838 5 D CB 1.248 42.109 40.800 0.102 0.000 1.162 5 D HN 0.080 nan 8.370 nan 0.000 0.472 6 V N 3.907 123.928 119.914 0.178 0.000 2.656 6 V HA 0.523 4.643 4.120 0.000 0.000 0.307 6 V C -0.055 176.070 176.094 0.051 0.000 1.051 6 V CA -0.844 61.516 62.300 0.099 0.000 0.893 6 V CB 1.892 33.700 31.823 -0.025 0.000 0.999 6 V HN 0.471 nan 8.190 nan 0.000 0.426 7 K N 3.104 123.437 120.400 -0.112 0.000 2.426 7 K HA 0.769 5.089 4.320 0.000 0.000 0.251 7 K C -1.694 174.638 176.600 -0.446 0.000 0.941 7 K CA -0.475 55.642 56.287 -0.284 0.000 0.808 7 K CB 2.540 34.637 32.500 -0.670 0.000 1.265 7 K HN 0.477 nan 8.250 nan 0.000 0.432 8 F N -0.229 119.689 119.950 -0.054 0.000 2.611 8 F HA 0.438 4.965 4.527 0.000 0.000 0.324 8 F C 1.326 177.105 175.800 -0.036 0.000 1.061 8 F CA -0.033 57.954 58.000 -0.022 0.000 0.954 8 F CB 1.565 40.557 39.000 -0.012 0.000 1.301 8 F HN 0.797 nan 8.300 nan 0.000 0.482 9 G N 1.409 110.329 108.800 0.200 0.000 2.698 9 G HA2 -0.461 3.499 3.960 0.000 0.000 0.346 9 G HA3 -0.461 3.499 3.960 0.000 0.000 0.346 9 G C 1.179 176.107 174.900 0.047 0.000 1.287 9 G CA 1.082 46.244 45.100 0.103 0.000 0.990 9 G HN 0.831 nan 8.290 nan 0.000 0.545 10 N N 0.158 118.876 118.700 0.030 0.000 2.142 10 N HA -0.144 4.596 4.740 0.000 0.000 0.186 10 N C 1.922 177.422 175.510 -0.017 0.000 1.023 10 N CA 1.727 54.781 53.050 0.006 0.000 0.852 10 N CB -0.178 38.310 38.487 0.002 0.000 0.998 10 N HN 0.546 nan 8.380 nan 0.000 0.424 11 D N 0.551 120.939 120.400 -0.021 0.000 2.126 11 D HA -0.146 4.494 4.640 0.000 0.000 0.190 11 D C 1.857 178.075 176.300 -0.137 0.000 1.001 11 D CA 1.689 55.646 54.000 -0.072 0.000 0.841 11 D CB -0.271 40.489 40.800 -0.066 0.000 0.949 11 D HN 0.389 nan 8.370 nan 0.000 0.446 12 A N 0.220 122.959 122.820 -0.134 0.000 1.902 12 A HA -0.176 4.144 4.320 0.000 0.000 0.217 12 A C 2.278 179.825 177.584 -0.061 0.000 1.181 12 A CA 1.588 53.532 52.037 -0.154 0.000 0.623 12 A CB -0.529 18.415 19.000 -0.093 0.000 0.818 12 A HN 0.222 nan 8.150 nan 0.000 0.443 13 R N -0.315 120.168 120.500 -0.028 0.000 2.120 13 R HA -0.116 4.224 4.340 0.000 0.000 0.234 13 R C 2.045 178.340 176.300 -0.007 0.000 1.123 13 R CA 1.564 57.661 56.100 -0.005 0.000 0.975 13 R CB -0.628 29.674 30.300 0.003 0.000 0.866 13 R HN 0.604 nan 8.270 nan 0.000 0.446 14 V N -0.757 119.143 119.914 -0.023 0.000 2.548 14 V HA -0.135 3.985 4.120 0.000 0.000 0.249 14 V C 1.936 178.023 176.094 -0.013 0.000 1.055 14 V CA 1.323 63.612 62.300 -0.019 0.000 1.065 14 V CB -0.392 31.413 31.823 -0.029 0.000 0.681 14 V HN 0.084 nan 8.190 nan 0.000 0.462 15 K N 0.174 120.561 120.400 -0.023 0.000 2.031 15 K HA 0.049 4.369 4.320 0.000 0.000 0.205 15 K C 2.260 178.885 176.600 0.042 0.000 1.049 15 K CA 1.773 58.066 56.287 0.011 0.000 0.939 15 K CB -0.481 32.028 32.500 0.015 0.000 0.717 15 K HN 0.468 nan 8.250 nan 0.000 0.438 16 M N 0.586 120.213 119.600 0.045 0.000 2.073 16 M HA -0.231 4.249 4.480 0.000 0.000 0.258 16 M C 2.321 178.638 176.300 0.029 0.000 1.070 16 M CA 1.434 56.762 55.300 0.046 0.000 1.103 16 M CB -0.454 32.170 32.600 0.040 0.000 1.321 16 M HN 0.034 nan 8.290 nan 0.000 0.405 17 L N 0.341 121.575 121.223 0.019 0.000 2.042 17 L HA -0.208 4.132 4.340 0.000 0.000 0.210 17 L C 2.491 179.370 176.870 0.014 0.000 1.076 17 L CA 1.896 56.744 54.840 0.014 0.000 0.749 17 L CB -0.649 41.415 42.059 0.009 0.000 0.893 17 L HN 0.170 nan 8.230 nan 0.000 0.432 18 R N -0.346 120.162 120.500 0.014 0.000 2.105 18 R HA -0.111 4.229 4.340 0.000 0.000 0.239 18 R C 2.150 178.461 176.300 0.019 0.000 1.135 18 R CA 1.650 57.759 56.100 0.015 0.000 0.967 18 R CB -1.138 29.172 30.300 0.017 0.000 0.861 18 R HN 0.458 nan 8.270 nan 0.000 0.442 19 G N -0.396 108.419 108.800 0.026 0.000 2.402 19 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 19 G HA3 -0.203 3.757 3.960 0.000 0.000 0.216 19 G C 1.366 176.275 174.900 0.016 0.000 1.162 19 G CA 1.049 46.164 45.100 0.025 0.000 0.777 19 G HN 0.353 nan 8.290 nan 0.000 0.539 20 V N -1.192 118.731 119.914 0.015 0.000 2.719 20 V HA 0.014 4.134 4.120 0.000 0.000 0.252 20 V C 2.188 178.287 176.094 0.008 0.000 1.065 20 V CA 1.542 63.849 62.300 0.011 0.000 1.086 20 V CB -0.447 31.384 31.823 0.012 0.000 0.700 20 V HN 0.137 nan 8.190 nan 0.000 0.467 21 N N 1.425 120.131 118.700 0.008 0.000 2.106 21 N HA -0.077 4.663 4.740 0.000 0.000 0.188 21 N C 1.903 177.416 175.510 0.005 0.000 1.029 21 N CA 1.809 54.863 53.050 0.006 0.000 0.848 21 N CB -0.533 37.958 38.487 0.006 0.000 1.007 21 N HN 0.475 nan 8.380 nan 0.000 0.423 22 V N 2.006 121.924 119.914 0.005 0.000 2.231 22 V HA -0.235 3.885 4.120 0.000 0.000 0.248 22 V C 2.476 178.570 176.094 0.001 0.000 1.054 22 V CA 1.445 63.747 62.300 0.003 0.000 1.015 22 V CB -0.757 31.069 31.823 0.004 0.000 0.638 22 V HN 0.196 nan 8.190 nan 0.000 0.444 23 L N 0.783 122.007 121.223 0.001 0.000 1.970 23 L HA -0.153 4.187 4.340 0.000 0.000 0.212 23 L C 2.499 179.367 176.870 -0.002 0.000 1.071 23 L CA 2.583 57.422 54.840 -0.002 0.000 0.751 23 L CB -1.202 40.856 42.059 -0.002 0.000 0.889 23 L HN 0.240 nan 8.230 nan 0.000 0.432 24 A N -0.555 122.265 122.820 0.000 0.000 1.869 24 A HA -0.315 4.005 4.320 0.000 0.000 0.218 24 A C 2.028 179.612 177.584 -0.000 0.000 1.203 24 A CA 2.354 54.391 52.037 0.001 0.000 0.638 24 A CB -1.298 17.704 19.000 0.003 0.000 0.831 24 A HN 0.599 nan 8.150 nan 0.000 0.450 25 D N -0.432 119.968 120.400 0.000 0.000 2.218 25 D HA 0.028 4.668 4.640 0.000 0.000 0.204 25 D C 2.023 178.322 176.300 -0.001 0.000 0.976 25 D CA 1.353 55.353 54.000 0.000 0.000 0.853 25 D CB -0.280 40.520 40.800 0.001 0.000 0.939 25 D HN 0.471 nan 8.370 nan 0.000 0.481 26 A N -0.132 122.687 122.820 -0.002 0.000 2.016 26 A HA 0.000 4.320 4.320 0.000 0.000 0.217 26 A C 2.216 179.797 177.584 -0.005 0.000 1.162 26 A CA 0.564 52.599 52.037 -0.004 0.000 0.662 26 A CB -0.006 18.991 19.000 -0.005 0.000 0.812 26 A HN 0.156 nan 8.150 nan 0.000 0.450 27 V N 0.657 120.568 119.914 -0.005 0.000 3.307 27 V HA -0.103 4.017 4.120 0.000 0.000 0.253 27 V C 2.315 178.406 176.094 -0.005 0.000 1.149 27 V CA 1.606 63.902 62.300 -0.007 0.000 1.112 27 V CB -0.191 31.628 31.823 -0.008 0.000 0.777 27 V HN 0.810 nan 8.190 nan 0.000 0.464 28 K N 1.244 121.642 120.400 -0.003 0.000 2.228 28 K HA -0.068 4.252 4.320 0.000 0.000 0.202 28 K C 1.901 178.500 176.600 -0.002 0.000 1.051 28 K CA 1.592 57.878 56.287 -0.001 0.000 0.960 28 K CB -0.659 31.841 32.500 0.000 0.000 0.743 28 K HN 0.410 nan 8.250 nan 0.000 0.458 29 V N 0.762 120.675 119.914 -0.002 0.000 2.469 29 V HA -0.225 3.895 4.120 0.000 0.000 0.251 29 V C 2.388 178.481 176.094 -0.003 0.000 1.064 29 V CA 2.135 64.434 62.300 -0.002 0.000 1.066 29 V CB -1.574 30.248 31.823 -0.002 0.000 0.667 29 V HN 0.587 nan 8.190 nan 0.000 0.461 30 T N -2.363 112.188 114.554 -0.004 0.000 3.129 30 T HA 0.248 4.598 4.350 0.000 0.000 0.251 30 T C 0.478 175.174 174.700 -0.006 0.000 1.117 30 T CA -0.135 61.961 62.100 -0.006 0.000 1.034 30 T CB -0.318 68.545 68.868 -0.008 0.000 0.968 30 T HN 0.355 nan 8.240 nan 0.000 0.526 31 L N 2.368 123.589 121.223 -0.004 0.000 2.410 31 L HA 0.586 4.926 4.340 0.000 0.000 0.273 31 L C 0.704 177.572 176.870 -0.002 0.000 1.144 31 L CA 1.547 56.385 54.840 -0.003 0.000 0.863 31 L CB -0.283 41.776 42.059 -0.000 0.000 1.140 31 L HN 0.648 nan 8.230 nan 0.000 0.463 32 G N 4.217 113.014 108.800 -0.005 0.000 2.422 32 G HA2 -0.117 3.843 3.960 0.000 0.000 0.607 32 G HA3 -0.117 3.843 3.960 0.000 0.000 0.607 32 G C -2.255 172.638 174.900 -0.012 0.000 1.270 32 G CA -0.314 44.781 45.100 -0.007 0.000 0.992 32 G HN 0.451 nan 8.290 nan 0.000 0.499 33 P HA 0.160 nan 4.420 nan 0.000 0.220 33 P C 1.007 178.297 177.300 -0.016 0.000 1.152 33 P CA 1.000 64.087 63.100 -0.023 0.000 0.812 33 P CB 0.188 31.866 31.700 -0.037 0.000 0.792 34 K N 0.434 120.828 120.400 -0.010 0.000 2.811 34 K HA 0.304 4.624 4.320 0.000 0.000 0.217 34 K C 0.888 177.487 176.600 -0.003 0.000 1.115 34 K CA -0.146 56.137 56.287 -0.005 0.000 1.179 34 K CB 0.064 32.565 32.500 0.001 0.000 0.994 34 K HN 0.059 nan 8.250 nan 0.000 0.464 35 G N 1.049 109.846 108.800 -0.005 0.000 2.699 35 G HA2 0.094 4.054 3.960 0.000 0.000 0.246 35 G HA3 0.094 4.054 3.960 0.000 0.000 0.246 35 G C 0.126 175.024 174.900 -0.004 0.000 1.219 35 G CA -0.379 44.719 45.100 -0.004 0.000 0.866 35 G HN 0.125 nan 8.290 nan 0.000 0.572 36 R N -0.522 119.976 120.500 -0.003 0.000 2.856 36 R HA 0.262 4.602 4.340 0.000 0.000 0.258 36 R C -0.405 175.893 176.300 -0.004 0.000 1.066 36 R CA -0.929 55.169 56.100 -0.003 0.000 1.045 36 R CB 0.873 31.172 30.300 -0.002 0.000 1.178 36 R HN 0.634 nan 8.270 nan 0.000 0.499 37 N N -0.366 118.332 118.700 -0.004 0.000 2.419 37 N HA 0.263 5.003 4.740 0.000 0.000 0.264 37 N C -0.885 174.622 175.510 -0.004 0.000 1.031 37 N CA -0.327 52.720 53.050 -0.004 0.000 0.951 37 N CB 1.342 39.827 38.487 -0.004 0.000 1.101 37 N HN 0.087 nan 8.380 nan 0.000 0.488 38 V N 2.636 122.548 119.914 -0.005 0.000 2.513 38 V HA 0.339 4.459 4.120 0.000 0.000 0.299 38 V C -0.078 176.013 176.094 -0.005 0.000 1.035 38 V CA -0.836 61.461 62.300 -0.005 0.000 0.889 38 V CB 1.843 33.663 31.823 -0.006 0.000 0.988 38 V HN 0.301 nan 8.190 nan 0.000 0.440 39 V N 6.155 126.066 119.914 -0.005 0.000 2.311 39 V HA 0.374 4.494 4.120 0.000 0.000 0.275 39 V C -0.062 176.028 176.094 -0.005 0.000 1.022 39 V CA -0.361 61.937 62.300 -0.004 0.000 0.830 39 V CB 1.016 32.837 31.823 -0.004 0.000 1.012 39 V HN 0.618 nan 8.190 nan 0.000 0.452 40 L N 3.882 125.102 121.223 -0.005 0.000 2.278 40 L HA 0.399 4.739 4.340 0.000 0.000 0.287 40 L C 0.234 177.102 176.870 -0.005 0.000 1.072 40 L CA -0.290 54.547 54.840 -0.006 0.000 0.819 40 L CB 0.879 42.934 42.059 -0.006 0.000 1.176 40 L HN 0.525 nan 8.230 nan 0.000 0.435 41 D N 3.978 124.373 120.400 -0.008 0.000 2.351 41 D HA 0.167 4.807 4.640 0.000 0.000 0.251 41 D C -0.348 175.946 176.300 -0.010 0.000 1.137 41 D CA 0.133 54.126 54.000 -0.011 0.000 0.879 41 D CB 0.811 41.601 40.800 -0.018 0.000 1.181 41 D HN 0.304 nan 8.370 nan 0.000 0.448 42 K N 1.145 121.544 120.400 -0.003 0.000 2.156 42 K HA 0.258 4.578 4.320 0.000 0.000 0.254 42 K C 1.150 177.734 176.600 -0.027 0.000 0.950 42 K CA -0.602 55.689 56.287 0.007 0.000 0.849 42 K CB 1.544 34.071 32.500 0.043 0.000 1.100 42 K HN 0.374 nan 8.250 nan 0.000 0.434 43 S N 1.067 116.723 115.700 -0.075 0.000 2.406 43 S HA -0.015 4.455 4.470 0.000 0.000 0.228 43 S C 0.447 174.857 174.600 -0.317 0.000 1.020 43 S CA 0.609 58.670 58.200 -0.232 0.000 0.965 43 S CB -0.222 62.761 63.200 -0.362 0.000 0.798 43 S HN 0.372 nan 8.310 nan 0.000 0.488 44 F N 2.686 122.633 119.950 -0.005 0.000 2.410 44 F HA 0.626 5.153 4.527 0.000 0.000 0.349 44 F C 1.459 177.257 175.800 -0.004 0.000 1.117 44 F CA 0.050 58.047 58.000 -0.004 0.000 1.104 44 F CB 0.789 39.786 39.000 -0.004 0.000 1.122 44 F HN 0.436 nan 8.300 nan 0.000 0.483 45 G N 1.764 110.661 108.800 0.162 0.000 2.564 45 G HA2 -0.037 3.923 3.960 0.000 0.000 0.273 45 G HA3 -0.037 3.923 3.960 0.000 0.000 0.273 45 G C -0.244 174.688 174.900 0.054 0.000 1.242 45 G CA -0.453 44.702 45.100 0.092 0.000 0.951 45 G HN 1.119 nan 8.290 nan 0.000 0.564 46 A N 1.163 124.008 122.820 0.042 0.000 2.388 46 A HA 0.711 5.031 4.320 0.000 0.000 0.257 46 A C -1.577 176.020 177.584 0.022 0.000 1.095 46 A CA -0.244 51.808 52.037 0.025 0.000 0.791 46 A CB 0.178 19.189 19.000 0.019 0.000 1.029 46 A HN 0.663 nan 8.150 nan 0.000 0.489 47 P HA 0.275 nan 4.420 nan 0.000 0.271 47 P C -0.327 176.977 177.300 0.008 0.000 1.218 47 P CA 0.027 63.132 63.100 0.008 0.000 0.780 47 P CB 0.568 32.269 31.700 0.001 0.000 0.901 48 T N 2.849 117.407 114.554 0.007 0.000 2.832 48 T HA 0.401 4.751 4.350 0.000 0.000 0.296 48 T C 0.434 175.135 174.700 0.001 0.000 0.968 48 T CA -0.143 61.960 62.100 0.004 0.000 1.107 48 T CB -0.043 68.827 68.868 0.004 0.000 0.916 48 T HN 0.184 nan 8.240 nan 0.000 0.517 49 I N 2.790 123.360 120.570 -0.000 0.000 2.330 49 I HA 0.431 4.601 4.170 0.000 0.000 0.289 49 I C 0.458 176.573 176.117 -0.003 0.000 1.001 49 I CA -0.417 60.882 61.300 -0.002 0.000 1.193 49 I CB 1.469 39.468 38.000 -0.002 0.000 1.345 49 I HN 0.509 nan 8.210 nan 0.000 0.461 50 T N 4.639 119.190 114.554 -0.005 0.000 2.912 50 T HA 0.353 4.703 4.350 0.000 0.000 0.299 50 T C 0.156 174.851 174.700 -0.008 0.000 1.052 50 T CA -0.638 61.459 62.100 -0.007 0.000 0.996 50 T CB 1.495 70.358 68.868 -0.008 0.000 1.070 50 T HN 0.618 nan 8.240 nan 0.000 0.465 51 K N 2.022 122.416 120.400 -0.008 0.000 2.397 51 K HA 0.188 4.508 4.320 0.000 0.000 0.202 51 K C -0.372 176.221 176.600 -0.011 0.000 1.022 51 K CA -0.286 55.996 56.287 -0.009 0.000 1.141 51 K CB 0.347 32.842 32.500 -0.009 0.000 0.857 51 K HN 0.420 nan 8.250 nan 0.000 0.514 52 D N -0.255 120.137 120.400 -0.013 0.000 2.249 52 D HA 0.116 4.756 4.640 0.000 0.000 0.246 52 D C 1.080 177.370 176.300 -0.017 0.000 1.114 52 D CA -0.100 53.890 54.000 -0.016 0.000 0.854 52 D CB 1.539 42.328 40.800 -0.018 0.000 1.132 52 D HN 0.140 nan 8.370 nan 0.000 0.461 53 G N 2.188 110.977 108.800 -0.018 0.000 2.394 53 G HA2 -0.148 3.812 3.960 0.000 0.000 0.215 53 G HA3 -0.148 3.812 3.960 0.000 0.000 0.215 53 G C 1.493 176.379 174.900 -0.022 0.000 1.165 53 G CA 0.594 45.683 45.100 -0.018 0.000 0.784 53 G HN 0.476 nan 8.290 nan 0.000 0.535 54 V N 1.339 121.237 119.914 -0.027 0.000 2.343 54 V HA -0.174 3.946 4.120 0.000 0.000 0.247 54 V C 3.061 179.137 176.094 -0.029 0.000 1.051 54 V CA 2.177 64.458 62.300 -0.033 0.000 1.036 54 V CB -0.642 31.157 31.823 -0.041 0.000 0.654 54 V HN 0.334 nan 8.190 nan 0.000 0.451 55 S N -0.035 115.650 115.700 -0.026 0.000 2.383 55 S HA -0.131 4.339 4.470 0.000 0.000 0.227 55 S C 1.977 176.565 174.600 -0.020 0.000 1.026 55 S CA 1.387 59.574 58.200 -0.023 0.000 0.981 55 S CB -0.166 63.023 63.200 -0.019 0.000 0.818 55 S HN 0.401 nan 8.310 nan 0.000 0.472 56 V N 2.272 122.175 119.914 -0.018 0.000 2.221 56 V HA -0.175 3.945 4.120 0.000 0.000 0.242 56 V C 2.688 178.771 176.094 -0.017 0.000 1.041 56 V CA 1.719 64.010 62.300 -0.016 0.000 0.995 56 V CB -1.387 30.428 31.823 -0.013 0.000 0.635 56 V HN 0.532 nan 8.190 nan 0.000 0.448 57 A N -0.503 122.306 122.820 -0.019 0.000 2.148 57 A HA -0.293 4.027 4.320 0.000 0.000 0.222 57 A C 2.378 179.948 177.584 -0.023 0.000 1.161 57 A CA 2.142 54.167 52.037 -0.020 0.000 0.662 57 A CB -0.720 18.267 19.000 -0.022 0.000 0.799 57 A HN 0.487 nan 8.150 nan 0.000 0.466 58 R N -0.610 119.875 120.500 -0.025 0.000 2.093 58 R HA -0.038 4.302 4.340 0.000 0.000 0.224 58 R C 0.836 177.121 176.300 -0.025 0.000 1.101 58 R CA 1.019 57.102 56.100 -0.028 0.000 0.979 58 R CB -0.023 30.258 30.300 -0.031 0.000 0.877 58 R HN 0.406 nan 8.270 nan 0.000 0.441 59 E N 0.546 120.733 120.200 -0.021 0.000 2.445 59 E HA 0.023 4.373 4.350 0.000 0.000 0.189 59 E C -0.302 176.288 176.600 -0.017 0.000 1.069 59 E CA 0.099 56.488 56.400 -0.018 0.000 0.871 59 E CB 0.341 30.031 29.700 -0.015 0.000 0.991 59 E HN 0.186 nan 8.360 nan 0.000 0.481 60 I N 1.845 122.404 120.570 -0.017 0.000 2.291 60 I HA 0.225 4.395 4.170 0.000 0.000 0.290 60 I C 0.203 176.312 176.117 -0.014 0.000 1.050 60 I CA -0.245 61.046 61.300 -0.014 0.000 1.245 60 I CB 0.384 38.377 38.000 -0.013 0.000 1.405 60 I HN -0.053 nan 8.210 nan 0.000 0.478 61 E N 6.546 126.738 120.200 -0.013 0.000 2.352 61 E HA 0.577 4.927 4.350 0.000 0.000 0.280 61 E C -1.800 174.795 176.600 -0.010 0.000 0.930 61 E CA -0.600 55.792 56.400 -0.013 0.000 0.765 61 E CB 2.343 32.033 29.700 -0.016 0.000 1.219 61 E HN 0.392 nan 8.360 nan 0.000 0.434 62 L N 2.875 124.093 121.223 -0.008 0.000 2.313 62 L HA 0.402 4.742 4.340 0.000 0.000 0.268 62 L C 1.295 178.162 176.870 -0.005 0.000 1.010 62 L CA -0.451 54.387 54.840 -0.003 0.000 0.814 62 L CB 1.698 43.760 42.059 0.005 0.000 1.304 62 L HN 0.769 nan 8.230 nan 0.000 0.441 63 E N 0.198 120.398 120.200 0.000 0.000 2.060 63 E HA -0.124 4.226 4.350 0.000 0.000 0.189 63 E C 0.336 176.939 176.600 0.005 0.000 0.974 63 E CA 0.226 56.626 56.400 -0.001 0.000 0.808 63 E CB 0.325 30.026 29.700 0.002 0.000 0.768 63 E HN 0.593 nan 8.360 nan 0.000 0.453 64 D N 0.989 121.402 120.400 0.021 0.000 2.401 64 D HA -0.061 4.579 4.640 0.000 0.000 0.254 64 D C 0.769 177.087 176.300 0.030 0.000 1.192 64 D CA 0.058 54.086 54.000 0.047 0.000 0.885 64 D CB 0.949 41.795 40.800 0.076 0.000 1.147 64 D HN 0.012 nan 8.370 nan 0.000 0.478 65 K N 3.623 124.016 120.400 -0.012 0.000 2.009 65 K HA -0.176 4.144 4.320 0.000 0.000 0.210 65 K C 2.033 178.550 176.600 -0.137 0.000 1.049 65 K CA 1.233 57.446 56.287 -0.124 0.000 0.929 65 K CB -0.491 31.857 32.500 -0.253 0.000 0.714 65 K HN 0.497 nan 8.250 nan 0.000 0.440 66 F N 1.927 121.865 119.950 -0.021 0.000 2.069 66 F HA -0.185 4.342 4.527 0.000 0.000 0.298 66 F C 2.506 178.295 175.800 -0.019 0.000 1.113 66 F CA 1.450 59.435 58.000 -0.024 0.000 1.214 66 F CB -0.612 38.373 39.000 -0.025 0.000 0.978 66 F HN 0.182 nan 8.300 nan 0.000 0.474 67 E N 0.050 120.357 120.200 0.179 0.000 2.021 67 E HA -0.323 4.027 4.350 0.000 0.000 0.200 67 E C 1.946 178.575 176.600 0.049 0.000 1.015 67 E CA 1.623 58.077 56.400 0.090 0.000 0.824 67 E CB -0.573 29.166 29.700 0.065 0.000 0.762 67 E HN 0.264 nan 8.360 nan 0.000 0.454 68 N N 0.361 119.076 118.700 0.024 0.000 2.182 68 N HA -0.224 4.516 4.740 0.000 0.000 0.192 68 N C 1.670 177.177 175.510 -0.006 0.000 1.007 68 N CA 1.492 54.541 53.050 -0.001 0.000 0.873 68 N CB -0.064 38.411 38.487 -0.021 0.000 0.998 68 N HN 0.139 nan 8.380 nan 0.000 0.436 69 M N -1.001 118.597 119.600 -0.004 0.000 2.099 69 M HA -0.012 4.468 4.480 0.000 0.000 0.262 69 M C 2.208 178.517 176.300 0.014 0.000 1.067 69 M CA 1.628 56.924 55.300 -0.007 0.000 1.124 69 M CB -0.649 31.940 32.600 -0.019 0.000 1.353 69 M HN 0.287 nan 8.290 nan 0.000 0.410 70 G N 0.152 108.973 108.800 0.035 0.000 2.586 70 G HA2 -0.288 3.672 3.960 0.000 0.000 0.218 70 G HA3 -0.288 3.672 3.960 0.000 0.000 0.218 70 G C 1.568 176.478 174.900 0.016 0.000 1.216 70 G CA 1.440 46.558 45.100 0.029 0.000 0.786 70 G HN 0.558 nan 8.290 nan 0.000 0.583 71 A N -0.245 122.582 122.820 0.012 0.000 1.851 71 A HA -0.129 4.191 4.320 0.000 0.000 0.216 71 A C 2.405 179.988 177.584 -0.002 0.000 1.195 71 A CA 2.270 54.309 52.037 0.004 0.000 0.622 71 A CB -0.604 18.398 19.000 0.003 0.000 0.831 71 A HN 0.341 nan 8.150 nan 0.000 0.444 72 Q N -0.764 119.032 119.800 -0.006 0.000 2.197 72 Q HA -0.195 4.145 4.340 0.000 0.000 0.207 72 Q C 2.133 178.127 176.000 -0.010 0.000 0.984 72 Q CA 1.637 57.433 55.803 -0.012 0.000 0.869 72 Q CB -0.545 28.183 28.738 -0.017 0.000 0.906 72 Q HN 0.784 nan 8.270 nan 0.000 0.426 73 M N -0.169 119.429 119.600 -0.003 0.000 2.065 73 M HA -0.175 4.305 4.480 0.000 0.000 0.259 73 M C 2.271 178.572 176.300 0.002 0.000 1.069 73 M CA 1.819 57.120 55.300 0.002 0.000 1.110 73 M CB -0.298 32.307 32.600 0.009 0.000 1.328 73 M HN 0.202 nan 8.290 nan 0.000 0.405 74 V N -2.419 117.497 119.914 0.003 0.000 2.488 74 V HA -0.145 3.975 4.120 0.000 0.000 0.246 74 V C 2.113 178.199 176.094 -0.014 0.000 1.046 74 V CA 1.479 63.780 62.300 0.003 0.000 1.053 74 V CB -1.059 30.769 31.823 0.008 0.000 0.679 74 V HN 0.410 nan 8.190 nan 0.000 0.458 75 K N 0.688 121.078 120.400 -0.016 0.000 2.032 75 K HA -0.352 3.968 4.320 0.000 0.000 0.218 75 K C 2.379 178.954 176.600 -0.041 0.000 1.054 75 K CA 2.671 58.942 56.287 -0.027 0.000 0.941 75 K CB -0.421 32.065 32.500 -0.023 0.000 0.720 75 K HN 0.714 nan 8.250 nan 0.000 0.449 76 E N -0.047 120.131 120.200 -0.037 0.000 2.070 76 E HA -0.204 4.146 4.350 0.000 0.000 0.197 76 E C 1.847 178.399 176.600 -0.080 0.000 1.004 76 E CA 1.933 58.304 56.400 -0.048 0.000 0.805 76 E CB 0.048 29.730 29.700 -0.030 0.000 0.744 76 E HN 0.229 nan 8.360 nan 0.000 0.451 77 V N 1.040 120.916 119.914 -0.064 0.000 2.515 77 V HA -0.201 3.919 4.120 0.000 0.000 0.250 77 V C 2.433 178.413 176.094 -0.190 0.000 1.058 77 V CA 1.557 63.801 62.300 -0.093 0.000 1.064 77 V CB -0.731 31.104 31.823 0.019 0.000 0.675 77 V HN 0.399 nan 8.190 nan 0.000 0.461 78 A N 1.022 123.774 122.820 -0.113 0.000 1.969 78 A HA -0.166 4.154 4.320 0.000 0.000 0.218 78 A C 2.500 179.994 177.584 -0.150 0.000 1.169 78 A CA 1.971 53.944 52.037 -0.105 0.000 0.635 78 A CB -0.589 18.378 19.000 -0.054 0.000 0.810 78 A HN 0.679 nan 8.150 nan 0.000 0.445 79 S N -0.353 115.257 115.700 -0.150 0.000 2.461 79 S HA -0.045 4.425 4.470 0.000 0.000 0.228 79 S C 1.699 176.179 174.600 -0.199 0.000 1.005 79 S CA 1.008 59.125 58.200 -0.139 0.000 0.942 79 S CB -0.243 62.898 63.200 -0.098 0.000 0.776 79 S HN 0.582 nan 8.310 nan 0.000 0.514 80 K N 1.503 121.704 120.400 -0.332 0.000 2.097 80 K HA 0.075 4.395 4.320 0.000 0.000 0.206 80 K C 2.355 178.659 176.600 -0.493 0.000 1.049 80 K CA 1.219 57.204 56.287 -0.504 0.000 0.933 80 K CB -0.426 31.519 32.500 -0.926 0.000 0.717 80 K HN 0.529 nan 8.250 nan 0.000 0.442 81 A N 1.011 123.566 122.820 -0.443 0.000 2.067 81 A HA -0.109 4.211 4.320 0.000 0.000 0.217 81 A C 1.743 179.281 177.584 -0.078 0.000 1.156 81 A CA 1.299 53.242 52.037 -0.158 0.000 0.683 81 A CB -0.367 18.604 19.000 -0.049 0.000 0.808 81 A HN 0.279 nan 8.150 nan 0.000 0.455 82 N N -0.457 118.177 118.700 -0.109 0.000 2.376 82 N HA -0.074 4.666 4.740 0.000 0.000 0.177 82 N C 1.086 176.534 175.510 -0.103 0.000 1.024 82 N CA 0.875 53.867 53.050 -0.096 0.000 0.893 82 N CB 0.031 38.459 38.487 -0.097 0.000 0.980 82 N HN 0.293 nan 8.380 nan 0.000 0.439 83 D N -0.102 120.242 120.400 -0.094 0.000 2.097 83 D HA -0.030 4.610 4.640 0.000 0.000 0.197 83 D C 1.541 177.843 176.300 0.003 0.000 0.984 83 D CA 1.073 55.038 54.000 -0.058 0.000 0.826 83 D CB -0.255 40.506 40.800 -0.064 0.000 0.973 83 D HN 0.331 nan 8.370 nan 0.000 0.460 84 A N -0.312 122.520 122.820 0.019 0.000 2.169 84 A HA 0.356 4.676 4.320 0.000 0.000 0.212 84 A C 1.834 179.474 177.584 0.093 0.000 1.153 84 A CA 1.494 53.578 52.037 0.079 0.000 0.756 84 A CB 0.162 19.240 19.000 0.130 0.000 0.813 84 A HN 0.226 nan 8.150 nan 0.000 0.471 85 A N -3.119 119.739 122.820 0.063 0.000 1.977 85 A HA 0.487 4.807 4.320 0.000 0.000 0.197 85 A C 1.742 179.358 177.584 0.053 0.000 1.554 85 A CA 1.069 53.150 52.037 0.073 0.000 1.037 85 A CB -0.122 18.910 19.000 0.054 0.000 1.083 85 A HN 1.701 nan 8.150 nan 0.000 0.471 86 G N -1.073 107.679 108.800 -0.081 0.000 2.238 86 G HA2 -0.101 3.859 3.960 0.000 0.000 0.217 86 G HA3 -0.101 3.859 3.960 0.000 0.000 0.217 86 G C -0.220 174.600 174.900 -0.133 0.000 0.996 86 G CA 0.557 45.511 45.100 -0.243 0.000 0.632 86 G HN 1.026 nan 8.290 nan 0.000 0.503 87 D N -1.710 118.655 120.400 -0.059 0.000 2.878 87 D HA 0.593 5.233 4.640 0.000 0.000 0.211 87 D C 0.450 176.739 176.300 -0.019 0.000 1.271 87 D CA 0.940 54.916 54.000 -0.041 0.000 0.845 87 D CB 0.783 41.567 40.800 -0.026 0.000 1.679 87 D HN 1.244 nan 8.370 nan 0.000 0.536 88 G N 1.524 110.312 108.800 -0.021 0.000 3.268 88 G HA2 -0.134 3.826 3.960 0.000 0.000 0.220 88 G HA3 -0.134 3.826 3.960 0.000 0.000 0.220 88 G C 0.940 175.833 174.900 -0.012 0.000 0.942 88 G CA 0.314 45.410 45.100 -0.006 0.000 0.918 88 G HN 0.482 nan 8.290 nan 0.000 0.658 89 T N 1.176 115.713 114.554 -0.029 0.000 2.867 89 T HA -0.049 4.301 4.350 0.000 0.000 0.268 89 T C 2.601 177.288 174.700 -0.020 0.000 1.057 89 T CA 2.112 64.192 62.100 -0.034 0.000 1.136 89 T CB -0.202 68.638 68.868 -0.046 0.000 0.874 89 T HN 0.365 nan 8.240 nan 0.000 0.466 90 T N 1.593 116.137 114.554 -0.016 0.000 2.821 90 T HA -0.089 4.261 4.350 0.000 0.000 0.267 90 T C 2.211 176.909 174.700 -0.003 0.000 1.046 90 T CA 1.440 63.534 62.100 -0.011 0.000 1.139 90 T CB -0.506 68.356 68.868 -0.010 0.000 0.871 90 T HN 0.374 nan 8.240 nan 0.000 0.454 91 T N 1.702 116.257 114.554 0.001 0.000 2.894 91 T HA 0.215 4.565 4.350 0.000 0.000 0.258 91 T C 2.514 177.224 174.700 0.016 0.000 1.043 91 T CA 0.768 62.874 62.100 0.009 0.000 1.141 91 T CB -0.478 68.398 68.868 0.013 0.000 0.873 91 T HN 0.401 nan 8.240 nan 0.000 0.449 92 A N 1.786 124.617 122.820 0.018 0.000 1.883 92 A HA -0.170 4.150 4.320 0.000 0.000 0.217 92 A C 2.510 180.107 177.584 0.022 0.000 1.186 92 A CA 2.255 54.310 52.037 0.030 0.000 0.624 92 A CB -1.404 17.613 19.000 0.028 0.000 0.822 92 A HN 0.481 nan 8.150 nan 0.000 0.444 93 T N 0.087 114.647 114.554 0.009 0.000 2.684 93 T HA -0.164 4.186 4.350 0.000 0.000 0.267 93 T C 1.974 176.680 174.700 0.010 0.000 1.036 93 T CA 2.170 64.274 62.100 0.007 0.000 1.148 93 T CB -0.933 67.934 68.868 -0.001 0.000 0.863 93 T HN 0.732 nan 8.240 nan 0.000 0.436 94 V N 0.265 120.185 119.914 0.009 0.000 2.515 94 V HA -0.008 4.112 4.120 0.000 0.000 0.250 94 V C 2.278 178.380 176.094 0.013 0.000 1.058 94 V CA 1.233 63.539 62.300 0.010 0.000 1.064 94 V CB -1.188 30.640 31.823 0.008 0.000 0.675 94 V HN 0.415 nan 8.190 nan 0.000 0.461 95 L N 0.784 122.017 121.223 0.017 0.000 2.017 95 L HA -0.057 4.283 4.340 0.000 0.000 0.208 95 L C 3.037 179.920 176.870 0.022 0.000 1.073 95 L CA 1.910 56.763 54.840 0.021 0.000 0.745 95 L CB -0.857 41.219 42.059 0.028 0.000 0.894 95 L HN 0.431 nan 8.230 nan 0.000 0.432 96 A N -0.980 121.855 122.820 0.024 0.000 1.968 96 A HA -0.228 4.092 4.320 0.000 0.000 0.217 96 A C 2.241 179.836 177.584 0.018 0.000 1.169 96 A CA 1.378 53.430 52.037 0.024 0.000 0.638 96 A CB -0.475 18.542 19.000 0.029 0.000 0.812 96 A HN 0.480 nan 8.150 nan 0.000 0.446 97 Q N -0.254 119.556 119.800 0.015 0.000 2.030 97 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 97 Q C 2.245 178.252 176.000 0.011 0.000 0.986 97 Q CA 1.853 57.663 55.803 0.012 0.000 0.843 97 Q CB -0.373 28.370 28.738 0.009 0.000 0.904 97 Q HN 0.589 nan 8.270 nan 0.000 0.420 98 A N 0.806 123.633 122.820 0.011 0.000 1.917 98 A HA -0.207 4.113 4.320 0.000 0.000 0.219 98 A C 1.986 179.577 177.584 0.011 0.000 1.182 98 A CA 1.711 53.755 52.037 0.010 0.000 0.633 98 A CB -0.774 18.233 19.000 0.011 0.000 0.819 98 A HN 0.515 nan 8.150 nan 0.000 0.448 99 I N -0.735 119.843 120.570 0.013 0.000 2.252 99 I HA -0.215 3.955 4.170 0.000 0.000 0.245 99 I C 2.252 178.377 176.117 0.013 0.000 1.102 99 I CA 1.206 62.514 61.300 0.013 0.000 1.385 99 I CB -0.324 37.686 38.000 0.016 0.000 1.064 99 I HN 0.287 nan 8.210 nan 0.000 0.414 100 I N 0.210 120.789 120.570 0.014 0.000 2.233 100 I HA -0.202 3.968 4.170 0.000 0.000 0.243 100 I C 2.564 178.687 176.117 0.011 0.000 1.093 100 I CA 1.251 62.559 61.300 0.013 0.000 1.380 100 I CB -0.633 37.376 38.000 0.015 0.000 1.067 100 I HN 0.180 nan 8.210 nan 0.000 0.413 101 T N 0.614 115.174 114.554 0.010 0.000 2.570 101 T HA -0.211 4.139 4.350 0.000 0.000 0.266 101 T C 1.794 176.498 174.700 0.007 0.000 1.071 101 T CA 1.572 63.676 62.100 0.008 0.000 1.172 101 T CB -0.297 68.575 68.868 0.007 0.000 0.864 101 T HN 0.308 nan 8.240 nan 0.000 0.421 102 E N 0.670 120.875 120.200 0.007 0.000 2.150 102 E HA -0.019 4.331 4.350 0.000 0.000 0.193 102 E C 2.581 179.186 176.600 0.007 0.000 0.985 102 E CA 1.031 57.435 56.400 0.007 0.000 0.814 102 E CB -0.785 28.919 29.700 0.007 0.000 0.752 102 E HN 0.604 nan 8.360 nan 0.000 0.466 103 G N 1.374 110.179 108.800 0.009 0.000 2.402 103 G HA2 -0.192 3.768 3.960 0.000 0.000 0.216 103 G HA3 -0.192 3.768 3.960 0.000 0.000 0.216 103 G C 1.726 176.631 174.900 0.009 0.000 1.162 103 G CA 0.343 45.449 45.100 0.009 0.000 0.777 103 G HN 0.157 nan 8.290 nan 0.000 0.539 104 L N -0.154 121.074 121.223 0.009 0.000 2.093 104 L HA -0.004 4.336 4.340 0.000 0.000 0.208 104 L C 2.895 179.769 176.870 0.006 0.000 1.085 104 L CA 1.024 55.869 54.840 0.008 0.000 0.755 104 L CB -0.321 41.742 42.059 0.007 0.000 0.904 104 L HN 0.201 nan 8.230 nan 0.000 0.435 105 K N 0.239 120.643 120.400 0.005 0.000 2.147 105 K HA -0.130 4.190 4.320 0.000 0.000 0.205 105 K C 2.229 178.831 176.600 0.004 0.000 1.049 105 K CA 1.246 57.536 56.287 0.004 0.000 0.936 105 K CB -0.169 32.334 32.500 0.004 0.000 0.722 105 K HN 0.279 nan 8.250 nan 0.000 0.446 106 A N 0.937 123.761 122.820 0.005 0.000 1.873 106 A HA -0.106 4.214 4.320 0.000 0.000 0.215 106 A C 2.350 179.937 177.584 0.006 0.000 1.186 106 A CA 1.347 53.387 52.037 0.005 0.000 0.616 106 A CB -0.571 18.433 19.000 0.006 0.000 0.823 106 A HN 0.061 nan 8.150 nan 0.000 0.442 107 V N -0.132 119.787 119.914 0.007 0.000 2.427 107 V HA -0.168 3.952 4.120 0.000 0.000 0.248 107 V C 2.933 179.032 176.094 0.007 0.000 1.051 107 V CA 1.733 64.037 62.300 0.008 0.000 1.048 107 V CB -1.220 30.609 31.823 0.010 0.000 0.666 107 V HN 0.580 nan 8.190 nan 0.000 0.456 108 A N -0.046 122.778 122.820 0.006 0.000 2.067 108 A HA 0.082 4.402 4.320 0.000 0.000 0.219 108 A C 2.338 179.924 177.584 0.003 0.000 1.158 108 A CA 1.572 53.611 52.037 0.004 0.000 0.661 108 A CB -0.470 18.532 19.000 0.003 0.000 0.801 108 A HN 0.539 nan 8.150 nan 0.000 0.452 109 A N -1.637 121.185 122.820 0.003 0.000 1.968 109 A HA 0.379 4.699 4.320 0.000 0.000 0.217 109 A C 1.751 179.336 177.584 0.003 0.000 1.169 109 A CA 1.690 53.728 52.037 0.002 0.000 0.638 109 A CB -0.459 18.542 19.000 0.003 0.000 0.812 109 A HN 1.672 nan 8.150 nan 0.000 0.446 110 G N -2.537 106.265 108.800 0.004 0.000 2.240 110 G HA2 -0.042 3.918 3.960 0.000 0.000 0.181 110 G HA3 -0.042 3.918 3.960 0.000 0.000 0.181 110 G C -0.022 174.881 174.900 0.004 0.000 1.028 110 G CA -0.059 45.043 45.100 0.004 0.000 0.760 110 G HN 0.239 nan 8.290 nan 0.000 0.508 111 M N 1.226 120.829 119.600 0.005 0.000 2.314 111 M HA 0.329 4.809 4.480 0.000 0.000 0.342 111 M C 0.421 176.725 176.300 0.007 0.000 1.171 111 M CA -0.646 54.657 55.300 0.005 0.000 1.098 111 M CB 0.922 33.526 32.600 0.005 0.000 1.559 111 M HN 0.137 nan 8.290 nan 0.000 0.459 112 N N 3.352 122.056 118.700 0.007 0.000 2.438 112 N HA 0.059 4.799 4.740 0.000 0.000 0.267 112 N C -2.090 173.426 175.510 0.009 0.000 1.222 112 N CA -1.020 52.035 53.050 0.008 0.000 0.930 112 N CB 1.091 39.582 38.487 0.007 0.000 1.083 112 N HN 0.312 nan 8.380 nan 0.000 0.476 113 P HA -0.147 nan 4.420 nan 0.000 0.216 113 P C 1.650 178.957 177.300 0.010 0.000 1.153 113 P CA 1.354 64.461 63.100 0.011 0.000 0.858 113 P CB 0.203 31.912 31.700 0.014 0.000 0.789 114 M N -1.105 118.501 119.600 0.010 0.000 2.296 114 M HA -0.112 4.368 4.480 0.000 0.000 0.265 114 M C 1.252 177.556 176.300 0.007 0.000 1.064 114 M CA 1.531 56.836 55.300 0.009 0.000 1.109 114 M CB -1.343 31.263 32.600 0.009 0.000 1.396 114 M HN -0.005 nan 8.290 nan 0.000 0.430 115 D N 0.381 120.785 120.400 0.007 0.000 2.162 115 D HA 0.011 4.651 4.640 0.000 0.000 0.203 115 D C 2.279 178.582 176.300 0.005 0.000 0.967 115 D CA 0.838 54.841 54.000 0.005 0.000 0.840 115 D CB -0.052 40.751 40.800 0.005 0.000 0.972 115 D HN 0.302 nan 8.370 nan 0.000 0.482 116 L N 0.924 122.151 121.223 0.006 0.000 1.994 116 L HA -0.165 4.175 4.340 0.000 0.000 0.208 116 L C 2.543 179.417 176.870 0.006 0.000 1.071 116 L CA 1.218 56.062 54.840 0.007 0.000 0.745 116 L CB -0.345 41.718 42.059 0.008 0.000 0.892 116 L HN -0.038 nan 8.230 nan 0.000 0.431 117 K N 0.445 120.849 120.400 0.007 0.000 2.001 117 K HA -0.280 4.040 4.320 0.000 0.000 0.214 117 K C 2.328 178.930 176.600 0.004 0.000 1.050 117 K CA 1.847 58.138 56.287 0.006 0.000 0.934 117 K CB -0.178 32.326 32.500 0.007 0.000 0.718 117 K HN 0.030 nan 8.250 nan 0.000 0.443 118 R N -0.579 119.923 120.500 0.003 0.000 2.154 118 R HA -0.148 4.192 4.340 0.000 0.000 0.248 118 R C 2.167 178.467 176.300 0.001 0.000 1.155 118 R CA 1.788 57.889 56.100 0.001 0.000 0.979 118 R CB -0.399 29.902 30.300 0.002 0.000 0.869 118 R HN 0.499 nan 8.270 nan 0.000 0.452 119 G N -0.576 108.225 108.800 0.002 0.000 2.539 119 G HA2 -0.069 3.891 3.960 0.000 0.000 0.215 119 G HA3 -0.069 3.891 3.960 0.000 0.000 0.215 119 G C 1.309 176.211 174.900 0.003 0.000 1.141 119 G CA 0.055 45.156 45.100 0.003 0.000 0.806 119 G HN 0.215 nan 8.290 nan 0.000 0.533 120 I N 0.925 121.497 120.570 0.003 0.000 2.353 120 I HA -0.058 4.112 4.170 0.000 0.000 0.248 120 I C 2.030 178.147 176.117 0.000 0.000 1.119 120 I CA 0.774 62.076 61.300 0.003 0.000 1.417 120 I CB -0.058 37.946 38.000 0.005 0.000 1.078 120 I HN -0.025 nan 8.210 nan 0.000 0.421 121 D N 1.118 121.517 120.400 -0.002 0.000 2.117 121 D HA -0.189 4.451 4.640 0.000 0.000 0.197 121 D C 2.099 178.395 176.300 -0.007 0.000 0.987 121 D CA 1.187 55.183 54.000 -0.007 0.000 0.829 121 D CB -0.133 40.662 40.800 -0.008 0.000 0.961 121 D HN 0.228 nan 8.370 nan 0.000 0.460 122 K N 0.468 120.866 120.400 -0.004 0.000 2.097 122 K HA -0.061 4.259 4.320 0.000 0.000 0.205 122 K C 1.991 178.590 176.600 -0.002 0.000 1.050 122 K CA 1.062 57.347 56.287 -0.003 0.000 0.938 122 K CB 0.012 32.511 32.500 -0.001 0.000 0.718 122 K HN 0.007 nan 8.250 nan 0.000 0.442 123 A N 0.427 123.247 122.820 0.000 0.000 1.933 123 A HA -0.115 4.205 4.320 0.000 0.000 0.218 123 A C 2.156 179.741 177.584 0.001 0.000 1.175 123 A CA 1.557 53.595 52.037 0.002 0.000 0.628 123 A CB -0.441 18.562 19.000 0.004 0.000 0.814 123 A HN 0.169 nan 8.150 nan 0.000 0.444 124 V N -0.629 119.284 119.914 -0.002 0.000 2.488 124 V HA -0.151 3.969 4.120 0.000 0.000 0.246 124 V C 2.682 178.770 176.094 -0.009 0.000 1.046 124 V CA 2.218 64.514 62.300 -0.006 0.000 1.053 124 V CB -1.029 30.788 31.823 -0.011 0.000 0.679 124 V HN 0.591 nan 8.190 nan 0.000 0.458 125 T N 0.816 115.364 114.554 -0.011 0.000 2.746 125 T HA -0.161 4.189 4.350 0.000 0.000 0.267 125 T C 2.006 176.702 174.700 -0.006 0.000 1.039 125 T CA 1.702 63.796 62.100 -0.011 0.000 1.142 125 T CB -0.382 68.479 68.868 -0.011 0.000 0.866 125 T HN 0.544 nan 8.240 nan 0.000 0.444 126 A N 1.016 123.835 122.820 -0.002 0.000 2.066 126 A HA 0.370 4.690 4.320 0.000 0.000 0.218 126 A C 2.546 180.132 177.584 0.003 0.000 1.157 126 A CA 1.396 53.434 52.037 0.001 0.000 0.670 126 A CB -0.771 18.230 19.000 0.002 0.000 0.804 126 A HN 0.489 nan 8.150 nan 0.000 0.453 127 A N -0.390 122.431 122.820 0.003 0.000 1.898 127 A HA 0.049 4.369 4.320 0.000 0.000 0.216 127 A C 2.161 179.748 177.584 0.006 0.000 1.181 127 A CA 1.597 53.638 52.037 0.006 0.000 0.620 127 A CB -0.787 18.217 19.000 0.006 0.000 0.819 127 A HN 0.337 nan 8.150 nan 0.000 0.442 128 V N -0.027 119.887 119.914 0.001 0.000 2.343 128 V HA -0.238 3.882 4.120 0.000 0.000 0.247 128 V C 2.567 178.663 176.094 0.003 0.000 1.051 128 V CA 2.390 64.689 62.300 -0.000 0.000 1.036 128 V CB -0.793 31.025 31.823 -0.008 0.000 0.654 128 V HN 0.519 nan 8.190 nan 0.000 0.451 129 E N 0.042 120.243 120.200 0.002 0.000 2.077 129 E HA -0.206 4.144 4.350 0.000 0.000 0.193 129 E C 2.185 178.790 176.600 0.008 0.000 0.989 129 E CA 1.226 57.628 56.400 0.004 0.000 0.800 129 E CB -0.301 29.401 29.700 0.003 0.000 0.746 129 E HN 0.581 nan 8.360 nan 0.000 0.452 130 E N -0.346 119.860 120.200 0.009 0.000 2.204 130 E HA -0.114 4.236 4.350 0.000 0.000 0.195 130 E C 1.665 178.273 176.600 0.015 0.000 0.990 130 E CA 0.404 56.811 56.400 0.012 0.000 0.821 130 E CB -0.135 29.573 29.700 0.013 0.000 0.750 130 E HN 0.149 nan 8.360 nan 0.000 0.477 131 L N 0.298 121.529 121.223 0.013 0.000 2.240 131 L HA -0.005 4.335 4.340 0.000 0.000 0.211 131 L C 1.610 178.489 176.870 0.015 0.000 1.106 131 L CA 1.429 56.278 54.840 0.016 0.000 0.793 131 L CB -0.010 42.058 42.059 0.015 0.000 0.927 131 L HN -0.025 nan 8.230 nan 0.000 0.446 132 K N -1.065 119.343 120.400 0.012 0.000 2.228 132 K HA 0.054 4.374 4.320 0.000 0.000 0.202 132 K C 1.950 178.557 176.600 0.013 0.000 1.051 132 K CA 0.947 57.241 56.287 0.012 0.000 0.960 132 K CB -0.114 32.391 32.500 0.009 0.000 0.743 132 K HN 0.347 nan 8.250 nan 0.000 0.458 133 A N 1.055 123.883 122.820 0.013 0.000 2.021 133 A HA 0.025 4.345 4.320 0.000 0.000 0.216 133 A C 1.931 179.526 177.584 0.017 0.000 1.163 133 A CA 0.510 52.556 52.037 0.014 0.000 0.676 133 A CB -0.240 18.768 19.000 0.013 0.000 0.818 133 A HN 0.196 nan 8.150 nan 0.000 0.453 134 L N -0.380 120.854 121.223 0.019 0.000 2.313 134 L HA 0.045 4.385 4.340 0.000 0.000 0.214 134 L C 1.197 178.081 176.870 0.022 0.000 1.119 134 L CA 0.328 55.182 54.840 0.024 0.000 0.809 134 L CB 0.002 42.076 42.059 0.026 0.000 0.933 134 L HN 0.342 nan 8.230 nan 0.000 0.449 135 S N 0.051 115.762 115.700 0.019 0.000 2.481 135 S HA 0.106 4.576 4.470 0.000 0.000 0.282 135 S C -0.130 174.479 174.600 0.016 0.000 1.243 135 S CA -0.516 57.695 58.200 0.017 0.000 1.078 135 S CB 0.417 63.627 63.200 0.016 0.000 0.916 135 S HN 0.050 nan 8.310 nan 0.000 0.495 136 V N 9.618 129.542 119.914 0.017 0.000 2.353 136 V HA 0.291 4.411 4.120 0.000 0.000 0.264 136 V C -1.987 174.115 176.094 0.013 0.000 1.049 136 V CA -1.823 60.486 62.300 0.015 0.000 0.896 136 V CB 0.605 32.438 31.823 0.016 0.000 1.025 136 V HN 0.728 nan 8.190 nan 0.000 0.475 137 P HA 0.059 nan 4.420 nan 0.000 0.266 137 P C -0.464 176.841 177.300 0.009 0.000 1.195 137 P CA -0.087 63.019 63.100 0.010 0.000 0.768 137 P CB 0.412 32.117 31.700 0.009 0.000 0.838 138 C N 3.374 122.678 119.300 0.008 0.000 2.362 138 C HA 0.456 4.916 4.460 0.000 0.000 0.309 138 C C 1.208 176.201 174.990 0.005 0.000 1.110 138 C CA 0.233 59.255 59.018 0.007 0.000 1.485 138 C CB -1.248 26.496 27.740 0.007 0.000 1.949 138 C HN 0.582 nan 8.230 nan 0.000 0.419 139 S N 1.717 117.419 115.700 0.004 0.000 2.931 139 S HA 0.113 4.583 4.470 0.000 0.000 0.251 139 S C 0.255 174.856 174.600 0.002 0.000 1.078 139 S CA -0.017 58.185 58.200 0.003 0.000 0.835 139 S CB 0.009 63.211 63.200 0.003 0.000 0.798 139 S HN 0.940 nan 8.310 nan 0.000 0.495 140 D N 1.984 122.385 120.400 0.002 0.000 2.357 140 D HA 0.112 4.752 4.640 0.000 0.000 0.242 140 D C 0.982 177.283 176.300 0.001 0.000 1.153 140 D CA 0.229 54.230 54.000 0.001 0.000 0.918 140 D CB 0.876 41.678 40.800 0.002 0.000 1.181 140 D HN 0.217 nan 8.370 nan 0.000 0.435 141 S N 0.295 115.995 115.700 -0.000 0.000 2.515 141 S HA -0.182 4.288 4.470 0.000 0.000 0.231 141 S C 1.520 176.120 174.600 -0.000 0.000 0.987 141 S CA 0.687 58.886 58.200 -0.001 0.000 0.936 141 S CB -0.268 62.931 63.200 -0.002 0.000 0.766 141 S HN 0.613 nan 8.310 nan 0.000 0.528 142 K N 1.360 121.760 120.400 0.000 0.000 2.116 142 K HA 0.160 4.480 4.320 0.000 0.000 0.203 142 K C 2.248 178.849 176.600 0.001 0.000 1.052 142 K CA 0.912 57.200 56.287 0.001 0.000 0.952 142 K CB -0.492 32.009 32.500 0.001 0.000 0.729 142 K HN 0.424 nan 8.250 nan 0.000 0.446 143 A N 1.114 123.935 122.820 0.002 0.000 1.929 143 A HA -0.043 4.277 4.320 0.000 0.000 0.216 143 A C 1.979 179.565 177.584 0.003 0.000 1.176 143 A CA 0.980 53.019 52.037 0.003 0.000 0.628 143 A CB -0.415 18.587 19.000 0.004 0.000 0.816 143 A HN 0.305 nan 8.150 nan 0.000 0.444 144 I N -0.252 120.319 120.570 0.002 0.000 2.315 144 I HA -0.230 3.940 4.170 0.000 0.000 0.248 144 I C 2.880 178.997 176.117 0.000 0.000 1.117 144 I CA 0.936 62.236 61.300 0.001 0.000 1.404 144 I CB -0.251 37.748 38.000 -0.001 0.000 1.071 144 I HN 0.340 nan 8.210 nan 0.000 0.419 145 A N 0.220 123.040 122.820 0.000 0.000 1.898 145 A HA -0.210 4.110 4.320 0.000 0.000 0.216 145 A C 2.283 179.867 177.584 0.000 0.000 1.181 145 A CA 1.302 53.339 52.037 -0.000 0.000 0.620 145 A CB -0.482 18.518 19.000 -0.001 0.000 0.819 145 A HN 0.428 nan 8.150 nan 0.000 0.442 146 Q N -0.475 119.325 119.800 0.001 0.000 2.050 146 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 146 Q C 2.203 178.203 176.000 0.001 0.000 0.980 146 Q CA 1.723 57.526 55.803 0.001 0.000 0.840 146 Q CB -0.378 28.361 28.738 0.002 0.000 0.898 146 Q HN 0.480 nan 8.270 nan 0.000 0.424 147 V N 0.613 120.529 119.914 0.003 0.000 2.295 147 V HA -0.223 3.897 4.120 0.000 0.000 0.246 147 V C 2.306 178.403 176.094 0.004 0.000 1.049 147 V CA 1.999 64.302 62.300 0.004 0.000 1.024 147 V CB -1.306 30.520 31.823 0.006 0.000 0.648 147 V HN 0.566 nan 8.190 nan 0.000 0.447 148 G N -0.476 108.325 108.800 0.003 0.000 2.505 148 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 148 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 148 G C 1.666 176.568 174.900 0.003 0.000 1.145 148 G CA 1.856 46.958 45.100 0.003 0.000 0.761 148 G HN 0.500 nan 8.290 nan 0.000 0.571 149 T N 0.844 115.399 114.554 0.001 0.000 2.937 149 T HA 0.093 4.443 4.350 0.000 0.000 0.260 149 T C 2.428 177.127 174.700 -0.002 0.000 1.051 149 T CA 0.706 62.806 62.100 -0.001 0.000 1.141 149 T CB -0.049 68.818 68.868 -0.002 0.000 0.879 149 T HN 0.276 nan 8.240 nan 0.000 0.459 150 I N 1.097 121.666 120.570 -0.002 0.000 2.252 150 I HA -0.118 4.052 4.170 0.000 0.000 0.245 150 I C 2.601 178.716 176.117 -0.003 0.000 1.102 150 I CA 0.787 62.084 61.300 -0.004 0.000 1.385 150 I CB -0.387 37.610 38.000 -0.005 0.000 1.064 150 I HN 0.131 nan 8.210 nan 0.000 0.414 151 S N 0.441 116.142 115.700 0.002 0.000 2.440 151 S HA -0.072 4.398 4.470 0.000 0.000 0.238 151 S C 1.639 176.242 174.600 0.005 0.000 1.010 151 S CA 1.345 59.548 58.200 0.006 0.000 0.972 151 S CB -0.168 63.039 63.200 0.013 0.000 0.774 151 S HN 0.549 nan 8.310 nan 0.000 0.501 152 A N 0.723 123.545 122.820 0.003 0.000 2.574 152 A HA 0.484 4.804 4.320 0.000 0.000 0.283 152 A C 0.487 178.070 177.584 -0.002 0.000 1.270 152 A CA -0.322 51.716 52.037 0.002 0.000 0.945 152 A CB -0.297 18.704 19.000 0.003 0.000 1.127 152 A HN 0.375 nan 8.150 nan 0.000 0.522 153 N N -0.094 118.603 118.700 -0.005 0.000 2.771 153 N HA -0.207 4.533 4.740 0.000 0.000 0.249 153 N C 0.267 175.772 175.510 -0.008 0.000 1.069 153 N CA 1.090 54.136 53.050 -0.008 0.000 0.688 153 N CB -1.836 36.646 38.487 -0.008 0.000 0.928 153 N HN 0.608 nan 8.380 nan 0.000 0.551 154 S N -1.942 113.754 115.700 -0.008 0.000 3.228 154 S HA -0.249 4.221 4.470 0.000 0.000 0.282 154 S C -0.254 174.343 174.600 -0.006 0.000 1.286 154 S CA 0.958 59.153 58.200 -0.008 0.000 1.066 154 S CB -1.206 61.988 63.200 -0.010 0.000 1.277 154 S HN 0.817 nan 8.310 nan 0.000 0.661 155 D N 1.251 121.648 120.400 -0.004 0.000 2.347 155 D HA 0.385 5.025 4.640 0.000 0.000 0.235 155 D C 1.006 177.304 176.300 -0.003 0.000 1.149 155 D CA -0.275 53.723 54.000 -0.003 0.000 0.850 155 D CB 0.649 41.447 40.800 -0.003 0.000 1.061 155 D HN 0.367 nan 8.370 nan 0.000 0.487 156 E N 1.273 121.471 120.200 -0.003 0.000 2.152 156 E HA -0.115 4.235 4.350 0.000 0.000 0.192 156 E C 1.502 178.101 176.600 -0.002 0.000 0.983 156 E CA 0.912 57.311 56.400 -0.002 0.000 0.818 156 E CB 0.162 29.861 29.700 -0.002 0.000 0.758 156 E HN 0.546 nan 8.360 nan 0.000 0.467 157 T N 1.093 115.646 114.554 -0.002 0.000 2.653 157 T HA -0.198 4.152 4.350 0.000 0.000 0.268 157 T C 2.130 176.829 174.700 -0.002 0.000 1.035 157 T CA 1.593 63.692 62.100 -0.002 0.000 1.154 157 T CB -0.400 68.467 68.868 -0.002 0.000 0.862 157 T HN 0.015 nan 8.240 nan 0.000 0.441 158 V N 1.396 121.310 119.914 -0.001 0.000 2.379 158 V HA 0.007 4.127 4.120 0.000 0.000 0.245 158 V C 2.960 179.054 176.094 -0.000 0.000 1.044 158 V CA 1.631 63.930 62.300 -0.000 0.000 1.036 158 V CB -1.544 30.280 31.823 0.001 0.000 0.664 158 V HN 0.603 nan 8.190 nan 0.000 0.453 159 G N -0.038 108.762 108.800 -0.000 0.000 2.513 159 G HA2 -0.369 3.591 3.960 0.000 0.000 0.219 159 G HA3 -0.369 3.591 3.960 0.000 0.000 0.219 159 G C 1.654 176.553 174.900 -0.002 0.000 1.160 159 G CA 1.397 46.497 45.100 -0.001 0.000 0.767 159 G HN 0.481 nan 8.290 nan 0.000 0.571 160 K N -0.299 120.099 120.400 -0.002 0.000 2.057 160 K HA 0.078 4.398 4.320 0.000 0.000 0.207 160 K C 2.581 179.179 176.600 -0.003 0.000 1.049 160 K CA 0.813 57.098 56.287 -0.002 0.000 0.931 160 K CB -0.251 32.248 32.500 -0.002 0.000 0.714 160 K HN 0.339 nan 8.250 nan 0.000 0.440 161 L N 0.833 122.054 121.223 -0.003 0.000 2.017 161 L HA -0.200 4.140 4.340 0.000 0.000 0.208 161 L C 2.265 179.132 176.870 -0.005 0.000 1.073 161 L CA 1.162 56.000 54.840 -0.004 0.000 0.745 161 L CB -0.244 41.813 42.059 -0.003 0.000 0.894 161 L HN 0.242 nan 8.230 nan 0.000 0.432 162 I N -0.576 119.991 120.570 -0.005 0.000 2.113 162 I HA -0.300 3.870 4.170 0.000 0.000 0.238 162 I C 2.798 178.911 176.117 -0.007 0.000 1.070 162 I CA 1.206 62.502 61.300 -0.007 0.000 1.332 162 I CB -0.704 37.293 38.000 -0.005 0.000 1.044 162 I HN 0.204 nan 8.210 nan 0.000 0.402 163 A N 0.559 123.375 122.820 -0.005 0.000 1.958 163 A HA -0.275 4.045 4.320 0.000 0.000 0.221 163 A C 2.219 179.800 177.584 -0.006 0.000 1.178 163 A CA 2.119 54.153 52.037 -0.005 0.000 0.642 163 A CB -0.704 18.294 19.000 -0.003 0.000 0.816 163 A HN 0.524 nan 8.150 nan 0.000 0.453 164 E N -0.632 119.565 120.200 -0.006 0.000 2.028 164 E HA -0.048 4.302 4.350 0.000 0.000 0.190 164 E C 2.442 179.038 176.600 -0.008 0.000 0.984 164 E CA 0.812 57.209 56.400 -0.006 0.000 0.800 164 E CB -0.321 29.376 29.700 -0.005 0.000 0.758 164 E HN 0.607 nan 8.360 nan 0.000 0.448 165 A N 1.262 124.077 122.820 -0.009 0.000 1.917 165 A HA -0.227 4.093 4.320 0.000 0.000 0.219 165 A C 2.169 179.745 177.584 -0.013 0.000 1.182 165 A CA 1.612 53.642 52.037 -0.011 0.000 0.633 165 A CB -0.478 18.514 19.000 -0.014 0.000 0.819 165 A HN 0.164 nan 8.150 nan 0.000 0.448 166 M N -1.469 118.123 119.600 -0.013 0.000 2.156 166 M HA -0.119 4.361 4.480 0.000 0.000 0.264 166 M C 1.921 178.214 176.300 -0.010 0.000 1.067 166 M CA 1.763 57.056 55.300 -0.013 0.000 1.131 166 M CB -0.487 32.105 32.600 -0.013 0.000 1.368 166 M HN 0.429 nan 8.290 nan 0.000 0.416 167 D N 0.680 121.075 120.400 -0.008 0.000 2.158 167 D HA -0.170 4.470 4.640 0.000 0.000 0.197 167 D C 1.966 178.262 176.300 -0.007 0.000 0.995 167 D CA 1.260 55.256 54.000 -0.007 0.000 0.846 167 D CB 0.189 40.986 40.800 -0.005 0.000 0.941 167 D HN 0.026 nan 8.370 nan 0.000 0.456 168 K N -0.204 120.191 120.400 -0.008 0.000 1.973 168 K HA -0.055 4.265 4.320 0.000 0.000 0.210 168 K C 2.103 178.698 176.600 -0.008 0.000 1.045 168 K CA 1.458 57.740 56.287 -0.008 0.000 0.937 168 K CB -0.703 31.791 32.500 -0.008 0.000 0.721 168 K HN 0.277 nan 8.250 nan 0.000 0.438 169 V N -2.670 117.237 119.914 -0.010 0.000 3.647 169 V HA 0.332 4.452 4.120 0.000 0.000 0.279 169 V C 0.914 177.002 176.094 -0.011 0.000 1.314 169 V CA 0.297 62.591 62.300 -0.011 0.000 1.125 169 V CB -0.514 31.300 31.823 -0.013 0.000 0.907 169 V HN 0.442 nan 8.190 nan 0.000 0.434 170 G N 1.104 109.898 108.800 -0.010 0.000 2.610 170 G HA2 -0.184 3.776 3.960 0.000 0.000 0.304 170 G HA3 -0.184 3.776 3.960 0.000 0.000 0.304 170 G C 0.127 175.020 174.900 -0.012 0.000 1.309 170 G CA 0.061 45.155 45.100 -0.010 0.000 0.906 170 G HN 0.248 nan 8.290 nan 0.000 0.521 171 K N 0.181 120.575 120.400 -0.010 0.000 2.228 171 K HA 0.051 4.371 4.320 0.000 0.000 0.202 171 K C 1.482 178.073 176.600 -0.014 0.000 1.051 171 K CA 1.413 57.693 56.287 -0.011 0.000 0.960 171 K CB 0.063 32.559 32.500 -0.007 0.000 0.743 171 K HN 0.457 nan 8.250 nan 0.000 0.458 172 E N 0.410 120.602 120.200 -0.013 0.000 2.501 172 E HA 0.066 4.416 4.350 0.000 0.000 0.201 172 E C 0.485 177.074 176.600 -0.018 0.000 1.016 172 E CA -0.034 56.357 56.400 -0.015 0.000 0.920 172 E CB 0.860 30.555 29.700 -0.009 0.000 1.023 172 E HN 0.172 nan 8.360 nan 0.000 0.474 173 G N 1.247 110.035 108.800 -0.019 0.000 2.390 173 G HA2 0.260 4.220 3.960 0.000 0.000 0.270 173 G HA3 0.260 4.220 3.960 0.000 0.000 0.270 173 G C 0.311 175.194 174.900 -0.028 0.000 1.211 173 G CA -0.456 44.632 45.100 -0.020 0.000 0.842 173 G HN -0.055 nan 8.290 nan 0.000 0.519 174 V N 3.552 123.450 119.914 -0.027 0.000 2.458 174 V HA 0.074 4.194 4.120 0.000 0.000 0.287 174 V C 0.441 176.514 176.094 -0.035 0.000 1.009 174 V CA 0.634 62.912 62.300 -0.036 0.000 1.091 174 V CB -0.531 31.275 31.823 -0.029 0.000 0.960 174 V HN 0.454 nan 8.190 nan 0.000 0.476 175 I N 4.749 125.292 120.570 -0.046 0.000 2.465 175 I HA 0.582 4.752 4.170 0.000 0.000 0.291 175 I C 0.108 176.200 176.117 -0.042 0.000 1.014 175 I CA -0.180 61.097 61.300 -0.039 0.000 1.093 175 I CB 2.273 40.251 38.000 -0.038 0.000 1.267 175 I HN 0.498 nan 8.210 nan 0.000 0.431 176 T N 4.550 119.085 114.554 -0.030 0.000 2.907 176 T HA 0.616 4.966 4.350 0.000 0.000 0.292 176 T C -1.074 173.617 174.700 -0.016 0.000 1.043 176 T CA -0.708 61.377 62.100 -0.025 0.000 1.003 176 T CB 2.607 71.461 68.868 -0.024 0.000 1.084 176 T HN 0.375 nan 8.240 nan 0.000 0.483 177 V N 2.296 122.205 119.914 -0.009 0.000 2.686 177 V HA 0.769 4.889 4.120 0.000 0.000 0.306 177 V C -1.130 174.964 176.094 -0.001 0.000 1.065 177 V CA -0.514 61.784 62.300 -0.004 0.000 0.894 177 V CB 1.490 33.313 31.823 0.000 0.000 1.004 177 V HN 1.079 nan 8.190 nan 0.000 0.424 178 E N 3.889 124.087 120.200 -0.002 0.000 2.442 178 E HA 0.543 4.893 4.350 0.000 0.000 0.261 178 E C -1.427 175.171 176.600 -0.002 0.000 0.935 178 E CA -1.130 55.269 56.400 -0.002 0.000 0.856 178 E CB 1.192 30.890 29.700 -0.004 0.000 1.571 178 E HN 0.516 nan 8.360 nan 0.000 0.431 179 D N -0.132 120.267 120.400 -0.002 0.000 2.368 179 D HA 0.307 4.947 4.640 0.000 0.000 0.240 179 D C -0.045 176.253 176.300 -0.004 0.000 1.169 179 D CA 0.256 54.255 54.000 -0.002 0.000 0.906 179 D CB 1.100 41.898 40.800 -0.003 0.000 1.187 179 D HN 0.532 nan 8.370 nan 0.000 0.435 180 G N -1.318 107.480 108.800 -0.003 0.000 2.454 180 G HA2 0.363 4.323 3.960 0.000 0.000 0.329 180 G HA3 0.363 4.323 3.960 0.000 0.000 0.329 180 G C 0.887 175.784 174.900 -0.004 0.000 1.177 180 G CA -0.473 44.625 45.100 -0.004 0.000 0.951 180 G HN 0.397 nan 8.290 nan 0.000 0.485 181 T N -2.377 112.174 114.554 -0.005 0.000 3.085 181 T HA 0.452 4.802 4.350 0.000 0.000 0.263 181 T C 1.094 175.792 174.700 -0.004 0.000 1.127 181 T CA 0.890 62.987 62.100 -0.005 0.000 1.103 181 T CB -0.110 68.755 68.868 -0.005 0.000 0.921 181 T HN 1.833 nan 8.240 nan 0.000 0.510 182 G N 0.374 109.171 108.800 -0.004 0.000 2.337 182 G HA2 0.314 4.274 3.960 0.000 0.000 0.298 182 G HA3 0.314 4.274 3.960 0.000 0.000 0.298 182 G C -1.462 173.436 174.900 -0.003 0.000 1.335 182 G CA -0.777 44.321 45.100 -0.003 0.000 0.875 182 G HN 0.276 nan 8.290 nan 0.000 0.579 183 L N 1.229 122.450 121.223 -0.003 0.000 2.865 183 L HA 0.261 4.601 4.340 0.000 0.000 0.283 183 L C -0.147 176.722 176.870 -0.003 0.000 1.101 183 L CA 1.643 56.481 54.840 -0.003 0.000 1.061 183 L CB -1.271 40.787 42.059 -0.003 0.000 1.437 183 L HN 0.789 nan 8.230 nan 0.000 0.460 184 Q N 2.958 122.756 119.800 -0.003 0.000 3.449 184 Q HA 0.035 4.375 4.340 0.000 0.000 0.138 184 Q C -1.671 174.327 176.000 -0.003 0.000 0.988 184 Q CA -0.486 55.315 55.803 -0.003 0.000 1.222 184 Q CB 0.602 29.338 28.738 -0.003 0.000 1.798 184 Q HN 0.599 nan 8.270 nan 0.000 0.590 185 D N 3.247 123.645 120.400 -0.003 0.000 2.249 185 D HA 0.255 4.895 4.640 0.000 0.000 0.246 185 D C -0.370 175.927 176.300 -0.004 0.000 1.114 185 D CA 0.033 54.030 54.000 -0.004 0.000 0.854 185 D CB 1.239 42.037 40.800 -0.003 0.000 1.132 185 D HN 0.303 nan 8.370 nan 0.000 0.461 186 E N 0.649 120.846 120.200 -0.005 0.000 2.235 186 E HA 0.591 4.941 4.350 0.000 0.000 0.265 186 E C -0.865 175.731 176.600 -0.006 0.000 0.940 186 E CA -1.021 55.376 56.400 -0.005 0.000 0.819 186 E CB 2.216 31.912 29.700 -0.006 0.000 1.206 186 E HN 0.069 nan 8.360 nan 0.000 0.409 187 L N 2.350 123.570 121.223 -0.006 0.000 2.504 187 L HA 0.358 4.698 4.340 0.000 0.000 0.265 187 L C -1.978 174.887 176.870 -0.007 0.000 0.975 187 L CA -0.251 54.585 54.840 -0.007 0.000 0.864 187 L CB 1.356 43.411 42.059 -0.007 0.000 1.212 187 L HN 0.403 nan 8.230 nan 0.000 0.416 188 D N 4.373 124.768 120.400 -0.008 0.000 2.696 188 D HA 0.371 5.011 4.640 0.000 0.000 0.251 188 D C -0.672 175.623 176.300 -0.009 0.000 1.188 188 D CA -0.224 53.771 54.000 -0.008 0.000 0.876 188 D CB 3.031 43.826 40.800 -0.008 0.000 1.334 188 D HN 0.158 nan 8.370 nan 0.000 0.540 189 V N 2.502 122.411 119.914 -0.008 0.000 2.427 189 V HA 0.254 4.374 4.120 0.000 0.000 0.268 189 V C 0.697 176.786 176.094 -0.007 0.000 1.046 189 V CA -0.418 61.878 62.300 -0.008 0.000 0.970 189 V CB 0.981 32.800 31.823 -0.007 0.000 1.001 189 V HN 0.395 nan 8.190 nan 0.000 0.476 190 V N 2.187 122.097 119.914 -0.008 0.000 3.019 190 V HA 0.657 4.777 4.120 0.000 0.000 0.317 190 V C -0.026 176.065 176.094 -0.005 0.000 1.094 190 V CA -1.092 61.204 62.300 -0.007 0.000 1.000 190 V CB 2.067 33.884 31.823 -0.009 0.000 1.060 190 V HN 0.646 nan 8.190 nan 0.000 0.443 191 E N 2.018 122.216 120.200 -0.004 0.000 2.238 191 E HA 0.466 4.816 4.350 0.000 0.000 0.264 191 E C 0.228 176.829 176.600 0.003 0.000 1.136 191 E CA 0.736 57.136 56.400 -0.000 0.000 0.929 191 E CB 0.620 30.320 29.700 -0.001 0.000 1.010 191 E HN 1.068 nan 8.360 nan 0.000 0.440 192 G N 1.930 110.734 108.800 0.006 0.000 2.694 192 G HA2 0.716 4.676 3.960 0.000 0.000 0.290 192 G HA3 0.716 4.676 3.960 0.000 0.000 0.290 192 G C -0.971 173.944 174.900 0.025 0.000 1.386 192 G CA -0.585 44.522 45.100 0.013 0.000 0.872 192 G HN 0.369 nan 8.290 nan 0.000 0.475 193 M N 0.071 119.697 119.600 0.043 0.000 2.520 193 M HA 0.471 4.951 4.480 0.000 0.000 0.280 193 M C -1.767 174.581 176.300 0.079 0.000 1.232 193 M CA -0.676 54.666 55.300 0.069 0.000 0.892 193 M CB 2.821 35.480 32.600 0.099 0.000 1.728 193 M HN 0.661 nan 8.290 nan 0.000 0.475 194 Q N 3.140 122.985 119.800 0.074 0.000 2.372 194 Q HA 0.725 5.065 4.340 0.000 0.000 0.273 194 Q C -2.108 173.959 176.000 0.111 0.000 1.078 194 Q CA -0.633 55.173 55.803 0.005 0.000 0.806 194 Q CB 2.389 31.089 28.738 -0.064 0.000 1.332 194 Q HN 0.607 nan 8.270 nan 0.000 0.435 195 F N -0.373 119.573 119.950 -0.007 0.000 2.629 195 F HA 0.510 5.037 4.527 0.000 0.000 0.316 195 F C -0.506 175.291 175.800 -0.005 0.000 1.081 195 F CA -1.157 56.840 58.000 -0.004 0.000 0.954 195 F CB 1.067 40.066 39.000 -0.001 0.000 1.337 195 F HN 0.336 nan 8.300 nan 0.000 0.474 196 D N 2.063 122.593 120.400 0.216 0.000 3.008 196 D HA 0.148 4.788 4.640 0.000 0.000 0.242 196 D C -0.262 176.112 176.300 0.124 0.000 1.222 196 D CA 0.337 54.398 54.000 0.101 0.000 0.883 196 D CB -0.216 40.641 40.800 0.096 0.000 1.110 196 D HN 0.273 nan 8.370 nan 0.000 0.455 197 R N -0.030 120.547 120.500 0.128 0.000 2.574 197 R HA 0.555 4.895 4.340 0.000 0.000 0.288 197 R C 0.441 176.715 176.300 -0.044 0.000 1.004 197 R CA -0.653 55.528 56.100 0.135 0.000 0.895 197 R CB 2.211 32.748 30.300 0.395 0.000 1.191 197 R HN 0.108 nan 8.270 nan 0.000 0.444 198 G N 1.198 109.936 108.800 -0.105 0.000 2.736 198 G HA2 0.384 4.344 3.960 0.000 0.000 0.229 198 G HA3 0.384 4.344 3.960 0.000 0.000 0.229 198 G C -0.820 173.990 174.900 -0.150 0.000 1.380 198 G CA -0.390 44.554 45.100 -0.260 0.000 1.040 198 G HN 0.460 nan 8.290 nan 0.000 0.568 199 Y N -0.895 119.452 120.300 0.078 0.000 2.319 199 Y HA 0.534 5.084 4.550 0.000 0.000 0.328 199 Y C 1.172 177.176 175.900 0.172 0.000 1.133 199 Y CA -1.394 56.788 58.100 0.136 0.000 1.265 199 Y CB 0.953 39.532 38.460 0.198 0.000 1.218 199 Y HN 0.187 nan 8.280 nan 0.000 0.508 200 L N 1.689 123.154 121.223 0.403 0.000 2.465 200 L HA 0.019 4.359 4.340 0.000 0.000 0.224 200 L C 0.643 177.743 176.870 0.384 0.000 1.145 200 L CA 1.148 56.184 54.840 0.328 0.000 0.834 200 L CB 0.008 42.227 42.059 0.266 0.000 0.944 200 L HN 0.808 nan 8.230 nan 0.000 0.451 201 S N -2.443 113.571 115.700 0.524 0.000 2.535 201 S HA 0.423 4.893 4.470 0.000 0.000 0.272 201 S C -2.546 172.090 174.600 0.059 0.000 1.149 201 S CA -1.188 57.167 58.200 0.259 0.000 0.888 201 S CB 1.612 64.866 63.200 0.090 0.000 1.110 201 S HN -0.277 nan 8.310 nan 0.000 0.463 202 P HA 0.360 nan 4.420 nan 0.000 0.317 202 P C -0.090 176.951 177.300 -0.432 0.000 1.316 202 P CA 0.407 63.197 63.100 -0.518 0.000 0.744 202 P CB 0.025 31.364 31.700 -0.602 0.000 1.521 203 Y N -5.024 115.072 120.300 -0.341 0.000 3.299 203 Y HA -0.292 4.258 4.550 0.000 0.000 0.448 203 Y C 1.793 177.542 175.900 -0.253 0.000 1.224 203 Y CA 1.296 59.211 58.100 -0.308 0.000 2.431 203 Y CB -3.093 35.132 38.460 -0.392 0.000 0.866 203 Y HN 0.112 nan 8.280 nan 0.000 0.499 204 F N 0.446 120.405 119.950 0.014 0.000 2.365 204 F HA 0.009 4.536 4.527 0.000 0.000 0.300 204 F C 1.373 177.129 175.800 -0.074 0.000 1.090 204 F CA 0.427 58.416 58.000 -0.018 0.000 1.408 204 F CB -0.620 38.372 39.000 -0.013 0.000 1.060 204 F HN -0.055 nan 8.300 nan 0.000 0.534 205 I N 2.276 122.827 120.570 -0.032 0.000 2.664 205 I HA -0.119 4.051 4.170 0.000 0.000 0.284 205 I C 0.840 176.947 176.117 -0.017 0.000 1.154 205 I CA 0.247 61.501 61.300 -0.077 0.000 1.402 205 I CB 0.102 37.981 38.000 -0.202 0.000 1.395 205 I HN 0.134 nan 8.210 nan 0.000 0.545 206 N N 4.636 123.343 118.700 0.012 0.000 2.220 206 N HA 0.028 4.768 4.740 0.000 0.000 0.195 206 N C 0.076 175.589 175.510 0.004 0.000 1.123 206 N CA 0.074 53.134 53.050 0.015 0.000 0.874 206 N CB 0.445 38.951 38.487 0.032 0.000 0.995 206 N HN 0.305 nan 8.380 nan 0.000 0.498 207 K N 1.201 121.602 120.400 0.001 0.000 2.682 207 K HA 0.288 4.608 4.320 0.000 0.000 0.189 207 K C -2.077 174.518 176.600 -0.009 0.000 1.062 207 K CA -1.656 54.631 56.287 -0.000 0.000 0.997 207 K CB 1.831 34.337 32.500 0.010 0.000 1.405 207 K HN 0.048 nan 8.250 nan 0.000 0.588 208 P HA -0.158 nan 4.420 nan 0.000 0.221 208 P C 0.573 177.860 177.300 -0.021 0.000 1.145 208 P CA 1.138 64.220 63.100 -0.030 0.000 0.795 208 P CB 0.501 32.182 31.700 -0.031 0.000 0.775 209 E N -0.171 120.022 120.200 -0.013 0.000 2.038 209 E HA -0.158 4.192 4.350 0.000 0.000 0.195 209 E C 2.032 178.625 176.600 -0.012 0.000 1.000 209 E CA 2.298 58.691 56.400 -0.012 0.000 0.803 209 E CB -1.603 28.092 29.700 -0.007 0.000 0.750 209 E HN 0.392 nan 8.360 nan 0.000 0.448 210 T N -3.232 111.320 114.554 -0.003 0.000 3.054 210 T HA 0.239 4.589 4.350 0.000 0.000 0.259 210 T C 1.505 176.212 174.700 0.012 0.000 1.092 210 T CA 0.265 62.367 62.100 0.002 0.000 1.121 210 T CB 0.026 68.904 68.868 0.017 0.000 0.912 210 T HN 0.352 nan 8.240 nan 0.000 0.489 211 G N 1.256 110.062 108.800 0.011 0.000 2.289 211 G HA2 0.206 4.166 3.960 0.000 0.000 0.280 211 G HA3 0.206 4.166 3.960 0.000 0.000 0.280 211 G C -0.024 174.931 174.900 0.091 0.000 1.089 211 G CA -0.169 44.945 45.100 0.022 0.000 0.939 211 G HN 1.241 nan 8.290 nan 0.000 0.499 212 A N -0.880 121.983 122.820 0.071 0.000 2.475 212 A HA 0.870 5.190 4.320 0.000 0.000 0.301 212 A C -0.190 177.442 177.584 0.081 0.000 1.059 212 A CA -0.338 51.771 52.037 0.121 0.000 0.710 212 A CB 2.048 21.104 19.000 0.092 0.000 1.288 212 A HN 1.353 nan 8.150 nan 0.000 0.408 213 V N 1.552 121.537 119.914 0.118 0.000 2.461 213 V HA 0.410 4.530 4.120 0.000 0.000 0.275 213 V C 0.266 176.393 176.094 0.056 0.000 1.047 213 V CA -0.106 62.245 62.300 0.086 0.000 0.955 213 V CB 1.011 32.908 31.823 0.123 0.000 0.988 213 V HN 0.899 nan 8.190 nan 0.000 0.471 214 E N 5.234 125.457 120.200 0.039 0.000 2.235 214 E HA 0.549 4.899 4.350 0.000 0.000 0.252 214 E C -1.534 175.077 176.600 0.018 0.000 0.886 214 E CA -0.530 55.884 56.400 0.023 0.000 0.767 214 E CB 1.129 30.839 29.700 0.018 0.000 1.205 214 E HN 0.661 nan 8.360 nan 0.000 0.421 215 L N 3.782 125.012 121.223 0.012 0.000 2.333 215 L HA 0.481 4.821 4.340 0.000 0.000 0.280 215 L C -0.157 176.709 176.870 -0.006 0.000 1.004 215 L CA -0.740 54.104 54.840 0.006 0.000 0.820 215 L CB 1.812 43.875 42.059 0.006 0.000 1.247 215 L HN 0.458 nan 8.230 nan 0.000 0.416 216 E N 1.512 121.705 120.200 -0.011 0.000 2.191 216 E HA 0.327 4.677 4.350 0.000 0.000 0.278 216 E C -0.225 176.348 176.600 -0.044 0.000 0.972 216 E CA -0.586 55.800 56.400 -0.024 0.000 0.804 216 E CB 1.535 31.224 29.700 -0.018 0.000 1.110 216 E HN 0.609 nan 8.360 nan 0.000 0.394 217 S N 1.264 116.924 115.700 -0.066 0.000 3.550 217 S HA -0.131 4.339 4.470 0.000 0.000 0.372 217 S C -2.480 172.017 174.600 -0.172 0.000 0.966 217 S CA 0.131 58.261 58.200 -0.117 0.000 1.229 217 S CB -1.531 61.606 63.200 -0.105 0.000 0.917 217 S HN 0.410 nan 8.310 nan 0.000 0.496 218 P HA 0.621 nan 4.420 nan 0.000 0.292 218 P C 0.127 177.328 177.300 -0.165 0.000 1.283 218 P CA -0.792 62.248 63.100 -0.099 0.000 0.835 218 P CB 0.485 32.173 31.700 -0.021 0.000 1.017 219 F N 1.371 121.322 119.950 0.001 0.000 2.444 219 F HA 0.307 4.834 4.527 0.000 0.000 0.331 219 F C 0.982 176.783 175.800 0.001 0.000 1.167 219 F CA 0.430 58.431 58.000 0.001 0.000 1.262 219 F CB 0.262 39.261 39.000 -0.000 0.000 1.196 219 F HN 0.068 nan 8.300 nan 0.000 0.583 220 I N 3.142 123.838 120.570 0.211 0.000 2.476 220 I HA 0.187 4.357 4.170 0.000 0.000 0.281 220 I C -1.233 174.940 176.117 0.092 0.000 1.040 220 I CA -0.683 60.685 61.300 0.113 0.000 1.094 220 I CB 1.707 39.752 38.000 0.075 0.000 1.219 220 I HN 0.298 nan 8.210 nan 0.000 0.450 221 L N 8.230 129.492 121.223 0.065 0.000 2.312 221 L HA 0.410 4.750 4.340 0.000 0.000 0.287 221 L C -0.917 175.965 176.870 0.020 0.000 1.091 221 L CA 0.181 55.043 54.840 0.036 0.000 0.846 221 L CB 0.152 42.223 42.059 0.020 0.000 1.219 221 L HN 0.468 nan 8.230 nan 0.000 0.439 222 L N 6.067 127.299 121.223 0.015 0.000 2.255 222 L HA 0.710 5.050 4.340 0.000 0.000 0.289 222 L C 0.099 176.966 176.870 -0.005 0.000 1.046 222 L CA -0.060 54.779 54.840 -0.001 0.000 0.816 222 L CB 0.989 43.045 42.059 -0.005 0.000 1.197 222 L HN 0.761 nan 8.230 nan 0.000 0.427 223 A N 2.120 124.935 122.820 -0.009 0.000 2.374 223 A HA 0.425 4.745 4.320 0.000 0.000 0.305 223 A C -0.884 176.694 177.584 -0.010 0.000 1.053 223 A CA -0.596 51.436 52.037 -0.007 0.000 0.726 223 A CB 1.236 20.235 19.000 -0.002 0.000 1.229 223 A HN 0.631 nan 8.150 nan 0.000 0.431 224 D N 2.187 122.581 120.400 -0.010 0.000 2.558 224 D HA 0.418 5.058 4.640 0.000 0.000 0.221 224 D C -0.065 176.234 176.300 -0.002 0.000 1.143 224 D CA 0.353 54.347 54.000 -0.010 0.000 1.010 224 D CB -0.489 40.303 40.800 -0.013 0.000 1.068 224 D HN 0.573 nan 8.370 nan 0.000 0.511 225 K N -0.112 120.289 120.400 0.003 0.000 2.736 225 K HA 0.296 4.616 4.320 0.000 0.000 0.290 225 K C -1.147 175.461 176.600 0.014 0.000 1.033 225 K CA -1.185 55.107 56.287 0.008 0.000 0.852 225 K CB 0.673 33.177 32.500 0.007 0.000 1.494 225 K HN -0.180 nan 8.250 nan 0.000 0.378 226 K N 1.527 121.938 120.400 0.018 0.000 2.312 226 K HA 0.317 4.637 4.320 0.000 0.000 0.287 226 K C -0.545 176.067 176.600 0.021 0.000 1.062 226 K CA -0.292 56.009 56.287 0.023 0.000 0.934 226 K CB 0.466 32.981 32.500 0.025 0.000 1.027 226 K HN 0.383 nan 8.250 nan 0.000 0.478 227 I N 2.843 123.428 120.570 0.025 0.000 2.313 227 I HA 0.048 4.218 4.170 0.000 0.000 0.286 227 I C 0.546 176.681 176.117 0.029 0.000 1.091 227 I CA -0.006 61.308 61.300 0.024 0.000 1.216 227 I CB 1.084 39.098 38.000 0.023 0.000 1.434 227 I HN 0.587 nan 8.210 nan 0.000 0.487 228 S N 3.072 118.787 115.700 0.025 0.000 2.535 228 S HA 0.194 4.664 4.470 0.000 0.000 0.214 228 S C 0.564 175.178 174.600 0.023 0.000 0.980 228 S CA 0.055 58.271 58.200 0.026 0.000 0.907 228 S CB -0.118 63.096 63.200 0.023 0.000 0.790 228 S HN 0.560 nan 8.310 nan 0.000 0.510 229 N N 0.857 119.569 118.700 0.019 0.000 2.314 229 N HA 0.388 5.128 4.740 0.000 0.000 0.294 229 N C -0.318 175.202 175.510 0.016 0.000 1.029 229 N CA -0.311 52.749 53.050 0.016 0.000 0.845 229 N CB 1.873 40.367 38.487 0.011 0.000 1.321 229 N HN 0.054 nan 8.380 nan 0.000 0.481 230 I N 1.724 122.303 120.570 0.016 0.000 3.793 230 I HA 0.084 4.254 4.170 0.000 0.000 0.315 230 I C 2.164 178.286 176.117 0.009 0.000 1.275 230 I CA 0.122 61.432 61.300 0.016 0.000 1.214 230 I CB 0.151 38.163 38.000 0.020 0.000 1.018 230 I HN 0.444 nan 8.210 nan 0.000 0.439 231 R N 1.129 121.633 120.500 0.007 0.000 2.083 231 R HA -0.211 4.129 4.340 0.000 0.000 0.237 231 R C 1.814 178.114 176.300 0.001 0.000 1.137 231 R CA 2.135 58.237 56.100 0.003 0.000 0.951 231 R CB -0.141 30.161 30.300 0.003 0.000 0.851 231 R HN 0.451 nan 8.270 nan 0.000 0.434 232 E N -0.199 120.002 120.200 0.002 0.000 2.153 232 E HA -0.186 4.164 4.350 0.000 0.000 0.194 232 E C 1.766 178.364 176.600 -0.004 0.000 0.988 232 E CA 1.058 57.458 56.400 -0.000 0.000 0.811 232 E CB -0.016 29.685 29.700 0.002 0.000 0.746 232 E HN 0.375 nan 8.360 nan 0.000 0.466 233 M N 0.364 119.963 119.600 -0.001 0.000 2.556 233 M HA 0.066 4.546 4.480 0.000 0.000 0.245 233 M C 1.930 178.224 176.300 -0.009 0.000 1.128 233 M CA 0.524 55.821 55.300 -0.004 0.000 1.069 233 M CB -0.318 32.285 32.600 0.005 0.000 1.469 233 M HN 0.147 nan 8.290 nan 0.000 0.494 234 L N 1.284 122.502 121.223 -0.008 0.000 1.955 234 L HA -0.180 4.160 4.340 0.000 0.000 0.213 234 L C -0.200 176.658 176.870 -0.020 0.000 1.072 234 L CA 1.768 56.601 54.840 -0.011 0.000 0.755 234 L CB -2.399 39.655 42.059 -0.008 0.000 0.888 234 L HN 0.163 nan 8.230 nan 0.000 0.432 235 P HA -0.132 nan 4.420 nan 0.000 0.219 235 P C 1.702 178.975 177.300 -0.046 0.000 1.146 235 P CA 1.413 64.494 63.100 -0.031 0.000 0.808 235 P CB 0.037 31.721 31.700 -0.027 0.000 0.779 236 V N -0.172 119.715 119.914 -0.045 0.000 2.379 236 V HA -0.118 4.002 4.120 0.000 0.000 0.243 236 V C 2.784 178.834 176.094 -0.073 0.000 1.035 236 V CA 1.114 63.375 62.300 -0.066 0.000 1.035 236 V CB -1.258 30.536 31.823 -0.049 0.000 0.673 236 V HN -0.033 nan 8.190 nan 0.000 0.457 237 L N 0.129 121.326 121.223 -0.043 0.000 2.127 237 L HA -0.190 4.150 4.340 0.000 0.000 0.211 237 L C 2.484 179.332 176.870 -0.037 0.000 1.089 237 L CA 1.631 56.452 54.840 -0.031 0.000 0.757 237 L CB -0.507 41.546 42.059 -0.010 0.000 0.899 237 L HN 0.431 nan 8.230 nan 0.000 0.434 238 E N -0.426 119.749 120.200 -0.041 0.000 2.371 238 E HA -0.053 4.297 4.350 0.000 0.000 0.194 238 E C 2.106 178.672 176.600 -0.056 0.000 1.012 238 E CA 0.712 57.090 56.400 -0.037 0.000 0.860 238 E CB 0.009 29.691 29.700 -0.030 0.000 0.811 238 E HN 0.481 nan 8.360 nan 0.000 0.502 239 A N 0.683 123.449 122.820 -0.091 0.000 2.081 239 A HA 0.027 4.347 4.320 0.000 0.000 0.214 239 A C 2.117 179.578 177.584 -0.204 0.000 1.158 239 A CA 0.365 52.319 52.037 -0.138 0.000 0.724 239 A CB 0.258 19.158 19.000 -0.167 0.000 0.826 239 A HN 0.095 nan 8.150 nan 0.000 0.463 240 V N -0.756 119.052 119.914 -0.178 0.000 3.590 240 V HA 0.062 4.182 4.120 0.000 0.000 0.265 240 V C 2.621 178.711 176.094 -0.007 0.000 1.239 240 V CA 0.947 63.166 62.300 -0.134 0.000 1.117 240 V CB -0.169 31.605 31.823 -0.081 0.000 0.818 240 V HN 0.535 nan 8.190 nan 0.000 0.451 241 A N 0.254 123.062 122.820 -0.020 0.000 1.898 241 A HA -0.076 4.244 4.320 0.000 0.000 0.216 241 A C 1.402 178.994 177.584 0.012 0.000 1.181 241 A CA 0.988 53.027 52.037 0.004 0.000 0.620 241 A CB -0.173 18.824 19.000 -0.006 0.000 0.819 241 A HN 0.523 nan 8.150 nan 0.000 0.442 242 K N -1.863 118.535 120.400 -0.003 0.000 2.219 242 K HA 0.431 4.751 4.320 0.000 0.000 0.258 242 K C 0.919 177.546 176.600 0.046 0.000 1.008 242 K CA 0.291 56.584 56.287 0.010 0.000 0.928 242 K CB 0.372 32.867 32.500 -0.008 0.000 0.983 242 K HN 0.748 nan 8.250 nan 0.000 0.484 243 A N 1.282 124.136 122.820 0.058 0.000 4.159 243 A HA -0.200 4.120 4.320 0.000 0.000 0.263 243 A C 1.111 178.751 177.584 0.094 0.000 0.889 243 A CA 1.383 53.476 52.037 0.094 0.000 1.227 243 A CB -2.407 16.695 19.000 0.169 0.000 1.051 243 A HN 1.536 nan 8.150 nan 0.000 0.820 244 G N -0.741 108.109 108.800 0.083 0.000 2.359 244 G HA2 -0.204 3.756 3.960 0.000 0.000 0.298 244 G HA3 -0.204 3.756 3.960 0.000 0.000 0.298 244 G C -0.207 174.744 174.900 0.086 0.000 1.030 244 G CA 1.328 46.471 45.100 0.070 0.000 1.149 244 G HN 1.156 nan 8.290 nan 0.000 0.512 245 K N 0.182 120.666 120.400 0.140 0.000 2.267 245 K HA 0.522 4.842 4.320 0.000 0.000 0.246 245 K C -2.304 174.381 176.600 0.141 0.000 0.954 245 K CA -2.229 54.139 56.287 0.135 0.000 0.824 245 K CB 2.156 34.747 32.500 0.152 0.000 1.167 245 K HN 0.008 nan 8.250 nan 0.000 0.431 246 P HA 0.029 nan 4.420 nan 0.000 0.272 246 P C -1.139 176.232 177.300 0.118 0.000 1.248 246 P CA -0.367 62.778 63.100 0.075 0.000 0.799 246 P CB 0.422 32.143 31.700 0.035 0.000 0.997 247 L N 0.542 121.812 121.223 0.080 0.000 2.393 247 L HA 0.706 5.046 4.340 0.000 0.000 0.260 247 L C -1.812 175.075 176.870 0.028 0.000 1.002 247 L CA -0.919 53.974 54.840 0.090 0.000 0.818 247 L CB 1.942 44.046 42.059 0.076 0.000 1.369 247 L HN 0.122 nan 8.230 nan 0.000 0.412 248 L N 4.350 125.596 121.223 0.039 0.000 2.385 248 L HA 0.679 5.019 4.340 0.000 0.000 0.273 248 L C -1.515 175.364 176.870 0.015 0.000 0.990 248 L CA -0.318 54.528 54.840 0.009 0.000 0.821 248 L CB 1.807 43.886 42.059 0.033 0.000 1.279 248 L HN 0.419 nan 8.230 nan 0.000 0.412 249 I N 6.915 127.477 120.570 -0.013 0.000 2.371 249 I HA 0.324 4.494 4.170 0.000 0.000 0.282 249 I C -0.178 175.949 176.117 0.017 0.000 1.031 249 I CA -0.349 60.949 61.300 -0.003 0.000 1.180 249 I CB 0.783 38.769 38.000 -0.023 0.000 1.336 249 I HN 0.507 nan 8.210 nan 0.000 0.467 250 I N 5.646 126.229 120.570 0.021 0.000 2.316 250 I HA 0.472 4.642 4.170 0.000 0.000 0.286 250 I C 0.685 176.797 176.117 -0.008 0.000 1.107 250 I CA -0.120 61.186 61.300 0.011 0.000 1.219 250 I CB 0.482 38.472 38.000 -0.016 0.000 1.455 250 I HN 0.587 nan 8.210 nan 0.000 0.498 251 A N 4.064 126.888 122.820 0.006 0.000 2.312 251 A HA 0.421 4.741 4.320 0.000 0.000 0.310 251 A C 1.087 178.676 177.584 0.008 0.000 1.139 251 A CA -0.519 51.521 52.037 0.005 0.000 0.886 251 A CB 1.096 20.105 19.000 0.015 0.000 1.350 251 A HN 0.649 nan 8.150 nan 0.000 0.479 252 E N -0.855 119.351 120.200 0.011 0.000 2.150 252 E HA -0.108 4.242 4.350 0.000 0.000 0.193 252 E C -0.511 176.109 176.600 0.033 0.000 0.985 252 E CA 1.204 57.614 56.400 0.018 0.000 0.814 252 E CB 0.196 29.908 29.700 0.020 0.000 0.752 252 E HN 0.584 nan 8.360 nan 0.000 0.466 253 D N -1.505 118.917 120.400 0.036 0.000 2.685 253 D HA 0.163 4.803 4.640 0.000 0.000 0.236 253 D C -1.842 174.488 176.300 0.050 0.000 1.233 253 D CA -0.479 53.550 54.000 0.048 0.000 0.760 253 D CB 2.169 42.996 40.800 0.046 0.000 1.410 253 D HN -0.133 nan 8.370 nan 0.000 0.439 254 V N 2.660 122.614 119.914 0.066 0.000 2.443 254 V HA 0.502 4.622 4.120 0.000 0.000 0.293 254 V C -0.369 175.774 176.094 0.081 0.000 1.021 254 V CA -0.549 61.794 62.300 0.071 0.000 0.848 254 V CB 1.634 33.507 31.823 0.083 0.000 0.998 254 V HN 0.413 nan 8.190 nan 0.000 0.424 255 E N 2.452 122.691 120.200 0.065 0.000 2.343 255 E HA 0.709 5.059 4.350 0.000 0.000 0.270 255 E C 0.749 177.378 176.600 0.049 0.000 0.895 255 E CA -0.161 56.274 56.400 0.058 0.000 0.767 255 E CB 2.311 32.038 29.700 0.045 0.000 1.248 255 E HN 0.836 nan 8.360 nan 0.000 0.440 256 G N 2.115 110.942 108.800 0.044 0.000 2.665 256 G HA2 -0.465 3.495 3.960 0.000 0.000 0.326 256 G HA3 -0.465 3.495 3.960 0.000 0.000 0.326 256 G C 1.152 176.070 174.900 0.029 0.000 1.231 256 G CA 0.785 45.904 45.100 0.031 0.000 0.992 256 G HN 0.676 nan 8.290 nan 0.000 0.549 257 E N 1.149 121.363 120.200 0.023 0.000 2.065 257 E HA -0.202 4.148 4.350 0.000 0.000 0.201 257 E C 3.004 179.620 176.600 0.027 0.000 1.016 257 E CA 2.580 58.991 56.400 0.019 0.000 0.818 257 E CB -0.664 29.045 29.700 0.015 0.000 0.749 257 E HN 0.866 nan 8.360 nan 0.000 0.453 258 A N 1.183 124.025 122.820 0.036 0.000 1.845 258 A HA -0.195 4.125 4.320 0.000 0.000 0.215 258 A C 2.286 179.913 177.584 0.072 0.000 1.195 258 A CA 1.600 53.665 52.037 0.047 0.000 0.616 258 A CB -0.931 18.097 19.000 0.046 0.000 0.832 258 A HN 0.339 nan 8.150 nan 0.000 0.443 259 L N -0.230 121.044 121.223 0.085 0.000 2.043 259 L HA -0.162 4.178 4.340 0.000 0.000 0.212 259 L C 2.758 179.689 176.870 0.102 0.000 1.075 259 L CA 2.315 57.234 54.840 0.131 0.000 0.752 259 L CB -0.778 41.355 42.059 0.124 0.000 0.891 259 L HN 0.396 nan 8.230 nan 0.000 0.432 260 A N -1.814 121.031 122.820 0.042 0.000 1.877 260 A HA -0.210 4.110 4.320 0.000 0.000 0.216 260 A C 2.239 179.816 177.584 -0.011 0.000 1.186 260 A CA 2.348 54.380 52.037 -0.010 0.000 0.620 260 A CB -1.222 17.767 19.000 -0.018 0.000 0.822 260 A HN 0.506 nan 8.150 nan 0.000 0.443 261 T N 0.301 114.865 114.554 0.016 0.000 2.915 261 T HA -0.006 4.344 4.350 0.000 0.000 0.269 261 T C 1.735 176.461 174.700 0.045 0.000 1.071 261 T CA 1.225 63.335 62.100 0.017 0.000 1.132 261 T CB -0.257 68.624 68.868 0.021 0.000 0.878 261 T HN 0.330 nan 8.240 nan 0.000 0.479 262 L N 0.417 121.698 121.223 0.097 0.000 2.095 262 L HA 0.021 4.361 4.340 0.000 0.000 0.204 262 L C 2.586 179.601 176.870 0.242 0.000 1.080 262 L CA 0.631 55.581 54.840 0.184 0.000 0.759 262 L CB -0.414 41.792 42.059 0.246 0.000 0.914 262 L HN 0.117 nan 8.230 nan 0.000 0.439 263 V N -0.710 119.266 119.914 0.104 0.000 2.594 263 V HA -0.215 3.905 4.120 0.000 0.000 0.253 263 V C 2.210 178.197 176.094 -0.180 0.000 1.069 263 V CA 1.220 63.399 62.300 -0.202 0.000 1.082 263 V CB 0.166 31.764 31.823 -0.376 0.000 0.680 263 V HN 0.203 nan 8.190 nan 0.000 0.469 264 V N -0.312 119.541 119.914 -0.102 0.000 2.500 264 V HA -0.088 4.032 4.120 0.000 0.000 0.243 264 V C 1.994 178.067 176.094 -0.036 0.000 1.039 264 V CA 1.655 63.894 62.300 -0.102 0.000 1.053 264 V CB -0.494 31.279 31.823 -0.083 0.000 0.695 264 V HN 0.573 nan 8.190 nan 0.000 0.463 265 N N 0.398 119.103 118.700 0.009 0.000 2.250 265 N HA -0.131 4.609 4.740 0.000 0.000 0.181 265 N C 1.922 177.462 175.510 0.050 0.000 1.017 265 N CA 1.734 54.800 53.050 0.027 0.000 0.866 265 N CB -0.006 38.501 38.487 0.034 0.000 0.985 265 N HN 0.621 nan 8.380 nan 0.000 0.429 266 T N -0.838 113.773 114.554 0.096 0.000 2.951 266 T HA -0.023 4.327 4.350 0.000 0.000 0.268 266 T C 1.846 176.602 174.700 0.093 0.000 1.073 266 T CA 0.556 62.734 62.100 0.129 0.000 1.134 266 T CB -0.061 68.961 68.868 0.256 0.000 0.884 266 T HN 0.084 nan 8.240 nan 0.000 0.479 267 M N 0.390 120.020 119.600 0.051 0.000 2.319 267 M HA 0.148 4.628 4.480 0.000 0.000 0.265 267 M C 2.246 178.556 176.300 0.016 0.000 1.068 267 M CA 1.090 56.405 55.300 0.024 0.000 1.118 267 M CB 0.011 32.596 32.600 -0.025 0.000 1.395 267 M HN 0.148 nan 8.290 nan 0.000 0.435 268 R N -0.670 119.837 120.500 0.012 0.000 2.310 268 R HA 0.117 4.457 4.340 0.000 0.000 0.202 268 R C 1.282 177.591 176.300 0.015 0.000 0.933 268 R CA 0.612 56.716 56.100 0.007 0.000 1.054 268 R CB 0.141 30.441 30.300 0.001 0.000 0.985 268 R HN 0.614 nan 8.270 nan 0.000 0.489 269 G N 1.535 110.350 108.800 0.026 0.000 2.284 269 G HA2 -0.280 3.680 3.960 0.000 0.000 0.230 269 G HA3 -0.280 3.680 3.960 0.000 0.000 0.230 269 G C 0.363 175.282 174.900 0.031 0.000 1.021 269 G CA -0.185 44.931 45.100 0.028 0.000 0.619 269 G HN 0.252 nan 8.290 nan 0.000 0.510 270 I N 2.598 123.185 120.570 0.028 0.000 2.933 270 I HA 0.311 4.481 4.170 0.000 0.000 0.301 270 I C 0.920 177.060 176.117 0.037 0.000 1.163 270 I CA 0.328 61.644 61.300 0.028 0.000 1.629 270 I CB -0.421 37.592 38.000 0.021 0.000 1.530 270 I HN 0.373 nan 8.210 nan 0.000 0.755 271 V N 4.341 124.279 119.914 0.039 0.000 3.814 271 V HA -0.233 3.887 4.120 0.000 0.000 0.480 271 V C 0.440 176.568 176.094 0.057 0.000 0.682 271 V CA 0.323 62.651 62.300 0.047 0.000 1.959 271 V CB -1.371 30.476 31.823 0.040 0.000 2.372 271 V HN 0.725 nan 8.190 nan 0.000 0.501 272 K N 4.109 124.544 120.400 0.059 0.000 2.351 272 K HA 0.458 4.778 4.320 0.000 0.000 0.287 272 K C -0.222 176.408 176.600 0.051 0.000 1.068 272 K CA 0.195 56.522 56.287 0.067 0.000 0.998 272 K CB 0.695 33.230 32.500 0.058 0.000 0.968 272 K HN 0.585 nan 8.250 nan 0.000 0.464 273 V N 1.751 121.693 119.914 0.046 0.000 2.628 273 V HA 0.791 4.911 4.120 0.000 0.000 0.306 273 V C -0.255 175.698 176.094 -0.234 0.000 1.045 273 V CA -1.233 61.045 62.300 -0.038 0.000 0.905 273 V CB 1.837 33.650 31.823 -0.018 0.000 0.997 273 V HN 0.717 nan 8.190 nan 0.000 0.436 274 A N 2.847 125.467 122.820 -0.334 0.000 2.371 274 A HA 0.954 5.274 4.320 0.000 0.000 0.311 274 A C -0.329 176.963 177.584 -0.487 0.000 1.068 274 A CA -0.411 51.230 52.037 -0.661 0.000 0.744 274 A CB 1.679 20.498 19.000 -0.303 0.000 1.239 274 A HN 1.451 nan 8.150 nan 0.000 0.435 275 A N 1.546 123.987 122.820 -0.631 0.000 2.318 275 A HA 0.739 5.059 4.320 0.000 0.000 0.317 275 A C -0.249 177.324 177.584 -0.018 0.000 1.159 275 A CA -0.223 51.691 52.037 -0.205 0.000 0.799 275 A CB 0.703 19.644 19.000 -0.098 0.000 1.194 275 A HN 2.169 nan 8.150 nan 0.000 0.479 276 V N 0.026 119.970 119.914 0.051 0.000 2.962 276 V HA 0.620 4.740 4.120 0.000 0.000 0.313 276 V C -0.317 175.851 176.094 0.124 0.000 1.099 276 V CA -1.220 61.156 62.300 0.126 0.000 0.971 276 V CB 1.442 33.379 31.823 0.190 0.000 1.028 276 V HN 0.844 nan 8.190 nan 0.000 0.430 277 K N 1.682 122.161 120.400 0.132 0.000 2.180 277 K HA 0.676 4.996 4.320 0.000 0.000 0.251 277 K C 0.328 176.961 176.600 0.055 0.000 1.014 277 K CA 0.233 56.574 56.287 0.091 0.000 0.913 277 K CB 1.061 33.613 32.500 0.087 0.000 1.008 277 K HN 1.106 nan 8.250 nan 0.000 0.490 278 A N 2.763 125.573 122.820 -0.017 0.000 2.354 278 A HA 0.354 4.674 4.320 0.000 0.000 0.269 278 A C -2.302 175.225 177.584 -0.095 0.000 1.109 278 A CA -1.437 50.524 52.037 -0.127 0.000 0.800 278 A CB -0.019 18.927 19.000 -0.090 0.000 1.045 278 A HN 0.369 nan 8.150 nan 0.000 0.489 279 P HA 0.430 nan 4.420 nan 0.000 0.275 279 P C 0.953 178.258 177.300 0.008 0.000 1.228 279 P CA 1.401 64.461 63.100 -0.067 0.000 0.786 279 P CB 0.789 32.389 31.700 -0.167 0.000 0.927 280 G N 1.559 110.418 108.800 0.099 0.000 2.564 280 G HA2 -0.072 3.888 3.960 0.000 0.000 0.273 280 G HA3 -0.072 3.888 3.960 0.000 0.000 0.273 280 G C -0.790 174.291 174.900 0.303 0.000 1.242 280 G CA 0.372 45.581 45.100 0.183 0.000 0.951 280 G HN 0.724 nan 8.290 nan 0.000 0.564 281 F N -2.576 117.380 119.950 0.010 0.000 2.688 281 F HA 0.687 5.214 4.527 0.000 0.000 0.308 281 F C 0.886 176.695 175.800 0.015 0.000 1.117 281 F CA 0.475 58.483 58.000 0.013 0.000 0.976 281 F CB 0.992 40.006 39.000 0.024 0.000 1.291 281 F HN 2.440 nan 8.300 nan 0.000 0.439 282 G N 2.094 110.915 108.800 0.035 0.000 2.559 282 G HA2 -0.324 3.636 3.960 0.000 0.000 0.282 282 G HA3 -0.324 3.636 3.960 0.000 0.000 0.282 282 G C 0.397 175.244 174.900 -0.088 0.000 1.177 282 G CA 0.715 45.790 45.100 -0.042 0.000 0.960 282 G HN 0.808 nan 8.290 nan 0.000 0.540 283 D N 0.943 121.261 120.400 -0.136 0.000 2.162 283 D HA 0.016 4.656 4.640 0.000 0.000 0.203 283 D C 2.523 178.757 176.300 -0.111 0.000 0.967 283 D CA 1.492 55.432 54.000 -0.100 0.000 0.840 283 D CB -0.191 40.557 40.800 -0.086 0.000 0.972 283 D HN 0.656 nan 8.370 nan 0.000 0.482 284 R N 0.753 121.156 120.500 -0.162 0.000 2.275 284 R HA 0.117 4.457 4.340 0.000 0.000 0.199 284 R C 1.967 178.197 176.300 -0.117 0.000 0.989 284 R CA 0.390 56.406 56.100 -0.141 0.000 1.016 284 R CB -0.052 30.145 30.300 -0.171 0.000 0.918 284 R HN -0.007 nan 8.270 nan 0.000 0.473 285 R N 1.681 122.115 120.500 -0.110 0.000 2.073 285 R HA -0.035 4.305 4.340 0.000 0.000 0.229 285 R C 1.146 177.401 176.300 -0.076 0.000 1.120 285 R CA 1.452 57.506 56.100 -0.077 0.000 0.967 285 R CB 0.027 30.306 30.300 -0.034 0.000 0.862 285 R HN 0.272 nan 8.270 nan 0.000 0.436 286 K N 0.054 120.415 120.400 -0.064 0.000 2.217 286 K HA 0.041 4.361 4.320 0.000 0.000 0.202 286 K C 2.013 178.578 176.600 -0.058 0.000 1.051 286 K CA 0.998 57.252 56.287 -0.054 0.000 0.952 286 K CB 0.042 32.518 32.500 -0.040 0.000 0.736 286 K HN 0.179 nan 8.250 nan 0.000 0.453 287 A N 1.428 124.209 122.820 -0.064 0.000 1.929 287 A HA -0.037 4.283 4.320 0.000 0.000 0.216 287 A C 2.070 179.615 177.584 -0.065 0.000 1.176 287 A CA 1.033 53.034 52.037 -0.060 0.000 0.628 287 A CB -0.341 18.621 19.000 -0.063 0.000 0.816 287 A HN 0.151 nan 8.150 nan 0.000 0.444 288 M N -0.706 118.845 119.600 -0.082 0.000 2.419 288 M HA 0.074 4.554 4.480 0.000 0.000 0.264 288 M C 1.823 178.051 176.300 -0.120 0.000 1.082 288 M CA 0.699 55.940 55.300 -0.098 0.000 1.119 288 M CB -0.313 32.216 32.600 -0.117 0.000 1.398 288 M HN 0.337 nan 8.290 nan 0.000 0.453 289 L N -0.108 121.049 121.223 -0.110 0.000 2.056 289 L HA -0.194 4.146 4.340 0.000 0.000 0.207 289 L C 2.609 179.439 176.870 -0.067 0.000 1.078 289 L CA 1.076 55.856 54.840 -0.101 0.000 0.749 289 L CB -0.441 41.571 42.059 -0.078 0.000 0.901 289 L HN 0.253 nan 8.230 nan 0.000 0.433 290 Q N 0.122 119.889 119.800 -0.054 0.000 2.291 290 Q HA -0.195 4.145 4.340 0.000 0.000 0.205 290 Q C 1.412 177.390 176.000 -0.035 0.000 0.970 290 Q CA 1.437 57.217 55.803 -0.038 0.000 0.876 290 Q CB -0.097 28.621 28.738 -0.033 0.000 0.935 290 Q HN 0.358 nan 8.270 nan 0.000 0.455 291 D N -1.126 119.247 120.400 -0.045 0.000 2.317 291 D HA 0.011 4.651 4.640 0.000 0.000 0.211 291 D C 1.130 177.415 176.300 -0.026 0.000 0.966 291 D CA 0.725 54.704 54.000 -0.035 0.000 0.876 291 D CB 0.244 41.020 40.800 -0.040 0.000 0.927 291 D HN 0.377 nan 8.370 nan 0.000 0.519 292 I N -0.218 120.329 120.570 -0.038 0.000 3.172 292 I HA 0.087 4.257 4.170 0.000 0.000 0.278 292 I C 2.257 178.369 176.117 -0.008 0.000 1.174 292 I CA 0.208 61.496 61.300 -0.020 0.000 1.445 292 I CB 0.028 37.999 38.000 -0.047 0.000 1.175 292 I HN -0.135 nan 8.210 nan 0.000 0.447 293 A N 1.071 123.880 122.820 -0.018 0.000 1.908 293 A HA -0.213 4.107 4.320 0.000 0.000 0.218 293 A C 2.347 179.931 177.584 -0.001 0.000 1.181 293 A CA 2.664 54.697 52.037 -0.006 0.000 0.627 293 A CB -1.201 17.792 19.000 -0.012 0.000 0.818 293 A HN 0.404 nan 8.150 nan 0.000 0.445 294 T N 0.043 114.593 114.554 -0.006 0.000 2.867 294 T HA -0.057 4.293 4.350 0.000 0.000 0.268 294 T C 1.686 176.387 174.700 0.001 0.000 1.057 294 T CA 1.136 63.234 62.100 -0.003 0.000 1.136 294 T CB -0.163 68.700 68.868 -0.007 0.000 0.874 294 T HN 0.275 nan 8.240 nan 0.000 0.466 295 L N 2.079 123.304 121.223 0.004 0.000 2.341 295 L HA 0.084 4.424 4.340 0.000 0.000 0.214 295 L C 2.088 178.964 176.870 0.010 0.000 1.115 295 L CA 1.705 56.550 54.840 0.009 0.000 0.820 295 L CB -1.042 41.027 42.059 0.016 0.000 0.944 295 L HN 0.444 nan 8.230 nan 0.000 0.452 296 T N -4.866 109.695 114.554 0.012 0.000 2.971 296 T HA 0.264 4.614 4.350 0.000 0.000 0.252 296 T C 1.231 175.939 174.700 0.012 0.000 1.022 296 T CA 0.457 62.565 62.100 0.012 0.000 0.980 296 T CB 0.309 69.190 68.868 0.022 0.000 1.044 296 T HN 0.388 nan 8.240 nan 0.000 0.501 297 G N 0.745 109.553 108.800 0.014 0.000 2.248 297 G HA2 0.153 4.113 3.960 0.000 0.000 0.263 297 G HA3 0.153 4.113 3.960 0.000 0.000 0.263 297 G C 0.225 175.142 174.900 0.029 0.000 1.082 297 G CA -0.254 44.856 45.100 0.017 0.000 0.863 297 G HN 1.023 nan 8.290 nan 0.000 0.495 298 G N -1.386 107.430 108.800 0.027 0.000 2.644 298 G HA2 0.823 4.783 3.960 0.000 0.000 0.307 298 G HA3 0.823 4.783 3.960 0.000 0.000 0.307 298 G C -0.406 174.506 174.900 0.018 0.000 1.250 298 G CA 0.082 45.202 45.100 0.034 0.000 0.996 298 G HN 0.692 nan 8.290 nan 0.000 0.489 299 T N 0.547 115.112 114.554 0.017 0.000 2.792 299 T HA 0.424 4.774 4.350 0.000 0.000 0.280 299 T C 0.181 174.882 174.700 0.002 0.000 0.990 299 T CA -0.338 61.766 62.100 0.006 0.000 0.960 299 T CB 1.588 70.459 68.868 0.006 0.000 0.939 299 T HN 0.392 nan 8.240 nan 0.000 0.439 300 V N 4.629 124.540 119.914 -0.005 0.000 2.529 300 V HA 0.177 4.297 4.120 0.000 0.000 0.292 300 V C 0.326 176.415 176.094 -0.008 0.000 1.028 300 V CA -0.058 62.236 62.300 -0.010 0.000 1.074 300 V CB -0.187 31.625 31.823 -0.018 0.000 0.958 300 V HN 0.782 nan 8.190 nan 0.000 0.481 301 I N 5.324 125.890 120.570 -0.007 0.000 2.412 301 I HA 0.287 4.457 4.170 0.000 0.000 0.279 301 I C 0.582 176.696 176.117 -0.007 0.000 1.063 301 I CA 0.118 61.414 61.300 -0.006 0.000 1.193 301 I CB 0.730 38.726 38.000 -0.006 0.000 1.370 301 I HN 0.758 nan 8.210 nan 0.000 0.479 302 S N 2.809 118.505 115.700 -0.007 0.000 2.758 302 S HA 0.463 4.933 4.470 0.000 0.000 0.292 302 S C 0.595 175.193 174.600 -0.004 0.000 1.131 302 S CA -0.750 57.446 58.200 -0.006 0.000 0.997 302 S CB 1.675 64.870 63.200 -0.008 0.000 1.111 302 S HN 0.552 nan 8.310 nan 0.000 0.552 303 E N -0.077 120.121 120.200 -0.002 0.000 2.431 303 E HA 0.053 4.403 4.350 0.000 0.000 0.200 303 E C 1.488 178.087 176.600 -0.001 0.000 0.995 303 E CA 0.097 56.496 56.400 -0.001 0.000 0.915 303 E CB 0.043 29.743 29.700 0.001 0.000 0.930 303 E HN 0.692 nan 8.360 nan 0.000 0.496 304 E N 1.083 121.281 120.200 -0.002 0.000 2.077 304 E HA -0.152 4.198 4.350 0.000 0.000 0.193 304 E C 1.998 178.596 176.600 -0.003 0.000 0.989 304 E CA 0.934 57.332 56.400 -0.003 0.000 0.800 304 E CB -0.039 29.658 29.700 -0.004 0.000 0.746 304 E HN 0.284 nan 8.360 nan 0.000 0.452 305 I N -0.350 120.217 120.570 -0.005 0.000 2.361 305 I HA -0.112 4.058 4.170 0.000 0.000 0.251 305 I C 1.680 177.795 176.117 -0.004 0.000 1.133 305 I CA 1.060 62.358 61.300 -0.005 0.000 1.413 305 I CB -0.240 37.756 38.000 -0.006 0.000 1.073 305 I HN 0.313 nan 8.210 nan 0.000 0.424 306 G N 0.689 109.487 108.800 -0.003 0.000 2.154 306 G HA2 -0.197 3.763 3.960 0.000 0.000 0.186 306 G HA3 -0.197 3.763 3.960 0.000 0.000 0.186 306 G C 0.204 175.102 174.900 -0.003 0.000 1.000 306 G CA -0.458 44.640 45.100 -0.003 0.000 0.664 306 G HN 0.170 nan 8.290 nan 0.000 0.513 307 M N 0.506 120.103 119.600 -0.004 0.000 2.274 307 M HA 0.534 5.014 4.480 0.000 0.000 0.344 307 M C 0.422 176.720 176.300 -0.004 0.000 1.161 307 M CA 0.110 55.407 55.300 -0.005 0.000 1.126 307 M CB 1.055 33.652 32.600 -0.005 0.000 1.522 307 M HN 0.234 nan 8.290 nan 0.000 0.461 308 E N 1.116 121.313 120.200 -0.005 0.000 2.281 308 E HA 0.322 4.672 4.350 0.000 0.000 0.262 308 E C 0.107 176.703 176.600 -0.007 0.000 0.933 308 E CA -0.612 55.785 56.400 -0.005 0.000 0.809 308 E CB 1.955 31.652 29.700 -0.005 0.000 1.242 308 E HN 0.628 nan 8.360 nan 0.000 0.418 309 L N 1.194 122.413 121.223 -0.006 0.000 2.478 309 L HA -0.091 4.249 4.340 0.000 0.000 0.223 309 L C 1.519 178.382 176.870 -0.013 0.000 1.140 309 L CA 0.870 55.704 54.840 -0.009 0.000 0.842 309 L CB -0.154 41.901 42.059 -0.005 0.000 0.953 309 L HN 0.539 nan 8.230 nan 0.000 0.452 310 E N 0.011 120.204 120.200 -0.011 0.000 2.051 310 E HA -0.090 4.260 4.350 0.000 0.000 0.189 310 E C 1.481 178.071 176.600 -0.016 0.000 0.979 310 E CA 0.626 57.019 56.400 -0.013 0.000 0.803 310 E CB 0.072 29.767 29.700 -0.010 0.000 0.761 310 E HN 0.065 nan 8.360 nan 0.000 0.451 311 K N 0.785 121.177 120.400 -0.013 0.000 2.699 311 K HA 0.132 4.452 4.320 0.000 0.000 0.205 311 K C -0.319 176.270 176.600 -0.017 0.000 1.008 311 K CA 0.136 56.415 56.287 -0.014 0.000 1.100 311 K CB -0.237 32.257 32.500 -0.010 0.000 0.878 311 K HN 0.048 nan 8.250 nan 0.000 0.496 312 A N 0.989 123.795 122.820 -0.023 0.000 2.317 312 A HA 0.478 4.798 4.320 0.000 0.000 0.327 312 A C 0.453 178.011 177.584 -0.043 0.000 1.178 312 A CA -0.542 51.478 52.037 -0.029 0.000 0.817 312 A CB 0.830 19.814 19.000 -0.028 0.000 1.189 312 A HN 0.233 nan 8.150 nan 0.000 0.489 313 T N -0.612 113.915 114.554 -0.045 0.000 2.804 313 T HA 0.543 4.893 4.350 0.000 0.000 0.272 313 T C 0.864 175.511 174.700 -0.087 0.000 0.986 313 T CA -0.578 61.485 62.100 -0.061 0.000 0.999 313 T CB 0.341 69.186 68.868 -0.039 0.000 1.307 313 T HN 0.269 nan 8.240 nan 0.000 0.586 314 L N -0.009 121.151 121.223 -0.105 0.000 2.418 314 L HA 0.206 4.546 4.340 0.000 0.000 0.218 314 L C 2.784 179.657 176.870 0.005 0.000 1.125 314 L CA 0.951 55.700 54.840 -0.151 0.000 0.835 314 L CB -0.266 41.693 42.059 -0.167 0.000 0.953 314 L HN 0.810 nan 8.230 nan 0.000 0.454 315 E N -0.093 120.117 120.200 0.017 0.000 2.299 315 E HA -0.157 4.193 4.350 0.000 0.000 0.193 315 E C 1.064 177.690 176.600 0.044 0.000 0.998 315 E CA 0.497 56.926 56.400 0.048 0.000 0.851 315 E CB 0.334 30.052 29.700 0.029 0.000 0.795 315 E HN 0.410 nan 8.360 nan 0.000 0.492 316 D N 0.213 120.627 120.400 0.022 0.000 2.312 316 D HA -0.044 4.596 4.640 0.000 0.000 0.211 316 D C -0.047 176.276 176.300 0.039 0.000 0.964 316 D CA 0.415 54.427 54.000 0.020 0.000 0.877 316 D CB 0.137 40.938 40.800 0.001 0.000 0.924 316 D HN 0.112 nan 8.370 nan 0.000 0.515 317 L N 0.919 122.183 121.223 0.068 0.000 2.290 317 L HA 0.345 4.685 4.340 0.000 0.000 0.284 317 L C 1.357 178.321 176.870 0.156 0.000 1.078 317 L CA -0.245 54.672 54.840 0.129 0.000 0.815 317 L CB 1.147 43.329 42.059 0.204 0.000 1.162 317 L HN -0.146 nan 8.230 nan 0.000 0.435 318 G N 2.465 111.329 108.800 0.106 0.000 2.683 318 G HA2 0.396 4.356 3.960 0.000 0.000 0.260 318 G HA3 0.396 4.356 3.960 0.000 0.000 0.260 318 G C -0.748 174.192 174.900 0.066 0.000 1.238 318 G CA -0.183 44.960 45.100 0.072 0.000 0.934 318 G HN 0.578 nan 8.290 nan 0.000 0.534 319 Q N -1.926 117.877 119.800 0.005 0.000 2.435 319 Q HA 0.581 4.921 4.340 0.000 0.000 0.282 319 Q C -0.949 175.016 176.000 -0.058 0.000 1.020 319 Q CA -0.672 55.088 55.803 -0.071 0.000 0.820 319 Q CB 2.179 30.825 28.738 -0.153 0.000 1.436 319 Q HN 0.973 nan 8.270 nan 0.000 0.395 320 A N 1.631 124.405 122.820 -0.077 0.000 2.532 320 A HA 0.518 4.838 4.320 0.000 0.000 0.290 320 A C -0.514 177.030 177.584 -0.066 0.000 1.143 320 A CA -0.550 51.457 52.037 -0.051 0.000 0.728 320 A CB 1.582 20.569 19.000 -0.022 0.000 1.317 320 A HN 0.776 nan 8.150 nan 0.000 0.414 321 K N -0.725 119.648 120.400 -0.046 0.000 2.116 321 K HA 0.082 4.402 4.320 0.000 0.000 0.203 321 K C 0.606 177.184 176.600 -0.038 0.000 1.052 321 K CA 1.035 57.295 56.287 -0.045 0.000 0.952 321 K CB 0.195 32.676 32.500 -0.032 0.000 0.729 321 K HN 0.551 nan 8.250 nan 0.000 0.446 322 R N -0.081 120.402 120.500 -0.028 0.000 2.629 322 R HA 0.204 4.544 4.340 0.000 0.000 0.266 322 R C -1.977 174.314 176.300 -0.015 0.000 1.051 322 R CA -0.551 55.537 56.100 -0.021 0.000 0.895 322 R CB 2.035 32.325 30.300 -0.017 0.000 1.246 322 R HN -0.075 nan 8.270 nan 0.000 0.459 323 V N 0.584 120.492 119.914 -0.011 0.000 2.623 323 V HA 0.670 4.790 4.120 0.000 0.000 0.304 323 V C -1.020 175.069 176.094 -0.008 0.000 1.054 323 V CA -0.775 61.519 62.300 -0.009 0.000 0.882 323 V CB 1.835 33.658 31.823 0.001 0.000 1.002 323 V HN 0.401 nan 8.190 nan 0.000 0.424 324 V N 6.285 126.186 119.914 -0.021 0.000 2.370 324 V HA 0.548 4.668 4.120 0.000 0.000 0.283 324 V C -0.092 175.987 176.094 -0.026 0.000 1.023 324 V CA -0.266 62.027 62.300 -0.011 0.000 0.857 324 V CB 1.404 33.219 31.823 -0.013 0.000 0.985 324 V HN 0.842 nan 8.190 nan 0.000 0.443 325 I N 5.176 125.762 120.570 0.026 0.000 2.428 325 I HA 0.383 4.553 4.170 0.000 0.000 0.279 325 I C 0.322 176.524 176.117 0.142 0.000 1.040 325 I CA -0.359 60.969 61.300 0.048 0.000 1.171 325 I CB 0.942 39.008 38.000 0.111 0.000 1.312 325 I HN 0.546 nan 8.210 nan 0.000 0.470 326 N N 4.504 123.220 118.700 0.027 0.000 2.292 326 N HA 0.107 4.847 4.740 0.000 0.000 0.278 326 N C 1.246 176.651 175.510 -0.174 0.000 1.289 326 N CA -0.140 52.934 53.050 0.040 0.000 0.934 326 N CB 0.554 39.032 38.487 -0.014 0.000 1.069 326 N HN 0.459 nan 8.380 nan 0.000 0.513 327 K N -0.013 120.266 120.400 -0.200 0.000 2.097 327 K HA -0.138 4.182 4.320 0.000 0.000 0.205 327 K C -0.330 175.934 176.600 -0.561 0.000 1.050 327 K CA 1.771 57.743 56.287 -0.525 0.000 0.938 327 K CB 0.037 32.469 32.500 -0.114 0.000 0.718 327 K HN 0.574 nan 8.250 nan 0.000 0.442 328 D N -1.596 118.629 120.400 -0.291 0.000 2.594 328 D HA 0.096 4.736 4.640 0.000 0.000 0.256 328 D C -0.847 175.366 176.300 -0.145 0.000 1.393 328 D CA -0.369 53.516 54.000 -0.191 0.000 0.797 328 D CB 1.055 41.794 40.800 -0.103 0.000 1.110 328 D HN -0.174 nan 8.370 nan 0.000 0.495 329 T N -0.119 114.326 114.554 -0.182 0.000 2.971 329 T HA 0.601 4.951 4.350 0.000 0.000 0.304 329 T C -0.920 173.607 174.700 -0.287 0.000 1.038 329 T CA -0.486 61.490 62.100 -0.207 0.000 1.007 329 T CB 2.201 70.984 68.868 -0.141 0.000 1.055 329 T HN -0.139 nan 8.240 nan 0.000 0.451 330 T N 2.137 116.363 114.554 -0.546 0.000 2.841 330 T HA 0.699 5.049 4.350 0.000 0.000 0.283 330 T C -0.435 173.863 174.700 -0.671 0.000 1.000 330 T CA -0.593 61.137 62.100 -0.615 0.000 0.977 330 T CB 1.766 70.172 68.868 -0.771 0.000 0.979 330 T HN 0.608 nan 8.240 nan 0.000 0.446 331 T N 2.820 117.179 114.554 -0.325 0.000 2.886 331 T HA 0.693 5.043 4.350 0.000 0.000 0.292 331 T C -1.005 173.644 174.700 -0.085 0.000 1.012 331 T CA -0.680 61.304 62.100 -0.193 0.000 0.982 331 T CB 0.323 69.115 68.868 -0.126 0.000 1.018 331 T HN 0.459 nan 8.240 nan 0.000 0.451 332 I N 5.575 126.134 120.570 -0.018 0.000 2.339 332 I HA 0.481 4.651 4.170 0.000 0.000 0.290 332 I C -0.350 175.772 176.117 0.008 0.000 0.994 332 I CA -0.770 60.542 61.300 0.020 0.000 1.191 332 I CB 1.577 39.622 38.000 0.075 0.000 1.343 332 I HN 0.536 nan 8.210 nan 0.000 0.458 333 I N 5.480 126.048 120.570 -0.003 0.000 2.339 333 I HA 0.250 4.420 4.170 0.000 0.000 0.290 333 I C -0.363 175.749 176.117 -0.009 0.000 0.994 333 I CA -0.362 60.934 61.300 -0.008 0.000 1.191 333 I CB 1.115 39.106 38.000 -0.014 0.000 1.343 333 I HN 0.619 nan 8.210 nan 0.000 0.458 334 D N 5.053 125.449 120.400 -0.007 0.000 3.133 334 D HA -0.123 4.517 4.640 0.000 0.000 0.239 334 D C 0.283 176.576 176.300 -0.012 0.000 1.136 334 D CA 0.924 54.918 54.000 -0.010 0.000 0.898 334 D CB -0.296 40.495 40.800 -0.014 0.000 0.959 334 D HN 0.805 nan 8.370 nan 0.000 0.415 335 G N 0.427 109.224 108.800 -0.005 0.000 2.527 335 G HA2 0.346 4.306 3.960 0.000 0.000 0.248 335 G HA3 0.346 4.306 3.960 0.000 0.000 0.248 335 G C 1.418 176.312 174.900 -0.010 0.000 1.231 335 G CA -0.231 44.866 45.100 -0.005 0.000 0.838 335 G HN 0.358 nan 8.290 nan 0.000 0.570 336 V N 2.213 122.118 119.914 -0.014 0.000 2.871 336 V HA 0.039 4.159 4.120 0.000 0.000 0.256 336 V C 2.227 178.317 176.094 -0.007 0.000 1.082 336 V CA 1.069 63.360 62.300 -0.015 0.000 1.105 336 V CB -1.080 30.729 31.823 -0.024 0.000 0.713 336 V HN 0.853 nan 8.190 nan 0.000 0.473 337 G N 0.730 109.529 108.800 -0.002 0.000 2.568 337 G HA2 0.073 4.033 3.960 0.000 0.000 0.231 337 G HA3 0.073 4.033 3.960 0.000 0.000 0.231 337 G C -0.051 174.848 174.900 -0.001 0.000 1.261 337 G CA -0.265 44.836 45.100 0.001 0.000 0.855 337 G HN 0.299 nan 8.290 nan 0.000 0.576 338 E N 0.587 120.787 120.200 -0.000 0.000 2.366 338 E HA 0.070 4.420 4.350 0.000 0.000 0.266 338 E C 1.142 177.741 176.600 -0.002 0.000 1.051 338 E CA -0.137 56.263 56.400 -0.001 0.000 0.884 338 E CB 1.311 31.011 29.700 -0.000 0.000 1.006 338 E HN 0.675 nan 8.360 nan 0.000 0.417 339 E N 1.040 121.238 120.200 -0.002 0.000 2.427 339 E HA -0.078 4.272 4.350 0.000 0.000 0.196 339 E C 1.478 178.076 176.600 -0.003 0.000 1.028 339 E CA 0.622 57.020 56.400 -0.003 0.000 0.864 339 E CB 0.155 29.854 29.700 -0.003 0.000 0.813 339 E HN 0.513 nan 8.360 nan 0.000 0.514 340 A N 1.518 124.337 122.820 -0.003 0.000 1.897 340 A HA -0.005 4.315 4.320 0.000 0.000 0.215 340 A C 2.367 179.949 177.584 -0.003 0.000 1.181 340 A CA 1.413 53.449 52.037 -0.003 0.000 0.620 340 A CB -0.408 18.590 19.000 -0.002 0.000 0.821 340 A HN 0.285 nan 8.150 nan 0.000 0.443 341 A N 0.021 122.840 122.820 -0.003 0.000 1.872 341 A HA 0.022 4.342 4.320 0.000 0.000 0.214 341 A C 2.120 179.702 177.584 -0.004 0.000 1.187 341 A CA 1.342 53.377 52.037 -0.003 0.000 0.614 341 A CB -0.559 18.440 19.000 -0.002 0.000 0.826 341 A HN 0.466 nan 8.150 nan 0.000 0.442 342 I N -0.966 119.602 120.570 -0.003 0.000 2.113 342 I HA -0.256 3.914 4.170 0.000 0.000 0.238 342 I C 2.776 178.890 176.117 -0.005 0.000 1.070 342 I CA 1.784 63.082 61.300 -0.004 0.000 1.332 342 I CB -0.433 37.565 38.000 -0.002 0.000 1.044 342 I HN 0.313 nan 8.210 nan 0.000 0.402 343 Q N 1.332 121.130 119.800 -0.004 0.000 2.167 343 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 343 Q C 2.072 178.069 176.000 -0.006 0.000 0.970 343 Q CA 1.858 57.657 55.803 -0.005 0.000 0.855 343 Q CB -0.803 27.932 28.738 -0.005 0.000 0.911 343 Q HN 0.508 nan 8.270 nan 0.000 0.438 344 G N 0.009 108.805 108.800 -0.006 0.000 2.446 344 G HA2 -0.342 3.618 3.960 0.000 0.000 0.217 344 G HA3 -0.342 3.618 3.960 0.000 0.000 0.217 344 G C 1.593 176.488 174.900 -0.008 0.000 1.168 344 G CA 1.040 46.136 45.100 -0.006 0.000 0.771 344 G HN 0.352 nan 8.290 nan 0.000 0.551 345 R N -0.034 120.460 120.500 -0.009 0.000 2.148 345 R HA 0.089 4.429 4.340 0.000 0.000 0.223 345 R C 2.525 178.818 176.300 -0.013 0.000 1.088 345 R CA 0.945 57.038 56.100 -0.011 0.000 0.985 345 R CB -0.585 29.708 30.300 -0.012 0.000 0.880 345 R HN 0.225 nan 8.270 nan 0.000 0.451 346 V N 0.511 120.419 119.914 -0.010 0.000 2.407 346 V HA -0.180 3.940 4.120 0.000 0.000 0.248 346 V C 2.217 178.304 176.094 -0.011 0.000 1.055 346 V CA 1.911 64.204 62.300 -0.011 0.000 1.049 346 V CB -0.687 31.131 31.823 -0.008 0.000 0.662 346 V HN 0.520 nan 8.190 nan 0.000 0.455 347 A N -0.911 121.903 122.820 -0.010 0.000 2.016 347 A HA -0.172 4.148 4.320 0.000 0.000 0.217 347 A C 2.141 179.718 177.584 -0.011 0.000 1.162 347 A CA 1.240 53.272 52.037 -0.009 0.000 0.662 347 A CB -0.266 18.729 19.000 -0.008 0.000 0.812 347 A HN 0.629 nan 8.150 nan 0.000 0.450 348 Q N -0.615 119.177 119.800 -0.012 0.000 2.212 348 Q HA 0.100 4.440 4.340 0.000 0.000 0.199 348 Q C 1.710 177.700 176.000 -0.016 0.000 0.950 348 Q CA 1.154 56.950 55.803 -0.013 0.000 0.863 348 Q CB -0.128 28.602 28.738 -0.014 0.000 0.944 348 Q HN 0.736 nan 8.270 nan 0.000 0.465 349 I N -0.081 120.478 120.570 -0.018 0.000 2.584 349 I HA -0.115 4.055 4.170 0.000 0.000 0.255 349 I C 2.422 178.526 176.117 -0.021 0.000 1.145 349 I CA 0.531 61.817 61.300 -0.022 0.000 1.462 349 I CB -0.071 37.914 38.000 -0.025 0.000 1.102 349 I HN 0.038 nan 8.210 nan 0.000 0.433 350 R N 0.990 121.480 120.500 -0.017 0.000 2.115 350 R HA -0.186 4.154 4.340 0.000 0.000 0.230 350 R C 2.305 178.597 176.300 -0.013 0.000 1.111 350 R CA 1.305 57.396 56.100 -0.015 0.000 0.976 350 R CB -0.084 30.209 30.300 -0.012 0.000 0.870 350 R HN 0.384 nan 8.270 nan 0.000 0.445 351 Q N -0.201 119.591 119.800 -0.013 0.000 2.331 351 Q HA -0.103 4.237 4.340 0.000 0.000 0.203 351 Q C 1.410 177.403 176.000 -0.012 0.000 0.944 351 Q CA 0.892 56.688 55.803 -0.011 0.000 0.892 351 Q CB 0.349 29.081 28.738 -0.010 0.000 0.983 351 Q HN 0.474 nan 8.270 nan 0.000 0.482 352 Q N -0.159 119.632 119.800 -0.015 0.000 2.432 352 Q HA 0.024 4.364 4.340 0.000 0.000 0.205 352 Q C 1.739 177.728 176.000 -0.018 0.000 0.945 352 Q CA 0.256 56.049 55.803 -0.017 0.000 0.924 352 Q CB 0.317 29.042 28.738 -0.022 0.000 1.016 352 Q HN 0.437 nan 8.270 nan 0.000 0.503 353 I N 0.927 121.486 120.570 -0.018 0.000 2.286 353 I HA -0.221 3.949 4.170 0.000 0.000 0.245 353 I C 1.744 177.854 176.117 -0.011 0.000 1.104 353 I CA 0.890 62.179 61.300 -0.017 0.000 1.397 353 I CB -0.044 37.945 38.000 -0.017 0.000 1.072 353 I HN 0.112 nan 8.210 nan 0.000 0.417 354 E N 1.015 121.209 120.200 -0.009 0.000 2.409 354 E HA -0.177 4.173 4.350 0.000 0.000 0.198 354 E C 1.049 177.646 176.600 -0.005 0.000 1.024 354 E CA 0.865 57.261 56.400 -0.006 0.000 0.861 354 E CB -0.251 29.445 29.700 -0.006 0.000 0.788 354 E HN 0.637 nan 8.360 nan 0.000 0.521 355 E N 0.185 120.381 120.200 -0.007 0.000 2.538 355 E HA 0.250 4.600 4.350 0.000 0.000 0.207 355 E C -0.022 176.576 176.600 -0.004 0.000 1.002 355 E CA -0.178 56.218 56.400 -0.005 0.000 0.952 355 E CB 0.905 30.601 29.700 -0.007 0.000 1.031 355 E HN 0.042 nan 8.360 nan 0.000 0.476 356 A N 1.773 124.591 122.820 -0.005 0.000 2.457 356 A HA 0.122 4.442 4.320 0.000 0.000 0.298 356 A C 0.839 178.427 177.584 0.007 0.000 1.288 356 A CA -0.262 51.774 52.037 -0.002 0.000 0.956 356 A CB -0.435 18.561 19.000 -0.008 0.000 1.135 356 A HN 0.146 nan 8.150 nan 0.000 0.535 357 T N -0.073 114.489 114.554 0.012 0.000 3.332 357 T HA 0.436 4.786 4.350 0.000 0.000 0.246 357 T C 0.244 174.961 174.700 0.028 0.000 0.943 357 T CA 0.231 62.340 62.100 0.016 0.000 0.922 357 T CB -0.634 68.242 68.868 0.013 0.000 1.086 357 T HN 0.627 nan 8.240 nan 0.000 0.590 358 S N -0.685 115.037 115.700 0.036 0.000 2.595 358 S HA 0.287 4.757 4.470 0.000 0.000 0.270 358 S C -0.506 174.132 174.600 0.062 0.000 1.145 358 S CA -0.612 57.623 58.200 0.059 0.000 0.825 358 S CB 1.477 64.733 63.200 0.094 0.000 1.107 358 S HN 0.118 nan 8.310 nan 0.000 0.461 359 D N 0.615 121.061 120.400 0.077 0.000 2.234 359 D HA 0.010 4.650 4.640 0.000 0.000 0.205 359 D C 1.230 177.591 176.300 0.101 0.000 0.962 359 D CA 1.004 55.047 54.000 0.071 0.000 0.855 359 D CB -0.037 40.802 40.800 0.065 0.000 0.951 359 D HN 0.586 nan 8.370 nan 0.000 0.500 360 Y N 1.893 122.194 120.300 0.002 0.000 2.176 360 Y HA -0.142 4.408 4.550 0.000 0.000 0.291 360 Y C 1.715 177.612 175.900 -0.005 0.000 1.122 360 Y CA 1.512 59.614 58.100 0.003 0.000 1.128 360 Y CB -0.175 38.289 38.460 0.006 0.000 1.005 360 Y HN -0.224 nan 8.280 nan 0.000 0.509 361 D N 0.096 120.522 120.400 0.043 0.000 2.116 361 D HA -0.228 4.412 4.640 0.000 0.000 0.193 361 D C 2.279 178.514 176.300 -0.109 0.000 0.998 361 D CA 1.810 55.770 54.000 -0.066 0.000 0.836 361 D CB -0.356 40.460 40.800 0.028 0.000 0.951 361 D HN 0.289 nan 8.370 nan 0.000 0.449 362 R N 0.537 121.006 120.500 -0.051 0.000 2.096 362 R HA -0.174 4.166 4.340 0.000 0.000 0.240 362 R C 1.967 178.224 176.300 -0.072 0.000 1.139 362 R CA 1.625 57.697 56.100 -0.046 0.000 0.952 362 R CB -0.023 30.267 30.300 -0.016 0.000 0.854 362 R HN 0.234 nan 8.270 nan 0.000 0.436 363 E N -0.249 119.895 120.200 -0.093 0.000 2.150 363 E HA -0.147 4.203 4.350 0.000 0.000 0.193 363 E C 1.912 178.428 176.600 -0.140 0.000 0.985 363 E CA 0.845 57.187 56.400 -0.097 0.000 0.814 363 E CB 0.160 29.812 29.700 -0.081 0.000 0.752 363 E HN 0.148 nan 8.360 nan 0.000 0.466 364 K N 0.615 120.875 120.400 -0.232 0.000 2.025 364 K HA -0.096 4.224 4.320 0.000 0.000 0.207 364 K C 2.175 178.693 176.600 -0.138 0.000 1.049 364 K CA 0.964 57.109 56.287 -0.236 0.000 0.933 364 K CB -0.388 31.893 32.500 -0.365 0.000 0.714 364 K HN 0.195 nan 8.250 nan 0.000 0.438 365 L N 0.910 122.065 121.223 -0.114 0.000 2.056 365 L HA -0.152 4.188 4.340 0.000 0.000 0.207 365 L C 2.492 179.328 176.870 -0.056 0.000 1.078 365 L CA 1.177 55.972 54.840 -0.074 0.000 0.749 365 L CB -0.400 41.623 42.059 -0.060 0.000 0.901 365 L HN 0.178 nan 8.230 nan 0.000 0.433 366 Q N -0.215 119.552 119.800 -0.054 0.000 2.291 366 Q HA -0.180 4.160 4.340 0.000 0.000 0.205 366 Q C 2.004 177.984 176.000 -0.034 0.000 0.970 366 Q CA 1.046 56.827 55.803 -0.038 0.000 0.876 366 Q CB 0.061 28.779 28.738 -0.034 0.000 0.935 366 Q HN 0.554 nan 8.270 nan 0.000 0.455 367 E N 0.204 120.378 120.200 -0.043 0.000 2.072 367 E HA -0.111 4.239 4.350 0.000 0.000 0.190 367 E C 1.989 178.576 176.600 -0.021 0.000 0.982 367 E CA 0.460 56.842 56.400 -0.031 0.000 0.803 367 E CB 0.064 29.741 29.700 -0.038 0.000 0.755 367 E HN 0.244 nan 8.360 nan 0.000 0.453 368 R N 0.740 121.221 120.500 -0.031 0.000 2.070 368 R HA -0.136 4.204 4.340 0.000 0.000 0.233 368 R C 2.734 179.025 176.300 -0.015 0.000 1.137 368 R CA 1.800 57.886 56.100 -0.024 0.000 0.945 368 R CB -0.832 29.446 30.300 -0.037 0.000 0.845 368 R HN 0.199 nan 8.270 nan 0.000 0.430 369 V N -1.095 118.808 119.914 -0.019 0.000 2.392 369 V HA -0.155 3.965 4.120 0.000 0.000 0.249 369 V C 2.397 178.485 176.094 -0.009 0.000 1.059 369 V CA 1.803 64.094 62.300 -0.014 0.000 1.051 369 V CB -1.178 30.635 31.823 -0.016 0.000 0.658 369 V HN 0.281 nan 8.190 nan 0.000 0.455 370 A N 0.787 123.601 122.820 -0.009 0.000 1.940 370 A HA -0.190 4.130 4.320 0.000 0.000 0.219 370 A C 2.340 179.924 177.584 -0.000 0.000 1.176 370 A CA 2.231 54.264 52.037 -0.006 0.000 0.631 370 A CB -0.501 18.495 19.000 -0.007 0.000 0.814 370 A HN 0.662 nan 8.150 nan 0.000 0.446 371 K N -1.046 119.357 120.400 0.005 0.000 2.044 371 K HA 0.023 4.343 4.320 0.000 0.000 0.204 371 K C 1.783 178.392 176.600 0.015 0.000 1.049 371 K CA 1.069 57.365 56.287 0.016 0.000 0.945 371 K CB -0.318 32.201 32.500 0.032 0.000 0.724 371 K HN 0.292 nan 8.250 nan 0.000 0.440 372 L N 0.980 122.208 121.223 0.009 0.000 1.993 372 L HA -0.092 4.248 4.340 0.000 0.000 0.206 372 L C 2.435 179.307 176.870 0.003 0.000 1.074 372 L CA 1.895 56.739 54.840 0.007 0.000 0.746 372 L CB -0.862 41.198 42.059 0.001 0.000 0.896 372 L HN 0.139 nan 8.230 nan 0.000 0.435 373 A N -0.726 122.094 122.820 -0.001 0.000 2.015 373 A HA -0.021 4.299 4.320 0.000 0.000 0.219 373 A C 2.337 179.920 177.584 -0.002 0.000 1.163 373 A CA 1.398 53.434 52.037 -0.003 0.000 0.646 373 A CB -1.306 17.692 19.000 -0.005 0.000 0.806 373 A HN 0.465 nan 8.150 nan 0.000 0.448 374 G N -0.795 108.004 108.800 -0.002 0.000 2.402 374 G HA2 0.302 4.262 3.960 0.000 0.000 0.216 374 G HA3 0.302 4.262 3.960 0.000 0.000 0.216 374 G C 1.286 176.184 174.900 -0.003 0.000 1.162 374 G CA 0.887 45.986 45.100 -0.003 0.000 0.777 374 G HN 1.653 nan 8.290 nan 0.000 0.539 375 G N -1.578 107.222 108.800 0.000 0.000 2.601 375 G HA2 -0.064 3.896 3.960 0.000 0.000 0.252 375 G HA3 -0.064 3.896 3.960 0.000 0.000 0.252 375 G C -0.516 174.382 174.900 -0.003 0.000 1.294 375 G CA -0.052 45.049 45.100 0.001 0.000 0.912 375 G HN 1.109 nan 8.290 nan 0.000 0.574 376 V N 0.580 120.491 119.914 -0.005 0.000 2.569 376 V HA 0.695 4.815 4.120 0.000 0.000 0.301 376 V C 0.698 176.785 176.094 -0.012 0.000 1.044 376 V CA -0.018 62.275 62.300 -0.011 0.000 0.874 376 V CB 1.218 33.034 31.823 -0.011 0.000 1.002 376 V HN 2.024 nan 8.190 nan 0.000 0.424 377 A N 4.913 127.723 122.820 -0.015 0.000 2.366 377 A HA 0.745 5.065 4.320 0.000 0.000 0.272 377 A C -0.433 177.141 177.584 -0.016 0.000 1.135 377 A CA -0.248 51.780 52.037 -0.015 0.000 0.804 377 A CB 0.716 19.706 19.000 -0.016 0.000 1.064 377 A HN 0.756 nan 8.150 nan 0.000 0.499 378 V N 4.248 124.154 119.914 -0.013 0.000 2.448 378 V HA 0.357 4.477 4.120 0.000 0.000 0.295 378 V C -0.254 175.834 176.094 -0.011 0.000 1.025 378 V CA -0.210 62.083 62.300 -0.012 0.000 0.859 378 V CB 1.402 33.218 31.823 -0.011 0.000 0.988 378 V HN 0.727 nan 8.190 nan 0.000 0.431 379 I N 4.650 125.214 120.570 -0.010 0.000 2.339 379 I HA 0.447 4.617 4.170 0.000 0.000 0.290 379 I C 0.010 176.123 176.117 -0.006 0.000 0.994 379 I CA -0.515 60.780 61.300 -0.008 0.000 1.191 379 I CB 1.246 39.242 38.000 -0.007 0.000 1.343 379 I HN 0.484 nan 8.210 nan 0.000 0.458 380 K N 5.683 126.080 120.400 -0.006 0.000 2.265 380 K HA 0.527 4.847 4.320 0.000 0.000 0.267 380 K C -0.949 175.649 176.600 -0.004 0.000 0.994 380 K CA -0.638 55.646 56.287 -0.005 0.000 0.860 380 K CB 2.324 34.821 32.500 -0.006 0.000 1.099 380 K HN 0.318 nan 8.250 nan 0.000 0.448 381 V N 2.497 122.409 119.914 -0.003 0.000 2.383 381 V HA 0.370 4.490 4.120 0.000 0.000 0.275 381 V C 0.516 176.609 176.094 -0.003 0.000 1.036 381 V CA -0.722 61.577 62.300 -0.002 0.000 0.889 381 V CB 1.313 33.135 31.823 -0.001 0.000 0.985 381 V HN 0.904 nan 8.190 nan 0.000 0.459 382 G N 2.747 111.545 108.800 -0.003 0.000 2.372 382 G HA2 0.627 4.587 3.960 0.000 0.000 0.323 382 G HA3 0.627 4.587 3.960 0.000 0.000 0.323 382 G C 0.208 175.106 174.900 -0.003 0.000 1.152 382 G CA 0.240 45.339 45.100 -0.003 0.000 0.906 382 G HN 1.006 nan 8.290 nan 0.000 0.460 383 A N 1.016 123.834 122.820 -0.002 0.000 2.533 383 A HA 0.818 5.138 4.320 0.000 0.000 0.180 383 A C 0.809 178.392 177.584 -0.002 0.000 1.566 383 A CA 1.110 53.145 52.037 -0.002 0.000 1.153 383 A CB -0.234 18.765 19.000 -0.002 0.000 1.462 383 A HN 2.738 nan 8.150 nan 0.000 0.523 384 A N -0.479 122.340 122.820 -0.003 0.000 2.435 384 A HA 0.495 4.815 4.320 0.000 0.000 0.686 384 A C 0.810 178.393 177.584 -0.003 0.000 0.138 384 A CA 0.358 52.393 52.037 -0.003 0.000 0.024 384 A CB -2.562 16.437 19.000 -0.002 0.000 3.974 384 A HN 3.005 nan 8.150 nan 0.000 0.548 385 T N -0.481 114.072 114.554 -0.003 0.000 0.542 385 T HA -0.170 4.180 4.350 0.000 0.000 0.774 385 T C 0.479 175.178 174.700 -0.003 0.000 0.992 385 T CA 1.813 63.911 62.100 -0.003 0.000 4.076 385 T CB -0.565 68.301 68.868 -0.003 0.000 2.303 385 T HN 2.151 nan 8.240 nan 0.000 0.398 386 E N 1.130 121.328 120.200 -0.003 0.000 2.401 386 E HA -0.053 4.297 4.350 0.000 0.000 0.199 386 E C 1.890 178.488 176.600 -0.003 0.000 1.023 386 E CA 1.293 57.692 56.400 -0.003 0.000 0.859 386 E CB -0.052 29.646 29.700 -0.003 0.000 0.780 386 E HN 0.658 nan 8.360 nan 0.000 0.523 387 V N 0.969 120.881 119.914 -0.003 0.000 2.323 387 V HA -0.201 3.919 4.120 0.000 0.000 0.244 387 V C 1.899 177.992 176.094 -0.002 0.000 1.041 387 V CA 1.948 64.247 62.300 -0.003 0.000 1.025 387 V CB -0.370 31.451 31.823 -0.003 0.000 0.656 387 V HN 0.252 nan 8.190 nan 0.000 0.451 388 E N -0.462 119.737 120.200 -0.002 0.000 2.208 388 E HA -0.137 4.213 4.350 0.000 0.000 0.193 388 E C 2.133 178.732 176.600 -0.002 0.000 0.988 388 E CA 0.786 57.185 56.400 -0.002 0.000 0.828 388 E CB -0.159 29.540 29.700 -0.002 0.000 0.763 388 E HN 0.412 nan 8.360 nan 0.000 0.478 389 M N 1.487 121.086 119.600 -0.002 0.000 2.200 389 M HA -0.200 4.280 4.480 0.000 0.000 0.261 389 M C 1.908 178.207 176.300 -0.001 0.000 1.074 389 M CA 1.687 56.986 55.300 -0.002 0.000 1.098 389 M CB -0.279 32.319 32.600 -0.002 0.000 1.268 389 M HN -0.114 nan 8.290 nan 0.000 0.432 390 K N 0.241 120.641 120.400 -0.001 0.000 2.160 390 K HA -0.211 4.109 4.320 0.000 0.000 0.206 390 K C 1.894 178.494 176.600 -0.000 0.000 1.047 390 K CA 1.297 57.583 56.287 -0.001 0.000 0.930 390 K CB -0.625 31.875 32.500 -0.001 0.000 0.720 390 K HN 0.512 nan 8.250 nan 0.000 0.450 391 E N 1.465 121.664 120.200 -0.001 0.000 2.028 391 E HA -0.184 4.166 4.350 0.000 0.000 0.191 391 E C 1.935 178.535 176.600 -0.000 0.000 0.988 391 E CA 1.269 57.668 56.400 -0.001 0.000 0.799 391 E CB 0.039 29.738 29.700 -0.002 0.000 0.755 391 E HN 0.175 nan 8.360 nan 0.000 0.447 392 K N 0.784 121.184 120.400 -0.000 0.000 2.209 392 K HA -0.158 4.162 4.320 0.000 0.000 0.204 392 K C 2.318 178.919 176.600 0.002 0.000 1.048 392 K CA 1.262 57.549 56.287 0.000 0.000 0.940 392 K CB -0.038 32.462 32.500 -0.001 0.000 0.729 392 K HN -0.048 nan 8.250 nan 0.000 0.451 393 K N 0.111 120.512 120.400 0.002 0.000 2.057 393 K HA -0.127 4.193 4.320 0.000 0.000 0.207 393 K C 1.887 178.491 176.600 0.008 0.000 1.049 393 K CA 1.305 57.595 56.287 0.004 0.000 0.931 393 K CB -0.136 32.365 32.500 0.003 0.000 0.714 393 K HN 0.170 nan 8.250 nan 0.000 0.440 394 A N 1.296 124.120 122.820 0.006 0.000 1.969 394 A HA -0.096 4.224 4.320 0.000 0.000 0.218 394 A C 2.022 179.612 177.584 0.010 0.000 1.169 394 A CA 1.075 53.117 52.037 0.008 0.000 0.635 394 A CB -0.347 18.655 19.000 0.003 0.000 0.810 394 A HN 0.307 nan 8.150 nan 0.000 0.445 395 R N -0.594 119.910 120.500 0.007 0.000 2.115 395 R HA -0.042 4.298 4.340 0.000 0.000 0.226 395 R C 1.979 178.287 176.300 0.013 0.000 1.100 395 R CA 1.261 57.366 56.100 0.008 0.000 0.980 395 R CB -0.412 29.890 30.300 0.004 0.000 0.875 395 R HN 0.427 nan 8.270 nan 0.000 0.445 396 V N 1.273 121.194 119.914 0.013 0.000 2.244 396 V HA -0.230 3.890 4.120 0.000 0.000 0.244 396 V C 1.962 178.073 176.094 0.028 0.000 1.042 396 V CA 1.810 64.119 62.300 0.015 0.000 1.006 396 V CB -0.531 31.297 31.823 0.009 0.000 0.641 396 V HN 0.320 nan 8.190 nan 0.000 0.446 397 E N 0.093 120.314 120.200 0.034 0.000 2.147 397 E HA -0.270 4.080 4.350 0.000 0.000 0.199 397 E C 1.916 178.578 176.600 0.103 0.000 1.005 397 E CA 1.682 58.119 56.400 0.063 0.000 0.810 397 E CB -0.183 29.551 29.700 0.056 0.000 0.736 397 E HN 0.657 nan 8.360 nan 0.000 0.460 398 D N -0.065 120.375 120.400 0.067 0.000 2.144 398 D HA -0.038 4.602 4.640 0.000 0.000 0.207 398 D C 1.998 178.345 176.300 0.078 0.000 0.970 398 D CA 1.074 55.114 54.000 0.068 0.000 0.853 398 D CB -0.206 40.608 40.800 0.023 0.000 1.007 398 D HN 0.131 nan 8.370 nan 0.000 0.469 399 A N 1.272 124.120 122.820 0.047 0.000 1.908 399 A HA -0.170 4.150 4.320 0.000 0.000 0.218 399 A C 2.216 179.822 177.584 0.037 0.000 1.181 399 A CA 1.096 53.154 52.037 0.035 0.000 0.627 399 A CB -0.803 18.209 19.000 0.019 0.000 0.818 399 A HN 0.200 nan 8.150 nan 0.000 0.445 400 L N -1.029 120.215 121.223 0.035 0.000 1.970 400 L HA -0.211 4.129 4.340 0.000 0.000 0.212 400 L C 2.463 179.338 176.870 0.007 0.000 1.071 400 L CA 2.524 57.369 54.840 0.008 0.000 0.751 400 L CB -0.770 41.285 42.059 -0.006 0.000 0.889 400 L HN 0.558 nan 8.230 nan 0.000 0.432 401 H N -0.537 118.530 119.070 -0.005 0.000 2.353 401 H HA -0.153 4.403 4.556 0.000 0.000 0.298 401 H C 1.998 177.325 175.328 -0.002 0.000 1.103 401 H CA 1.722 57.767 56.048 -0.005 0.000 1.293 401 H CB 0.007 29.765 29.762 -0.006 0.000 1.372 401 H HN 0.528 nan 8.280 nan 0.000 0.501 402 A N -0.372 122.531 122.820 0.140 0.000 1.872 402 A HA -0.101 4.220 4.320 0.000 0.000 0.214 402 A C 2.586 180.200 177.584 0.049 0.000 1.187 402 A CA 1.803 53.891 52.037 0.084 0.000 0.614 402 A CB -0.714 18.319 19.000 0.054 0.000 0.826 402 A HN 0.458 nan 8.150 nan 0.000 0.442 403 T N -0.519 114.054 114.554 0.031 0.000 2.995 403 T HA -0.065 4.285 4.350 0.000 0.000 0.269 403 T C 2.010 176.712 174.700 0.003 0.000 1.091 403 T CA 0.833 62.941 62.100 0.013 0.000 1.128 403 T CB -0.202 68.669 68.868 0.005 0.000 0.891 403 T HN 0.240 nan 8.240 nan 0.000 0.492 404 R N 1.705 122.201 120.500 -0.007 0.000 2.103 404 R HA 0.045 4.385 4.340 0.000 0.000 0.242 404 R C 2.231 178.530 176.300 -0.001 0.000 1.142 404 R CA 1.680 57.763 56.100 -0.028 0.000 0.960 404 R CB -0.806 29.443 30.300 -0.084 0.000 0.858 404 R HN 0.473 nan 8.270 nan 0.000 0.439 405 A N -1.074 121.761 122.820 0.024 0.000 2.267 405 A HA 0.332 4.652 4.320 0.000 0.000 0.213 405 A C 1.885 179.484 177.584 0.025 0.000 1.192 405 A CA 0.705 52.761 52.037 0.032 0.000 0.851 405 A CB 0.085 19.118 19.000 0.054 0.000 0.881 405 A HN 0.298 nan 8.150 nan 0.000 0.494 406 A N -0.413 122.420 122.820 0.020 0.000 1.975 406 A HA 0.157 4.477 4.320 0.000 0.000 0.215 406 A C 1.931 179.522 177.584 0.011 0.000 1.170 406 A CA 1.474 53.521 52.037 0.016 0.000 0.656 406 A CB -0.431 18.578 19.000 0.014 0.000 0.821 406 A HN 0.305 nan 8.150 nan 0.000 0.449 407 V N 0.256 120.175 119.914 0.008 0.000 2.591 407 V HA -0.173 3.947 4.120 0.000 0.000 0.249 407 V C 2.234 178.332 176.094 0.006 0.000 1.053 407 V CA 1.910 64.213 62.300 0.004 0.000 1.068 407 V CB -0.676 31.147 31.823 -0.001 0.000 0.689 407 V HN 0.605 nan 8.190 nan 0.000 0.462 408 E N 0.095 120.300 120.200 0.008 0.000 2.076 408 E HA -0.112 4.238 4.350 0.000 0.000 0.190 408 E C 1.645 178.252 176.600 0.012 0.000 0.979 408 E CA 1.179 57.585 56.400 0.010 0.000 0.807 408 E CB 0.073 29.781 29.700 0.013 0.000 0.761 408 E HN 0.651 nan 8.360 nan 0.000 0.454 409 E N -0.671 119.538 120.200 0.015 0.000 2.606 409 E HA 0.209 4.559 4.350 0.000 0.000 0.224 409 E C 0.486 177.095 176.600 0.015 0.000 0.930 409 E CA 0.209 56.618 56.400 0.015 0.000 1.125 409 E CB 1.763 31.474 29.700 0.018 0.000 1.123 409 E HN 0.204 nan 8.360 nan 0.000 0.522 410 G N 1.394 110.203 108.800 0.014 0.000 2.512 410 G HA2 -0.185 3.775 3.960 0.000 0.000 0.210 410 G HA3 -0.185 3.775 3.960 0.000 0.000 0.210 410 G C -0.575 174.335 174.900 0.016 0.000 1.295 410 G CA -0.477 44.632 45.100 0.014 0.000 0.934 410 G HN 0.510 nan 8.290 nan 0.000 0.554 411 V N -2.716 117.208 119.914 0.015 0.000 2.971 411 V HA 0.957 5.077 4.120 0.000 0.000 0.309 411 V C 0.443 176.547 176.094 0.017 0.000 1.130 411 V CA 0.150 62.460 62.300 0.016 0.000 0.964 411 V CB 1.066 32.897 31.823 0.013 0.000 1.029 411 V HN 2.437 nan 8.190 nan 0.000 0.427 412 V N 0.065 119.990 119.914 0.017 0.000 3.145 412 V HA 1.054 5.174 4.120 0.000 0.000 0.311 412 V C 0.557 176.660 176.094 0.016 0.000 1.238 412 V CA -0.654 61.657 62.300 0.019 0.000 1.066 412 V CB 1.345 33.180 31.823 0.021 0.000 1.144 412 V HN 2.002 nan 8.190 nan 0.000 0.465 413 A N 0.204 123.034 122.820 0.018 0.000 2.440 413 A HA 0.737 5.057 4.320 0.000 0.000 0.251 413 A C 0.679 178.267 177.584 0.006 0.000 1.089 413 A CA 0.442 52.486 52.037 0.011 0.000 0.779 413 A CB -0.193 18.816 19.000 0.014 0.000 1.022 413 A HN 1.834 nan 8.150 nan 0.000 0.492 414 G N 0.064 108.862 108.800 -0.003 0.000 2.510 414 G HA2 0.522 4.482 3.960 0.000 0.000 0.280 414 G HA3 0.522 4.482 3.960 0.000 0.000 0.280 414 G C 1.068 175.963 174.900 -0.008 0.000 1.386 414 G CA -0.067 45.030 45.100 -0.005 0.000 1.047 414 G HN 2.219 nan 8.290 nan 0.000 0.527 415 G N -2.228 106.567 108.800 -0.008 0.000 2.168 415 G HA2 0.211 4.171 3.960 0.000 0.000 0.257 415 G HA3 0.211 4.171 3.960 0.000 0.000 0.257 415 G C 1.477 176.383 174.900 0.011 0.000 0.997 415 G CA 1.156 46.254 45.100 -0.003 0.000 0.708 415 G HN 2.525 nan 8.290 nan 0.000 0.520 416 G N -2.424 106.383 108.800 0.011 0.000 2.162 416 G HA2 -0.082 3.878 3.960 0.000 0.000 0.260 416 G HA3 -0.082 3.878 3.960 0.000 0.000 0.260 416 G C 1.706 176.618 174.900 0.020 0.000 0.976 416 G CA 1.850 46.960 45.100 0.016 0.000 0.655 416 G HN 2.226 nan 8.290 nan 0.000 0.533 417 V N -2.807 117.119 119.914 0.020 0.000 3.052 417 V HA 0.577 4.697 4.120 0.000 0.000 0.254 417 V C 2.662 178.775 176.094 0.032 0.000 1.100 417 V CA 1.520 63.836 62.300 0.026 0.000 1.112 417 V CB -0.345 31.489 31.823 0.018 0.000 0.738 417 V HN 1.248 nan 8.190 nan 0.000 0.469 418 A N 1.098 123.934 122.820 0.027 0.000 1.902 418 A HA -0.030 4.290 4.320 0.000 0.000 0.217 418 A C 2.202 179.804 177.584 0.029 0.000 1.181 418 A CA 2.170 54.224 52.037 0.029 0.000 0.623 418 A CB -0.660 18.354 19.000 0.024 0.000 0.818 418 A HN 0.566 nan 8.150 nan 0.000 0.443 419 L N -0.921 120.318 121.223 0.026 0.000 2.017 419 L HA -0.142 4.198 4.340 0.000 0.000 0.208 419 L C 2.514 179.400 176.870 0.027 0.000 1.073 419 L CA 1.469 56.324 54.840 0.025 0.000 0.745 419 L CB -0.362 41.711 42.059 0.022 0.000 0.894 419 L HN 0.455 nan 8.230 nan 0.000 0.432 420 I N -0.557 120.032 120.570 0.030 0.000 2.394 420 I HA -0.287 3.883 4.170 0.000 0.000 0.251 420 I C 2.756 178.898 176.117 0.042 0.000 1.136 420 I CA 0.797 62.117 61.300 0.034 0.000 1.425 420 I CB 0.026 38.048 38.000 0.037 0.000 1.079 420 I HN 0.204 nan 8.210 nan 0.000 0.425 421 R N 0.431 120.959 120.500 0.046 0.000 2.062 421 R HA -0.106 4.234 4.340 0.000 0.000 0.231 421 R C 2.018 178.342 176.300 0.039 0.000 1.136 421 R CA 1.965 58.095 56.100 0.051 0.000 0.948 421 R CB -0.994 29.341 30.300 0.058 0.000 0.845 421 R HN 0.218 nan 8.270 nan 0.000 0.430 422 V N 0.918 120.851 119.914 0.032 0.000 2.469 422 V HA -0.215 3.905 4.120 0.000 0.000 0.251 422 V C 2.281 178.388 176.094 0.022 0.000 1.064 422 V CA 1.961 64.276 62.300 0.025 0.000 1.066 422 V CB -0.882 30.953 31.823 0.021 0.000 0.667 422 V HN 0.530 nan 8.190 nan 0.000 0.461 423 A N 0.479 123.313 122.820 0.023 0.000 1.930 423 A HA -0.112 4.208 4.320 0.000 0.000 0.215 423 A C 2.498 180.094 177.584 0.021 0.000 1.176 423 A CA 1.562 53.611 52.037 0.020 0.000 0.632 423 A CB -0.561 18.451 19.000 0.020 0.000 0.819 423 A HN 0.655 nan 8.150 nan 0.000 0.445 424 S N 0.177 115.892 115.700 0.026 0.000 2.423 424 S HA -0.112 4.358 4.470 0.000 0.000 0.231 424 S C 1.614 176.227 174.600 0.022 0.000 1.014 424 S CA 1.357 59.572 58.200 0.026 0.000 0.965 424 S CB -0.338 62.883 63.200 0.034 0.000 0.785 424 S HN 0.575 nan 8.310 nan 0.000 0.495 425 K N 0.577 120.990 120.400 0.022 0.000 2.486 425 K HA 0.248 4.568 4.320 0.000 0.000 0.194 425 K C 0.517 177.125 176.600 0.014 0.000 1.033 425 K CA 0.453 56.751 56.287 0.018 0.000 1.004 425 K CB -0.138 32.374 32.500 0.020 0.000 0.798 425 K HN 0.424 nan 8.250 nan 0.000 0.495 426 L N -0.234 120.997 121.223 0.013 0.000 3.110 426 L HA 0.264 4.604 4.340 0.000 0.000 0.266 426 L C 1.414 178.290 176.870 0.009 0.000 1.257 426 L CA -0.280 54.566 54.840 0.011 0.000 1.038 426 L CB 0.640 42.705 42.059 0.010 0.000 1.395 426 L HN -0.016 nan 8.230 nan 0.000 0.566 427 A N -0.277 122.549 122.820 0.010 0.000 1.972 427 A HA -0.165 4.155 4.320 0.000 0.000 0.219 427 A C 1.669 179.257 177.584 0.007 0.000 1.169 427 A CA 1.578 53.620 52.037 0.009 0.000 0.635 427 A CB -0.138 18.867 19.000 0.009 0.000 0.810 427 A HN 0.363 nan 8.150 nan 0.000 0.446 428 D N -0.918 119.486 120.400 0.006 0.000 2.340 428 D HA 0.086 4.726 4.640 0.000 0.000 0.220 428 D C 0.169 176.472 176.300 0.004 0.000 1.039 428 D CA -0.072 53.931 54.000 0.005 0.000 0.866 428 D CB -0.049 40.754 40.800 0.004 0.000 0.913 428 D HN 0.333 nan 8.370 nan 0.000 0.523 429 L N 2.602 123.828 121.223 0.005 0.000 2.530 429 L HA 0.044 4.384 4.340 0.000 0.000 0.273 429 L C 0.222 177.094 176.870 0.004 0.000 1.141 429 L CA 0.367 55.209 54.840 0.004 0.000 0.905 429 L CB -0.049 42.013 42.059 0.005 0.000 1.202 429 L HN -0.248 nan 8.230 nan 0.000 0.473 430 R N 3.309 123.811 120.500 0.003 0.000 2.856 430 R HA 0.744 5.084 4.340 0.000 0.000 0.258 430 R C 0.161 176.463 176.300 0.002 0.000 1.066 430 R CA -0.222 55.880 56.100 0.003 0.000 1.045 430 R CB 1.222 31.524 30.300 0.003 0.000 1.178 430 R HN 0.746 nan 8.270 nan 0.000 0.499 431 G N -0.434 108.367 108.800 0.002 0.000 3.286 431 G HA2 0.161 4.121 3.960 0.000 0.000 0.166 431 G HA3 0.161 4.121 3.960 0.000 0.000 0.166 431 G C 0.111 175.012 174.900 0.002 0.000 1.155 431 G CA -0.071 45.031 45.100 0.002 0.000 0.871 431 G HN 0.424 nan 8.290 nan 0.000 0.637 432 Q N -0.576 119.225 119.800 0.002 0.000 2.423 432 Q HA 0.185 4.525 4.340 0.000 0.000 0.231 432 Q C 0.253 176.254 176.000 0.002 0.000 0.894 432 Q CA 0.553 56.358 55.803 0.002 0.000 0.938 432 Q CB 0.447 29.186 28.738 0.002 0.000 1.079 432 Q HN 0.629 nan 8.270 nan 0.000 0.552 433 N N -1.390 117.311 118.700 0.002 0.000 3.167 433 N HA 0.167 4.907 4.740 0.000 0.000 0.323 433 N C -0.042 175.469 175.510 0.003 0.000 1.478 433 N CA -0.628 52.423 53.050 0.002 0.000 0.753 433 N CB 0.460 38.949 38.487 0.003 0.000 1.721 433 N HN -0.332 nan 8.380 nan 0.000 0.618 434 K N -0.821 119.580 120.400 0.003 0.000 2.296 434 K HA 0.085 4.405 4.320 0.000 0.000 0.200 434 K C 0.226 176.828 176.600 0.003 0.000 1.048 434 K CA 1.271 57.560 56.287 0.003 0.000 0.966 434 K CB -0.411 32.090 32.500 0.002 0.000 0.754 434 K HN 0.551 nan 8.250 nan 0.000 0.466 435 D N 0.185 120.587 120.400 0.003 0.000 2.162 435 D HA -0.084 4.556 4.640 0.000 0.000 0.203 435 D C 1.731 178.034 176.300 0.004 0.000 0.967 435 D CA 0.947 54.949 54.000 0.004 0.000 0.840 435 D CB 0.021 40.824 40.800 0.005 0.000 0.972 435 D HN 0.318 nan 8.370 nan 0.000 0.482 436 Q N 0.284 120.086 119.800 0.004 0.000 2.084 436 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 436 Q C 1.731 177.734 176.000 0.004 0.000 0.978 436 Q CA 0.917 56.723 55.803 0.004 0.000 0.844 436 Q CB -0.132 28.608 28.738 0.003 0.000 0.898 436 Q HN 0.210 nan 8.270 nan 0.000 0.426 437 N N 0.249 118.952 118.700 0.004 0.000 2.104 437 N HA -0.137 4.603 4.740 0.000 0.000 0.190 437 N C 1.814 177.327 175.510 0.004 0.000 1.024 437 N CA 1.206 54.259 53.050 0.004 0.000 0.853 437 N CB -0.426 38.063 38.487 0.003 0.000 1.008 437 N HN 0.050 nan 8.380 nan 0.000 0.424 438 V N 0.239 120.155 119.914 0.004 0.000 2.407 438 V HA -0.133 3.987 4.120 0.000 0.000 0.248 438 V C 2.350 178.448 176.094 0.005 0.000 1.055 438 V CA 1.954 64.257 62.300 0.005 0.000 1.049 438 V CB -1.283 30.542 31.823 0.004 0.000 0.662 438 V HN 0.376 nan 8.190 nan 0.000 0.455 439 G N -0.077 108.727 108.800 0.005 0.000 2.422 439 G HA2 -0.161 3.799 3.960 0.000 0.000 0.218 439 G HA3 -0.161 3.799 3.960 0.000 0.000 0.218 439 G C 1.559 176.463 174.900 0.006 0.000 1.140 439 G CA 0.797 45.901 45.100 0.006 0.000 0.775 439 G HN 0.508 nan 8.290 nan 0.000 0.545 440 I N 0.181 120.754 120.570 0.005 0.000 2.252 440 I HA -0.095 4.075 4.170 0.000 0.000 0.245 440 I C 2.701 178.821 176.117 0.006 0.000 1.102 440 I CA 0.818 62.121 61.300 0.005 0.000 1.385 440 I CB -0.071 37.932 38.000 0.005 0.000 1.064 440 I HN -0.052 nan 8.210 nan 0.000 0.414 441 K N 0.719 121.123 120.400 0.006 0.000 2.026 441 K HA -0.098 4.222 4.320 0.000 0.000 0.208 441 K C 2.201 178.806 176.600 0.007 0.000 1.048 441 K CA 1.102 57.393 56.287 0.007 0.000 0.929 441 K CB -0.761 31.742 32.500 0.006 0.000 0.713 441 K HN 0.181 nan 8.250 nan 0.000 0.439 442 V N 1.776 121.694 119.914 0.007 0.000 2.282 442 V HA -0.302 3.818 4.120 0.000 0.000 0.249 442 V C 2.506 178.605 176.094 0.009 0.000 1.057 442 V CA 2.152 64.457 62.300 0.008 0.000 1.032 442 V CB -0.874 30.953 31.823 0.008 0.000 0.645 442 V HN 0.331 nan 8.190 nan 0.000 0.447 443 A N -0.423 122.402 122.820 0.009 0.000 1.902 443 A HA -0.171 4.149 4.320 0.000 0.000 0.217 443 A C 2.206 179.796 177.584 0.010 0.000 1.181 443 A CA 1.945 53.988 52.037 0.010 0.000 0.623 443 A CB -0.536 18.469 19.000 0.008 0.000 0.818 443 A HN 0.523 nan 8.150 nan 0.000 0.443 444 L N -1.279 119.950 121.223 0.010 0.000 2.056 444 L HA -0.171 4.169 4.340 0.000 0.000 0.207 444 L C 2.872 179.749 176.870 0.012 0.000 1.078 444 L CA 1.446 56.292 54.840 0.011 0.000 0.749 444 L CB -0.482 41.583 42.059 0.010 0.000 0.901 444 L HN 0.339 nan 8.230 nan 0.000 0.433 445 R N -0.033 120.473 120.500 0.010 0.000 2.092 445 R HA -0.092 4.248 4.340 0.000 0.000 0.231 445 R C 2.410 178.717 176.300 0.011 0.000 1.119 445 R CA 1.214 57.320 56.100 0.010 0.000 0.970 445 R CB -0.444 29.860 30.300 0.008 0.000 0.864 445 R HN 0.336 nan 8.270 nan 0.000 0.440 446 A N 0.876 123.703 122.820 0.011 0.000 2.019 446 A HA -0.142 4.178 4.320 0.000 0.000 0.219 446 A C 2.010 179.602 177.584 0.014 0.000 1.164 446 A CA 1.227 53.272 52.037 0.012 0.000 0.644 446 A CB -0.375 18.633 19.000 0.013 0.000 0.805 446 A HN 0.211 nan 8.150 nan 0.000 0.449 447 M N -0.515 119.094 119.600 0.015 0.000 2.557 447 M HA -0.084 4.396 4.480 0.000 0.000 0.259 447 M C 1.597 177.907 176.300 0.017 0.000 1.086 447 M CA 1.015 56.325 55.300 0.017 0.000 1.096 447 M CB -0.227 32.384 32.600 0.018 0.000 1.424 447 M HN 0.477 nan 8.290 nan 0.000 0.488 448 E N 0.816 121.025 120.200 0.015 0.000 2.112 448 E HA -0.050 4.300 4.350 0.000 0.000 0.190 448 E C 2.247 178.854 176.600 0.011 0.000 0.979 448 E CA 0.853 57.261 56.400 0.014 0.000 0.814 448 E CB -0.202 29.505 29.700 0.012 0.000 0.762 448 E HN 0.495 nan 8.360 nan 0.000 0.460 449 A N 2.613 125.439 122.820 0.010 0.000 1.883 449 A HA -0.247 4.073 4.320 0.000 0.000 0.222 449 A C -0.241 177.348 177.584 0.008 0.000 1.339 449 A CA 2.347 54.389 52.037 0.008 0.000 0.692 449 A CB -1.993 17.012 19.000 0.009 0.000 0.845 449 A HN 0.153 nan 8.150 nan 0.000 0.467 450 P HA -0.205 nan 4.420 nan 0.000 0.217 450 P C 1.810 179.117 177.300 0.011 0.000 1.158 450 P CA 1.493 64.600 63.100 0.011 0.000 0.887 450 P CB -0.165 31.543 31.700 0.014 0.000 0.792 451 L N -0.940 120.290 121.223 0.013 0.000 1.976 451 L HA -0.201 4.139 4.340 0.000 0.000 0.209 451 L C 2.616 179.489 176.870 0.004 0.000 1.071 451 L CA 1.807 56.655 54.840 0.013 0.000 0.746 451 L CB -0.419 41.649 42.059 0.015 0.000 0.890 451 L HN -0.203 nan 8.230 nan 0.000 0.432 452 R N -0.797 119.701 120.500 -0.002 0.000 2.119 452 R HA -0.277 4.063 4.340 0.000 0.000 0.246 452 R C 2.313 178.609 176.300 -0.006 0.000 1.146 452 R CA 1.933 58.027 56.100 -0.010 0.000 0.962 452 R CB -0.469 29.827 30.300 -0.006 0.000 0.863 452 R HN 0.405 nan 8.270 nan 0.000 0.442 453 Q N 0.932 120.732 119.800 0.001 0.000 2.124 453 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 453 Q C 1.815 177.818 176.000 0.005 0.000 0.977 453 Q CA 1.544 57.349 55.803 0.002 0.000 0.850 453 Q CB -0.066 28.674 28.738 0.004 0.000 0.901 453 Q HN 0.405 nan 8.270 nan 0.000 0.429 454 I N -0.888 119.688 120.570 0.010 0.000 2.546 454 I HA -0.168 4.002 4.170 0.000 0.000 0.255 454 I C 1.819 177.954 176.117 0.029 0.000 1.163 454 I CA 0.418 61.730 61.300 0.019 0.000 1.457 454 I CB -0.087 37.928 38.000 0.026 0.000 1.092 454 I HN 0.008 nan 8.210 nan 0.000 0.434 455 V N 0.579 120.503 119.914 0.017 0.000 2.453 455 V HA -0.230 3.890 4.120 0.000 0.000 0.247 455 V C 2.383 178.474 176.094 -0.005 0.000 1.048 455 V CA 1.188 63.487 62.300 -0.001 0.000 1.049 455 V CB -0.478 31.300 31.823 -0.075 0.000 0.672 455 V HN 0.298 nan 8.190 nan 0.000 0.457 456 L N 1.217 122.436 121.223 -0.006 0.000 1.971 456 L HA -0.207 4.133 4.340 0.000 0.000 0.215 456 L C 2.281 179.153 176.870 0.003 0.000 1.072 456 L CA 2.094 56.931 54.840 -0.004 0.000 0.758 456 L CB -1.056 41.001 42.059 -0.003 0.000 0.889 456 L HN 0.320 nan 8.230 nan 0.000 0.433 457 N N -1.087 117.617 118.700 0.007 0.000 2.247 457 N HA -0.208 4.532 4.740 0.000 0.000 0.189 457 N C 1.740 177.257 175.510 0.011 0.000 1.009 457 N CA 1.710 54.765 53.050 0.008 0.000 0.872 457 N CB -0.828 37.663 38.487 0.007 0.000 0.980 457 N HN 0.475 nan 8.380 nan 0.000 0.436 458 C N -1.541 117.771 119.300 0.020 0.000 2.533 458 C HA 0.339 4.799 4.460 0.000 0.000 0.272 458 C C 1.702 176.705 174.990 0.023 0.000 1.371 458 C CA 0.396 59.431 59.018 0.029 0.000 1.758 458 C CB -0.762 27.015 27.740 0.062 0.000 1.972 458 C HN 0.611 nan 8.230 nan 0.000 0.522 459 G N 0.843 109.652 108.800 0.015 0.000 2.134 459 G HA2 -0.124 3.836 3.960 0.000 0.000 0.209 459 G HA3 -0.124 3.836 3.960 0.000 0.000 0.209 459 G C -0.378 174.526 174.900 0.007 0.000 0.993 459 G CA -0.114 44.992 45.100 0.010 0.000 0.669 459 G HN 0.471 nan 8.290 nan 0.000 0.519 460 E N 0.256 120.457 120.200 0.001 0.000 2.243 460 E HA 0.472 4.822 4.350 0.000 0.000 0.260 460 E C -0.014 176.567 176.600 -0.033 0.000 0.985 460 E CA -0.793 55.598 56.400 -0.015 0.000 0.858 460 E CB 1.014 30.695 29.700 -0.031 0.000 1.210 460 E HN 0.468 nan 8.360 nan 0.000 0.411 461 E N 1.628 121.805 120.200 -0.039 0.000 2.257 461 E HA 0.090 4.440 4.350 0.000 0.000 0.278 461 E C -1.659 174.907 176.600 -0.057 0.000 1.049 461 E CA -1.536 54.843 56.400 -0.036 0.000 0.876 461 E CB 0.872 30.559 29.700 -0.023 0.000 1.035 461 E HN 0.144 nan 8.360 nan 0.000 0.419 462 P HA -0.123 nan 4.420 nan 0.000 0.219 462 P C 1.118 178.394 177.300 -0.040 0.000 1.154 462 P CA 0.802 63.871 63.100 -0.050 0.000 0.826 462 P CB 0.314 31.997 31.700 -0.029 0.000 0.795 463 S N -0.356 115.329 115.700 -0.025 0.000 2.368 463 S HA -0.131 4.339 4.470 0.000 0.000 0.225 463 S C 2.051 176.642 174.600 -0.015 0.000 1.030 463 S CA 1.426 59.617 58.200 -0.015 0.000 0.999 463 S CB -1.862 61.333 63.200 -0.010 0.000 0.844 463 S HN -0.065 nan 8.310 nan 0.000 0.459 464 V N 1.978 121.880 119.914 -0.020 0.000 2.237 464 V HA -0.150 3.970 4.120 0.000 0.000 0.245 464 V C 2.603 178.696 176.094 -0.002 0.000 1.046 464 V CA 1.774 64.067 62.300 -0.012 0.000 1.007 464 V CB -0.871 30.944 31.823 -0.012 0.000 0.638 464 V HN 0.444 nan 8.190 nan 0.000 0.445 465 V N 0.243 120.134 119.914 -0.038 0.000 2.594 465 V HA -0.213 3.907 4.120 0.000 0.000 0.253 465 V C 2.577 178.681 176.094 0.015 0.000 1.069 465 V CA 1.790 64.063 62.300 -0.044 0.000 1.082 465 V CB -1.097 30.520 31.823 -0.344 0.000 0.680 465 V HN 0.554 nan 8.190 nan 0.000 0.469 466 A N 0.585 123.401 122.820 -0.007 0.000 1.897 466 A HA -0.203 4.117 4.320 0.000 0.000 0.215 466 A C 2.097 179.704 177.584 0.037 0.000 1.181 466 A CA 1.902 53.948 52.037 0.015 0.000 0.620 466 A CB -0.693 18.308 19.000 0.002 0.000 0.821 466 A HN 0.583 nan 8.150 nan 0.000 0.443 467 N N -0.224 118.492 118.700 0.025 0.000 2.084 467 N HA -0.128 4.612 4.740 0.000 0.000 0.190 467 N C 1.669 177.201 175.510 0.036 0.000 1.030 467 N CA 2.448 55.513 53.050 0.024 0.000 0.849 467 N CB -0.491 38.002 38.487 0.009 0.000 1.012 467 N HN 0.368 nan 8.380 nan 0.000 0.423 468 T N -0.188 114.388 114.554 0.037 0.000 2.652 468 T HA -0.119 4.231 4.350 0.000 0.000 0.267 468 T C 1.966 176.737 174.700 0.119 0.000 1.039 468 T CA 1.639 63.744 62.100 0.008 0.000 1.153 468 T CB -0.658 68.154 68.868 -0.094 0.000 0.863 468 T HN 0.050 nan 8.240 nan 0.000 0.428 469 V N 1.512 121.547 119.914 0.201 0.000 2.407 469 V HA -0.177 3.943 4.120 0.000 0.000 0.248 469 V C 2.492 178.708 176.094 0.203 0.000 1.055 469 V CA 1.496 63.944 62.300 0.246 0.000 1.049 469 V CB -0.562 31.360 31.823 0.164 0.000 0.662 469 V HN 0.462 nan 8.190 nan 0.000 0.455 470 K N 0.176 120.648 120.400 0.121 0.000 2.147 470 K HA -0.129 4.191 4.320 0.000 0.000 0.205 470 K C 2.191 178.838 176.600 0.079 0.000 1.049 470 K CA 1.358 57.696 56.287 0.086 0.000 0.936 470 K CB -0.512 32.019 32.500 0.052 0.000 0.722 470 K HN 0.587 nan 8.250 nan 0.000 0.446 471 G N 0.850 109.695 108.800 0.075 0.000 2.443 471 G HA2 -0.097 3.863 3.960 0.000 0.000 0.219 471 G HA3 -0.097 3.863 3.960 0.000 0.000 0.219 471 G C 0.832 175.735 174.900 0.005 0.000 1.131 471 G CA 0.657 45.774 45.100 0.029 0.000 0.775 471 G HN 0.380 nan 8.290 nan 0.000 0.547 472 G N -0.945 107.896 108.800 0.068 0.000 2.525 472 G HA2 0.450 4.410 3.960 0.000 0.000 0.276 472 G HA3 0.450 4.410 3.960 0.000 0.000 0.276 472 G C -0.810 174.108 174.900 0.030 0.000 1.388 472 G CA -0.202 44.865 45.100 -0.054 0.000 1.050 472 G HN 0.161 nan 8.290 nan 0.000 0.520 473 D N -2.569 117.848 120.400 0.028 0.000 2.596 473 D HA 0.519 5.159 4.640 0.000 0.000 0.262 473 D C 0.750 177.108 176.300 0.096 0.000 1.210 473 D CA 0.798 54.832 54.000 0.057 0.000 0.873 473 D CB 1.795 42.602 40.800 0.012 0.000 1.408 473 D HN 0.943 nan 8.370 nan 0.000 0.441 474 G N 0.988 109.834 108.800 0.077 0.000 2.566 474 G HA2 -0.343 3.617 3.960 0.000 0.000 0.280 474 G HA3 -0.343 3.617 3.960 0.000 0.000 0.280 474 G C 0.422 175.386 174.900 0.107 0.000 1.225 474 G CA 0.461 45.608 45.100 0.079 0.000 0.966 474 G HN 0.585 nan 8.290 nan 0.000 0.560 475 N N -0.078 118.683 118.700 0.102 0.000 2.485 475 N HA 0.199 4.939 4.740 0.000 0.000 0.199 475 N C 0.356 175.945 175.510 0.132 0.000 1.236 475 N CA 0.148 53.255 53.050 0.094 0.000 0.852 475 N CB -0.022 38.504 38.487 0.064 0.000 1.018 475 N HN 0.502 nan 8.380 nan 0.000 0.457 476 Y N 0.890 121.222 120.300 0.053 0.000 2.650 476 Y HA 0.314 4.864 4.550 0.000 0.000 0.331 476 Y C 0.852 176.816 175.900 0.108 0.000 1.165 476 Y CA 0.073 58.220 58.100 0.078 0.000 1.473 476 Y CB -0.066 38.438 38.460 0.072 0.000 1.224 476 Y HN 0.023 nan 8.280 nan 0.000 0.533 477 G N 4.235 112.801 108.800 -0.390 0.000 2.947 477 G HA2 0.317 4.277 3.960 0.000 0.000 0.293 477 G HA3 0.317 4.277 3.960 0.000 0.000 0.293 477 G C -2.370 172.387 174.900 -0.239 0.000 1.243 477 G CA -0.839 44.117 45.100 -0.239 0.000 0.802 477 G HN 0.546 nan 8.290 nan 0.000 0.560 478 Y N 0.982 121.113 120.300 -0.281 0.000 2.391 478 Y HA 0.601 5.151 4.550 0.000 0.000 0.341 478 Y C -0.591 175.141 175.900 -0.279 0.000 0.965 478 Y CA -1.257 56.593 58.100 -0.417 0.000 1.067 478 Y CB 1.986 40.114 38.460 -0.555 0.000 1.199 478 Y HN 0.432 nan 8.280 nan 0.000 0.450 479 N N 4.598 122.812 118.700 -0.809 0.000 2.437 479 N HA 0.216 4.956 4.740 0.000 0.000 0.243 479 N C 0.466 175.474 175.510 -0.837 0.000 1.041 479 N CA 0.649 53.331 53.050 -0.612 0.000 0.940 479 N CB 1.562 39.810 38.487 -0.397 0.000 1.133 479 N HN 0.947 nan 8.380 nan 0.000 0.506 480 A N 3.830 126.366 122.820 -0.473 0.000 1.972 480 A HA -0.073 4.247 4.320 0.000 0.000 0.219 480 A C 1.992 179.453 177.584 -0.205 0.000 1.169 480 A CA 1.790 53.668 52.037 -0.265 0.000 0.635 480 A CB -0.444 18.523 19.000 -0.055 0.000 0.810 480 A HN 0.708 nan 8.150 nan 0.000 0.446 481 A N -0.597 122.107 122.820 -0.194 0.000 1.897 481 A HA 0.001 4.321 4.320 0.000 0.000 0.215 481 A C 2.313 179.819 177.584 -0.129 0.000 1.181 481 A CA 2.189 54.151 52.037 -0.125 0.000 0.620 481 A CB -0.845 18.094 19.000 -0.101 0.000 0.821 481 A HN 0.705 nan 8.150 nan 0.000 0.443 482 T N -4.082 110.361 114.554 -0.185 0.000 3.014 482 T HA 0.237 4.587 4.350 0.000 0.000 0.250 482 T C 0.347 174.944 174.700 -0.172 0.000 1.060 482 T CA 0.666 62.676 62.100 -0.149 0.000 1.040 482 T CB -0.113 68.675 68.868 -0.134 0.000 0.971 482 T HN 0.540 nan 8.240 nan 0.000 0.497 483 E N 0.905 120.913 120.200 -0.320 0.000 2.553 483 E HA -0.116 4.234 4.350 0.000 0.000 0.264 483 E C -0.947 175.485 176.600 -0.280 0.000 1.068 483 E CA 0.342 56.557 56.400 -0.309 0.000 0.774 483 E CB -0.922 28.775 29.700 -0.005 0.000 1.349 483 E HN 0.589 nan 8.360 nan 0.000 0.404 484 E N -0.244 119.687 120.200 -0.449 0.000 2.227 484 E HA 0.392 4.742 4.350 0.000 0.000 0.268 484 E C -0.497 175.924 176.600 -0.299 0.000 0.907 484 E CA -0.619 55.657 56.400 -0.206 0.000 0.786 484 E CB 0.968 30.611 29.700 -0.095 0.000 1.191 484 E HN 0.062 nan 8.360 nan 0.000 0.411 485 Y N 0.038 120.346 120.300 0.013 0.000 2.354 485 Y HA 0.591 5.141 4.550 0.000 0.000 0.322 485 Y C 1.184 177.076 175.900 -0.014 0.000 1.253 485 Y CA 0.610 58.701 58.100 -0.015 0.000 1.272 485 Y CB 1.794 40.322 38.460 0.114 0.000 1.255 485 Y HN 0.679 nan 8.280 nan 0.000 0.500 486 G N 0.930 109.761 108.800 0.052 0.000 2.356 486 G HA2 -0.079 3.881 3.960 0.000 0.000 0.288 486 G HA3 -0.079 3.881 3.960 0.000 0.000 0.288 486 G C -1.768 173.186 174.900 0.090 0.000 1.302 486 G CA -1.259 43.942 45.100 0.169 0.000 0.887 486 G HN 0.512 nan 8.290 nan 0.000 0.521 487 N N 0.825 119.607 118.700 0.135 0.000 2.468 487 N HA 0.092 4.832 4.740 0.000 0.000 0.265 487 N C 1.660 177.182 175.510 0.020 0.000 1.199 487 N CA -0.275 52.831 53.050 0.093 0.000 0.928 487 N CB 0.755 39.296 38.487 0.090 0.000 1.059 487 N HN 0.384 nan 8.380 nan 0.000 0.467 488 M N 3.418 123.018 119.600 -0.001 0.000 2.254 488 M HA -0.081 4.399 4.480 0.000 0.000 0.265 488 M C 1.625 177.917 176.300 -0.012 0.000 1.066 488 M CA 0.735 56.018 55.300 -0.027 0.000 1.123 488 M CB -0.419 32.163 32.600 -0.031 0.000 1.388 488 M HN 0.540 nan 8.290 nan 0.000 0.425 489 I N 0.688 121.261 120.570 0.007 0.000 2.252 489 I HA -0.245 3.925 4.170 0.000 0.000 0.245 489 I C 1.687 177.808 176.117 0.006 0.000 1.102 489 I CA 1.402 62.707 61.300 0.008 0.000 1.385 489 I CB -1.525 36.486 38.000 0.018 0.000 1.064 489 I HN 0.213 nan 8.210 nan 0.000 0.414 490 D N 0.345 120.752 120.400 0.011 0.000 2.149 490 D HA -0.099 4.541 4.640 0.000 0.000 0.201 490 D C 2.302 178.601 176.300 -0.002 0.000 0.972 490 D CA 1.040 55.046 54.000 0.010 0.000 0.835 490 D CB -0.127 40.687 40.800 0.022 0.000 0.966 490 D HN 0.294 nan 8.370 nan 0.000 0.476 491 M N -1.073 118.519 119.600 -0.012 0.000 2.506 491 M HA 0.153 4.633 4.480 0.000 0.000 0.260 491 M C 1.388 177.668 176.300 -0.033 0.000 1.104 491 M CA 0.928 56.211 55.300 -0.029 0.000 1.112 491 M CB 0.732 33.301 32.600 -0.051 0.000 1.401 491 M HN 0.236 nan 8.290 nan 0.000 0.473 492 G N 0.779 109.564 108.800 -0.026 0.000 2.612 492 G HA2 -0.167 3.793 3.960 0.000 0.000 0.200 492 G HA3 -0.167 3.793 3.960 0.000 0.000 0.200 492 G C 0.248 175.133 174.900 -0.025 0.000 1.053 492 G CA -0.638 44.448 45.100 -0.024 0.000 0.707 492 G HN 0.327 nan 8.290 nan 0.000 0.497 493 I N 3.299 123.847 120.570 -0.037 0.000 2.691 493 I HA 0.387 4.557 4.170 0.000 0.000 0.288 493 I C 0.277 176.380 176.117 -0.023 0.000 1.143 493 I CA 0.324 61.602 61.300 -0.036 0.000 1.364 493 I CB -0.294 37.672 38.000 -0.057 0.000 1.435 493 I HN 0.385 nan 8.210 nan 0.000 0.551 494 L N 4.040 125.255 121.223 -0.013 0.000 2.465 494 L HA 0.748 5.088 4.340 0.000 0.000 0.257 494 L C -1.212 175.658 176.870 0.001 0.000 0.988 494 L CA -0.808 54.030 54.840 -0.004 0.000 0.827 494 L CB 1.766 43.825 42.059 0.001 0.000 1.397 494 L HN 0.104 nan 8.230 nan 0.000 0.410 495 D N 0.413 120.817 120.400 0.006 0.000 2.433 495 D HA 0.524 5.164 4.640 0.000 0.000 0.236 495 D C -2.746 173.564 176.300 0.016 0.000 1.026 495 D CA -1.292 52.715 54.000 0.011 0.000 0.884 495 D CB 2.201 43.008 40.800 0.012 0.000 1.384 495 D HN 0.379 nan 8.370 nan 0.000 0.477 496 P HA 0.054 nan 4.420 nan 0.000 0.268 496 P C 0.832 178.146 177.300 0.024 0.000 1.205 496 P CA 0.029 63.143 63.100 0.023 0.000 0.771 496 P CB 0.490 32.208 31.700 0.030 0.000 0.858 497 T N 1.339 115.906 114.554 0.022 0.000 2.849 497 T HA -0.188 4.162 4.350 0.000 0.000 0.270 497 T C 1.578 176.294 174.700 0.026 0.000 1.066 497 T CA 1.269 63.382 62.100 0.022 0.000 1.130 497 T CB -0.250 68.629 68.868 0.019 0.000 0.864 497 T HN 0.476 nan 8.240 nan 0.000 0.481 498 K N 0.935 121.354 120.400 0.031 0.000 2.001 498 K HA -0.075 4.245 4.320 0.000 0.000 0.208 498 K C 2.511 179.140 176.600 0.048 0.000 1.048 498 K CA 1.382 57.693 56.287 0.039 0.000 0.932 498 K CB -0.341 32.186 32.500 0.044 0.000 0.715 498 K HN 0.326 nan 8.250 nan 0.000 0.437 499 V N -0.587 119.354 119.914 0.046 0.000 2.490 499 V HA -0.183 3.937 4.120 0.000 0.000 0.250 499 V C 1.668 177.789 176.094 0.046 0.000 1.061 499 V CA 2.336 64.664 62.300 0.046 0.000 1.064 499 V CB -0.903 30.940 31.823 0.033 0.000 0.670 499 V HN 0.271 nan 8.190 nan 0.000 0.461 500 T N 0.304 114.880 114.554 0.037 0.000 2.942 500 T HA -0.049 4.301 4.350 0.000 0.000 0.265 500 T C 1.960 176.682 174.700 0.036 0.000 1.062 500 T CA 1.607 63.727 62.100 0.033 0.000 1.139 500 T CB -0.297 68.586 68.868 0.026 0.000 0.883 500 T HN 0.641 nan 8.240 nan 0.000 0.468 501 R N 1.181 121.702 120.500 0.034 0.000 2.073 501 R HA -0.021 4.319 4.340 0.000 0.000 0.229 501 R C 2.342 178.663 176.300 0.035 0.000 1.120 501 R CA 1.462 57.577 56.100 0.025 0.000 0.967 501 R CB -0.266 30.044 30.300 0.017 0.000 0.862 501 R HN 0.228 nan 8.270 nan 0.000 0.436 502 S N 0.884 116.627 115.700 0.072 0.000 2.355 502 S HA -0.062 4.408 4.470 0.000 0.000 0.222 502 S C 2.073 176.803 174.600 0.216 0.000 1.031 502 S CA 1.053 59.345 58.200 0.153 0.000 0.993 502 S CB -0.214 63.117 63.200 0.217 0.000 0.859 502 S HN 0.552 nan 8.310 nan 0.000 0.453 503 A N 1.093 123.997 122.820 0.139 0.000 1.978 503 A HA -0.064 4.256 4.320 0.000 0.000 0.220 503 A C 2.117 179.760 177.584 0.100 0.000 1.170 503 A CA 1.356 53.462 52.037 0.114 0.000 0.636 503 A CB -0.535 18.502 19.000 0.063 0.000 0.810 503 A HN 0.417 nan 8.150 nan 0.000 0.448 504 L N -0.881 120.384 121.223 0.069 0.000 2.127 504 L HA -0.028 4.312 4.340 0.000 0.000 0.203 504 L C 2.420 179.307 176.870 0.029 0.000 1.080 504 L CA 1.808 56.673 54.840 0.042 0.000 0.768 504 L CB -0.514 41.560 42.059 0.025 0.000 0.924 504 L HN 0.445 nan 8.230 nan 0.000 0.444 505 Q N -1.557 118.244 119.800 0.002 0.000 2.046 505 Q HA -0.194 4.146 4.340 0.000 0.000 0.200 505 Q C 2.104 178.055 176.000 -0.082 0.000 0.975 505 Q CA 1.979 57.736 55.803 -0.077 0.000 0.836 505 Q CB -0.263 28.372 28.738 -0.171 0.000 0.896 505 Q HN 0.509 nan 8.270 nan 0.000 0.428 506 Y N 0.214 120.517 120.300 0.005 0.000 2.314 506 Y HA -0.129 4.421 4.550 0.000 0.000 0.293 506 Y C 2.331 178.233 175.900 0.003 0.000 1.129 506 Y CA 0.814 58.916 58.100 0.003 0.000 1.201 506 Y CB -0.502 37.959 38.460 0.002 0.000 0.999 506 Y HN 0.136 nan 8.280 nan 0.000 0.541 507 A N 0.310 123.218 122.820 0.148 0.000 1.873 507 A HA -0.229 4.091 4.320 0.000 0.000 0.218 507 A C 2.478 180.097 177.584 0.057 0.000 1.193 507 A CA 2.279 54.366 52.037 0.084 0.000 0.629 507 A CB -1.323 17.714 19.000 0.060 0.000 0.826 507 A HN 0.399 nan 8.150 nan 0.000 0.447 508 A N -1.203 121.641 122.820 0.039 0.000 1.898 508 A HA -0.069 4.251 4.320 0.000 0.000 0.216 508 A C 2.461 180.059 177.584 0.024 0.000 1.181 508 A CA 2.128 54.179 52.037 0.022 0.000 0.620 508 A CB -1.011 17.993 19.000 0.007 0.000 0.819 508 A HN 0.549 nan 8.150 nan 0.000 0.442 509 S N -0.871 114.845 115.700 0.027 0.000 2.359 509 S HA -0.174 4.296 4.470 0.000 0.000 0.222 509 S C 1.996 176.622 174.600 0.044 0.000 1.038 509 S CA 1.891 60.107 58.200 0.027 0.000 1.051 509 S CB -0.628 62.593 63.200 0.035 0.000 0.944 509 S HN 0.537 nan 8.310 nan 0.000 0.433 510 V N 1.740 121.693 119.914 0.065 0.000 2.307 510 V HA -0.053 4.067 4.120 0.000 0.000 0.245 510 V C 2.586 178.702 176.094 0.037 0.000 1.045 510 V CA 2.164 64.496 62.300 0.053 0.000 1.024 510 V CB -1.184 30.674 31.823 0.058 0.000 0.651 510 V HN 0.588 nan 8.190 nan 0.000 0.449 511 A N 0.115 122.956 122.820 0.035 0.000 1.892 511 A HA -0.121 4.199 4.320 0.000 0.000 0.218 511 A C 2.376 179.973 177.584 0.022 0.000 1.188 511 A CA 2.260 54.313 52.037 0.026 0.000 0.631 511 A CB -1.616 17.398 19.000 0.024 0.000 0.822 511 A HN 0.692 nan 8.150 nan 0.000 0.447 512 G N -0.080 108.732 108.800 0.020 0.000 2.545 512 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 512 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 512 G C 1.564 176.474 174.900 0.017 0.000 1.218 512 G CA 1.188 46.298 45.100 0.016 0.000 0.787 512 G HN 0.447 nan 8.290 nan 0.000 0.571 513 L N -0.300 120.935 121.223 0.020 0.000 2.013 513 L HA -0.175 4.165 4.340 0.000 0.000 0.212 513 L C 3.151 180.033 176.870 0.020 0.000 1.073 513 L CA 1.468 56.320 54.840 0.020 0.000 0.753 513 L CB -0.341 41.731 42.059 0.023 0.000 0.890 513 L HN 0.263 nan 8.230 nan 0.000 0.432 514 M N -0.747 118.866 119.600 0.021 0.000 2.117 514 M HA -0.231 4.249 4.480 0.000 0.000 0.262 514 M C 2.328 178.640 176.300 0.020 0.000 1.065 514 M CA 1.841 57.153 55.300 0.021 0.000 1.114 514 M CB -0.295 32.318 32.600 0.022 0.000 1.361 514 M HN 0.210 nan 8.290 nan 0.000 0.408 515 I N -0.115 120.466 120.570 0.018 0.000 2.208 515 I HA -0.274 3.896 4.170 0.000 0.000 0.245 515 I C 2.056 178.184 176.117 0.017 0.000 1.097 515 I CA 1.770 63.079 61.300 0.016 0.000 1.363 515 I CB -0.644 37.364 38.000 0.015 0.000 1.051 515 I HN 0.399 nan 8.210 nan 0.000 0.413 516 T N -2.431 112.134 114.554 0.018 0.000 3.252 516 T HA 0.067 4.417 4.350 0.000 0.000 0.250 516 T C 0.671 175.384 174.700 0.022 0.000 1.123 516 T CA -0.103 62.008 62.100 0.019 0.000 1.006 516 T CB -0.824 68.054 68.868 0.017 0.000 0.992 516 T HN 0.088 nan 8.240 nan 0.000 0.547 517 T N 2.289 116.857 114.554 0.022 0.000 2.889 517 T HA 0.308 4.658 4.350 0.000 0.000 0.291 517 T C 0.614 175.332 174.700 0.030 0.000 0.995 517 T CA -0.609 61.506 62.100 0.024 0.000 1.092 517 T CB 1.523 70.404 68.868 0.021 0.000 0.954 517 T HN 0.112 nan 8.240 nan 0.000 0.506 518 E N -0.239 119.984 120.200 0.038 0.000 2.571 518 E HA 0.206 4.556 4.350 0.000 0.000 0.222 518 E C 0.059 176.697 176.600 0.064 0.000 0.904 518 E CA 0.009 56.447 56.400 0.063 0.000 1.157 518 E CB 0.906 30.655 29.700 0.083 0.000 1.158 518 E HN 0.616 nan 8.360 nan 0.000 0.540 519 C N 0.098 119.397 119.300 -0.002 0.000 3.318 519 C HA 0.747 5.207 4.460 0.000 0.000 0.322 519 C C -1.723 173.219 174.990 -0.080 0.000 1.398 519 C CA -0.508 58.434 59.018 -0.126 0.000 1.339 519 C CB 1.062 28.628 27.740 -0.290 0.000 1.668 519 C HN 0.148 nan 8.230 nan 0.000 0.462 520 M N 3.477 123.022 119.600 -0.092 0.000 2.277 520 M HA 0.476 4.956 4.480 0.000 0.000 0.282 520 M C -1.078 175.239 176.300 0.029 0.000 1.074 520 M CA -0.355 54.963 55.300 0.031 0.000 0.954 520 M CB 2.029 34.754 32.600 0.209 0.000 1.672 520 M HN 0.464 nan 8.290 nan 0.000 0.471 521 V N 1.020 120.896 119.914 -0.063 0.000 2.612 521 V HA 0.871 4.991 4.120 0.000 0.000 0.301 521 V C -0.027 175.945 176.094 -0.203 0.000 1.046 521 V CA -0.387 61.853 62.300 -0.099 0.000 0.946 521 V CB 1.864 33.641 31.823 -0.076 0.000 1.003 521 V HN 0.926 nan 8.190 nan 0.000 0.459 522 T N 0.773 115.169 114.554 -0.263 0.000 2.769 522 T HA 0.269 4.619 4.350 0.000 0.000 0.306 522 T C -1.676 172.902 174.700 -0.203 0.000 1.400 522 T CA -0.595 61.319 62.100 -0.310 0.000 1.007 522 T CB 1.890 70.410 68.868 -0.580 0.000 1.392 522 T HN 0.740 nan 8.240 nan 0.000 0.500 523 D N 1.756 122.059 120.400 -0.163 0.000 2.345 523 D HA 0.319 4.959 4.640 0.000 0.000 0.247 523 D C 0.010 176.257 176.300 -0.088 0.000 1.108 523 D CA -0.164 53.776 54.000 -0.099 0.000 0.894 523 D CB 0.991 41.746 40.800 -0.076 0.000 1.203 523 D HN 0.256 nan 8.370 nan 0.000 0.430 524 L N 3.639 124.834 121.223 -0.047 0.000 2.485 524 L HA 0.142 4.482 4.340 0.000 0.000 0.275 524 L C -1.501 175.354 176.870 -0.024 0.000 1.207 524 L CA -0.554 54.271 54.840 -0.024 0.000 0.855 524 L CB -0.447 41.609 42.059 -0.004 0.000 1.114 524 L HN 0.302 nan 8.230 nan 0.000 0.485 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 525 P CB 0.000 31.700 31.700 -0.000 0.000 0.726