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 1mnf_1_L 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 QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 0.899 123.718 122.820 -0.002 0.000 2.531 3 A HA 0.531 4.851 4.320 0.000 0.000 0.236 3 A C 0.219 177.803 177.584 0.001 0.000 1.062 3 A CA 0.374 52.414 52.037 0.005 0.000 0.760 3 A CB -0.095 18.910 19.000 0.009 0.000 0.995 3 A HN 0.610 nan 8.150 nan 0.000 0.501 4 K N 1.053 121.458 120.400 0.008 0.000 2.185 4 K HA 0.452 4.772 4.320 0.000 0.000 0.240 4 K C -1.185 175.436 176.600 0.034 0.000 0.983 4 K CA -0.693 55.597 56.287 0.004 0.000 0.873 4 K CB 1.433 33.933 32.500 0.000 0.000 1.118 4 K HN 0.722 nan 8.250 nan 0.000 0.441 5 D N 0.955 121.387 120.400 0.054 0.000 2.408 5 D HA 0.298 4.938 4.640 0.000 0.000 0.243 5 D C -1.304 175.130 176.300 0.224 0.000 1.075 5 D CA -0.591 53.498 54.000 0.148 0.000 0.832 5 D CB 1.177 42.104 40.800 0.212 0.000 1.162 5 D HN 0.054 nan 8.370 nan 0.000 0.515 6 V N 4.917 124.905 119.914 0.123 0.000 2.384 6 V HA 0.409 4.529 4.120 0.000 0.000 0.287 6 V C 0.388 176.378 176.094 -0.174 0.000 1.020 6 V CA -0.736 61.550 62.300 -0.023 0.000 0.850 6 V CB 1.476 33.241 31.823 -0.096 0.000 0.987 6 V HN 0.375 nan 8.190 nan 0.000 0.436 7 K N 3.616 123.808 120.400 -0.346 0.000 2.208 7 K HA 0.753 5.073 4.320 0.000 0.000 0.247 7 K C -1.413 174.852 176.600 -0.558 0.000 0.953 7 K CA -0.514 55.505 56.287 -0.446 0.000 0.837 7 K CB 2.296 34.326 32.500 -0.784 0.000 1.131 7 K HN 0.422 nan 8.250 nan 0.000 0.431 8 F N -0.828 119.056 119.950 -0.109 0.000 2.631 8 F HA 0.318 4.845 4.527 0.000 0.000 0.328 8 F C 1.420 177.182 175.800 -0.063 0.000 1.067 8 F CA -0.015 57.948 58.000 -0.061 0.000 0.969 8 F CB 1.142 40.119 39.000 -0.039 0.000 1.332 8 F HN 0.809 nan 8.300 nan 0.000 0.490 9 G N 1.367 110.294 108.800 0.212 0.000 2.738 9 G HA2 -0.486 3.474 3.960 0.000 0.000 0.391 9 G HA3 -0.486 3.474 3.960 0.000 0.000 0.391 9 G C 1.447 176.370 174.900 0.038 0.000 1.049 9 G CA 1.300 46.458 45.100 0.097 0.000 0.855 9 G HN 0.781 nan 8.290 nan 0.000 0.757 10 N N 0.875 119.590 118.700 0.024 0.000 2.104 10 N HA -0.141 4.599 4.740 0.000 0.000 0.190 10 N C 1.771 177.269 175.510 -0.021 0.000 1.024 10 N CA 2.159 55.210 53.050 0.001 0.000 0.853 10 N CB -0.381 38.106 38.487 0.000 0.000 1.008 10 N HN 0.518 nan 8.380 nan 0.000 0.424 11 D N 0.720 121.101 120.400 -0.032 0.000 2.097 11 D HA -0.098 4.542 4.640 0.000 0.000 0.195 11 D C 1.860 178.078 176.300 -0.138 0.000 0.989 11 D CA 1.251 55.200 54.000 -0.085 0.000 0.827 11 D CB -0.472 40.266 40.800 -0.104 0.000 0.966 11 D HN 0.399 nan 8.370 nan 0.000 0.456 12 A N 1.094 123.831 122.820 -0.138 0.000 1.902 12 A HA -0.194 4.126 4.320 0.000 0.000 0.217 12 A C 2.210 179.757 177.584 -0.061 0.000 1.181 12 A CA 1.309 53.254 52.037 -0.152 0.000 0.623 12 A CB -0.420 18.513 19.000 -0.112 0.000 0.818 12 A HN 0.117 nan 8.150 nan 0.000 0.443 13 R N -0.409 120.072 120.500 -0.031 0.000 2.073 13 R HA -0.130 4.210 4.340 0.000 0.000 0.234 13 R C 2.244 178.539 176.300 -0.008 0.000 1.134 13 R CA 1.795 57.890 56.100 -0.008 0.000 0.952 13 R CB -0.857 29.442 30.300 -0.000 0.000 0.850 13 R HN 0.605 nan 8.270 nan 0.000 0.433 14 V N 0.001 119.904 119.914 -0.018 0.000 2.392 14 V HA -0.217 3.903 4.120 0.000 0.000 0.249 14 V C 1.976 178.067 176.094 -0.004 0.000 1.059 14 V CA 1.543 63.836 62.300 -0.012 0.000 1.051 14 V CB -0.429 31.383 31.823 -0.017 0.000 0.658 14 V HN 0.111 nan 8.190 nan 0.000 0.455 15 K N 0.169 120.561 120.400 -0.013 0.000 2.002 15 K HA -0.059 4.261 4.320 0.000 0.000 0.209 15 K C 2.285 178.914 176.600 0.048 0.000 1.048 15 K CA 2.267 58.568 56.287 0.023 0.000 0.930 15 K CB -0.625 31.892 32.500 0.029 0.000 0.714 15 K HN 0.551 nan 8.250 nan 0.000 0.438 16 M N 0.410 120.036 119.600 0.043 0.000 2.080 16 M HA -0.207 4.273 4.480 0.000 0.000 0.260 16 M C 2.317 178.633 176.300 0.028 0.000 1.068 16 M CA 1.244 56.570 55.300 0.043 0.000 1.109 16 M CB -0.493 32.129 32.600 0.036 0.000 1.342 16 M HN 0.045 nan 8.290 nan 0.000 0.405 17 L N 0.657 121.892 121.223 0.019 0.000 2.013 17 L HA -0.237 4.103 4.340 0.000 0.000 0.212 17 L C 2.452 179.331 176.870 0.015 0.000 1.073 17 L CA 1.990 56.838 54.840 0.014 0.000 0.753 17 L CB -0.521 41.544 42.059 0.009 0.000 0.890 17 L HN 0.166 nan 8.230 nan 0.000 0.432 18 R N -0.717 119.793 120.500 0.016 0.000 2.081 18 R HA -0.109 4.231 4.340 0.000 0.000 0.235 18 R C 2.235 178.546 176.300 0.018 0.000 1.131 18 R CA 1.180 57.289 56.100 0.016 0.000 0.960 18 R CB -1.029 29.282 30.300 0.019 0.000 0.856 18 R HN 0.608 nan 8.270 nan 0.000 0.436 19 G N 0.798 109.613 108.800 0.025 0.000 2.459 19 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 19 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 19 G C 1.482 176.390 174.900 0.013 0.000 1.183 19 G CA 1.122 46.235 45.100 0.021 0.000 0.776 19 G HN 0.335 nan 8.290 nan 0.000 0.552 20 V N -0.247 119.675 119.914 0.014 0.000 2.759 20 V HA -0.072 4.048 4.120 0.000 0.000 0.256 20 V C 2.159 178.257 176.094 0.007 0.000 1.080 20 V CA 2.100 64.406 62.300 0.010 0.000 1.101 20 V CB -0.499 31.331 31.823 0.012 0.000 0.698 20 V HN 0.204 nan 8.190 nan 0.000 0.477 21 N N 0.971 119.676 118.700 0.008 0.000 2.142 21 N HA -0.078 4.662 4.740 0.000 0.000 0.186 21 N C 1.834 177.346 175.510 0.004 0.000 1.023 21 N CA 1.795 54.849 53.050 0.006 0.000 0.852 21 N CB -0.425 38.065 38.487 0.006 0.000 0.998 21 N HN 0.501 nan 8.380 nan 0.000 0.424 22 V N 1.697 121.613 119.914 0.004 0.000 2.295 22 V HA -0.188 3.932 4.120 0.000 0.000 0.246 22 V C 2.395 178.488 176.094 -0.001 0.000 1.049 22 V CA 1.080 63.381 62.300 0.002 0.000 1.024 22 V CB -0.555 31.269 31.823 0.002 0.000 0.648 22 V HN 0.189 nan 8.190 nan 0.000 0.447 23 L N 1.081 122.304 121.223 -0.001 0.000 1.955 23 L HA -0.108 4.232 4.340 0.000 0.000 0.213 23 L C 2.491 179.359 176.870 -0.003 0.000 1.072 23 L CA 2.655 57.493 54.840 -0.003 0.000 0.755 23 L CB -1.235 40.822 42.059 -0.003 0.000 0.888 23 L HN 0.207 nan 8.230 nan 0.000 0.432 24 A N -0.760 122.060 122.820 -0.000 0.000 1.883 24 A HA -0.259 4.061 4.320 0.000 0.000 0.217 24 A C 2.008 179.592 177.584 -0.000 0.000 1.186 24 A CA 2.056 54.093 52.037 0.001 0.000 0.624 24 A CB -1.101 17.901 19.000 0.003 0.000 0.822 24 A HN 0.623 nan 8.150 nan 0.000 0.444 25 D N -0.073 120.327 120.400 0.000 0.000 2.149 25 D HA -0.061 4.579 4.640 0.000 0.000 0.198 25 D C 2.172 178.471 176.300 -0.002 0.000 0.990 25 D CA 1.531 55.531 54.000 -0.000 0.000 0.839 25 D CB -0.383 40.417 40.800 -0.000 0.000 0.948 25 D HN 0.455 nan 8.370 nan 0.000 0.460 26 A N 0.203 123.022 122.820 -0.003 0.000 1.929 26 A HA -0.073 4.247 4.320 0.000 0.000 0.216 26 A C 2.472 180.052 177.584 -0.005 0.000 1.176 26 A CA 0.919 52.953 52.037 -0.005 0.000 0.628 26 A CB -0.485 18.511 19.000 -0.007 0.000 0.816 26 A HN 0.148 nan 8.150 nan 0.000 0.444 27 V N 1.179 121.090 119.914 -0.005 0.000 2.407 27 V HA -0.202 3.918 4.120 0.000 0.000 0.245 27 V C 2.481 178.572 176.094 -0.004 0.000 1.041 27 V CA 2.070 64.367 62.300 -0.006 0.000 1.040 27 V CB -0.576 31.243 31.823 -0.007 0.000 0.671 27 V HN 0.834 nan 8.190 nan 0.000 0.455 28 K N 1.475 121.874 120.400 -0.002 0.000 2.442 28 K HA -0.106 4.214 4.320 0.000 0.000 0.198 28 K C 1.729 178.329 176.600 -0.000 0.000 1.044 28 K CA 1.693 57.980 56.287 -0.000 0.000 0.948 28 K CB -0.646 31.855 32.500 0.001 0.000 0.762 28 K HN 0.497 nan 8.250 nan 0.000 0.472 29 V N -0.256 119.657 119.914 -0.001 0.000 3.078 29 V HA -0.137 3.983 4.120 0.000 0.000 0.265 29 V C 2.154 178.248 176.094 -0.001 0.000 1.122 29 V CA 1.682 63.981 62.300 -0.001 0.000 1.141 29 V CB -1.020 30.802 31.823 -0.002 0.000 0.735 29 V HN 0.549 nan 8.190 nan 0.000 0.498 30 T N -2.481 112.071 114.554 -0.002 0.000 3.065 30 T HA 0.233 4.583 4.350 0.000 0.000 0.252 30 T C 0.638 175.337 174.700 -0.002 0.000 1.099 30 T CA -0.124 61.974 62.100 -0.003 0.000 1.063 30 T CB -0.243 68.623 68.868 -0.004 0.000 0.948 30 T HN 0.336 nan 8.240 nan 0.000 0.506 31 L N 2.747 123.970 121.223 -0.000 0.000 2.540 31 L HA 0.472 4.812 4.340 0.000 0.000 0.276 31 L C 0.945 177.816 176.870 0.002 0.000 1.212 31 L CA 1.726 56.566 54.840 0.001 0.000 0.893 31 L CB -0.675 41.386 42.059 0.003 0.000 1.138 31 L HN 0.758 nan 8.230 nan 0.000 0.491 32 G N 4.290 113.090 108.800 0.001 0.000 2.746 32 G HA2 -0.144 3.817 3.960 0.000 0.000 0.685 32 G HA3 -0.144 3.817 3.960 0.000 0.000 0.685 32 G C -1.924 172.972 174.900 -0.006 0.000 1.350 32 G CA -0.305 44.795 45.100 -0.000 0.000 0.837 32 G HN 0.604 nan 8.290 nan 0.000 0.564 33 P HA 0.025 nan 4.420 nan 0.000 0.226 33 P C 0.834 178.126 177.300 -0.013 0.000 1.153 33 P CA 1.074 64.163 63.100 -0.019 0.000 0.777 33 P CB 0.167 31.846 31.700 -0.035 0.000 0.794 34 K N 0.223 120.620 120.400 -0.006 0.000 2.498 34 K HA 0.251 4.571 4.320 0.000 0.000 0.207 34 K C 1.080 177.680 176.600 0.001 0.000 1.033 34 K CA -0.240 56.046 56.287 -0.001 0.000 1.138 34 K CB 0.242 32.746 32.500 0.006 0.000 0.860 34 K HN 0.046 nan 8.250 nan 0.000 0.490 35 G N 1.766 110.565 108.800 -0.001 0.000 2.474 35 G HA2 -0.017 3.943 3.960 0.000 0.000 0.233 35 G HA3 -0.017 3.943 3.960 0.000 0.000 0.233 35 G C 0.160 175.059 174.900 -0.001 0.000 1.278 35 G CA -0.262 44.837 45.100 -0.001 0.000 0.861 35 G HN 0.078 nan 8.290 nan 0.000 0.567 36 R N 0.905 121.405 120.500 -0.001 0.000 2.553 36 R HA 0.222 4.562 4.340 0.000 0.000 0.263 36 R C 0.055 176.354 176.300 -0.003 0.000 1.066 36 R CA -0.775 55.324 56.100 -0.001 0.000 1.135 36 R CB 0.534 30.834 30.300 -0.001 0.000 1.148 36 R HN 0.652 nan 8.270 nan 0.000 0.558 37 N N -0.804 117.895 118.700 -0.003 0.000 2.524 37 N HA 0.288 5.028 4.740 0.000 0.000 0.283 37 N C -0.913 174.595 175.510 -0.004 0.000 1.142 37 N CA -0.378 52.670 53.050 -0.003 0.000 0.984 37 N CB 1.310 39.796 38.487 -0.003 0.000 1.155 37 N HN 0.080 nan 8.380 nan 0.000 0.467 38 V N 2.094 122.005 119.914 -0.005 0.000 2.555 38 V HA 0.349 4.469 4.120 0.000 0.000 0.302 38 V C -0.442 175.648 176.094 -0.007 0.000 1.038 38 V CA -0.766 61.531 62.300 -0.006 0.000 0.887 38 V CB 1.896 33.714 31.823 -0.007 0.000 0.991 38 V HN 0.323 nan 8.190 nan 0.000 0.434 39 V N 6.419 126.329 119.914 -0.008 0.000 2.350 39 V HA 0.449 4.569 4.120 0.000 0.000 0.276 39 V C -0.191 175.896 176.094 -0.011 0.000 1.028 39 V CA -0.412 61.883 62.300 -0.009 0.000 0.860 39 V CB 1.267 33.085 31.823 -0.008 0.000 0.990 39 V HN 0.594 nan 8.190 nan 0.000 0.453 40 L N 3.863 125.079 121.223 -0.012 0.000 2.287 40 L HA 0.514 4.854 4.340 0.000 0.000 0.287 40 L C 0.048 176.907 176.870 -0.019 0.000 1.022 40 L CA -0.519 54.311 54.840 -0.016 0.000 0.814 40 L CB 1.556 43.606 42.059 -0.015 0.000 1.217 40 L HN 0.530 nan 8.230 nan 0.000 0.420 41 D N 3.150 123.535 120.400 -0.025 0.000 2.357 41 D HA 0.253 4.893 4.640 0.000 0.000 0.242 41 D C -0.505 175.771 176.300 -0.040 0.000 1.153 41 D CA 0.249 54.229 54.000 -0.033 0.000 0.918 41 D CB 0.935 41.710 40.800 -0.042 0.000 1.181 41 D HN 0.338 nan 8.370 nan 0.000 0.435 42 K N -0.094 120.276 120.400 -0.050 0.000 2.426 42 K HA 0.229 4.549 4.320 0.000 0.000 0.251 42 K C 0.993 177.517 176.600 -0.127 0.000 0.941 42 K CA -0.578 55.675 56.287 -0.057 0.000 0.808 42 K CB 1.809 34.299 32.500 -0.016 0.000 1.265 42 K HN 0.414 nan 8.250 nan 0.000 0.432 43 S N 1.013 116.599 115.700 -0.191 0.000 2.382 43 S HA -0.051 4.419 4.470 0.000 0.000 0.228 43 S C 0.354 174.507 174.600 -0.746 0.000 1.027 43 S CA 0.879 58.795 58.200 -0.473 0.000 0.991 43 S CB -0.220 62.691 63.200 -0.482 0.000 0.823 43 S HN 0.406 nan 8.310 nan 0.000 0.469 44 F N 1.195 121.143 119.950 -0.004 0.000 2.562 44 F HA 0.699 5.226 4.527 0.000 0.000 0.319 44 F C 0.790 176.589 175.800 -0.003 0.000 1.154 44 F CA -0.012 57.986 58.000 -0.003 0.000 0.931 44 F CB 1.772 40.771 39.000 -0.003 0.000 1.198 44 F HN 0.472 nan 8.300 nan 0.000 0.444 45 G N 1.333 110.235 108.800 0.170 0.000 2.297 45 G HA2 0.442 4.402 3.960 0.000 0.000 0.209 45 G HA3 0.442 4.402 3.960 0.000 0.000 0.209 45 G C -1.670 173.261 174.900 0.051 0.000 1.267 45 G CA -0.398 44.760 45.100 0.097 0.000 1.127 45 G HN 1.046 nan 8.290 nan 0.000 0.498 46 A N 0.612 123.453 122.820 0.035 0.000 2.312 46 A HA 0.887 5.207 4.320 0.000 0.000 0.326 46 A C -1.926 175.665 177.584 0.011 0.000 1.172 46 A CA -0.898 51.150 52.037 0.019 0.000 0.821 46 A CB 0.458 19.468 19.000 0.017 0.000 1.166 46 A HN 0.644 nan 8.150 nan 0.000 0.493 47 P HA 0.165 nan 4.420 nan 0.000 0.269 47 P C -0.219 177.080 177.300 -0.001 0.000 1.211 47 P CA 0.269 63.367 63.100 -0.004 0.000 0.781 47 P CB 0.328 32.024 31.700 -0.007 0.000 0.877 48 T N 2.193 116.745 114.554 -0.004 0.000 2.799 48 T HA 0.467 4.817 4.350 0.000 0.000 0.286 48 T C 0.249 174.946 174.700 -0.004 0.000 0.973 48 T CA -0.210 61.889 62.100 -0.002 0.000 1.035 48 T CB 0.006 68.872 68.868 -0.003 0.000 0.932 48 T HN 0.177 nan 8.240 nan 0.000 0.469 49 I N 3.118 123.687 120.570 -0.002 0.000 2.328 49 I HA 0.412 4.582 4.170 0.000 0.000 0.287 49 I C 0.433 176.548 176.117 -0.003 0.000 1.012 49 I CA -0.379 60.919 61.300 -0.003 0.000 1.195 49 I CB 1.483 39.482 38.000 -0.002 0.000 1.350 49 I HN 0.505 nan 8.210 nan 0.000 0.464 50 T N 4.628 119.180 114.554 -0.004 0.000 2.896 50 T HA 0.408 4.758 4.350 0.000 0.000 0.297 50 T C 0.057 174.754 174.700 -0.005 0.000 1.108 50 T CA -0.585 61.512 62.100 -0.004 0.000 1.004 50 T CB 1.710 70.575 68.868 -0.005 0.000 1.159 50 T HN 0.613 nan 8.240 nan 0.000 0.499 51 K N 1.569 121.967 120.400 -0.005 0.000 2.478 51 K HA 0.187 4.507 4.320 0.000 0.000 0.205 51 K C -0.640 175.957 176.600 -0.005 0.000 1.033 51 K CA -0.228 56.056 56.287 -0.005 0.000 1.091 51 K CB 0.475 32.972 32.500 -0.004 0.000 0.844 51 K HN 0.443 nan 8.250 nan 0.000 0.507 52 D N 0.372 120.768 120.400 -0.006 0.000 2.441 52 D HA 0.103 4.743 4.640 0.000 0.000 0.221 52 D C 1.263 177.557 176.300 -0.010 0.000 1.156 52 D CA -0.162 53.833 54.000 -0.008 0.000 0.896 52 D CB 0.975 41.770 40.800 -0.008 0.000 1.028 52 D HN 0.222 nan 8.370 nan 0.000 0.509 53 G N 2.331 111.125 108.800 -0.010 0.000 2.503 53 G HA2 -0.281 3.679 3.960 0.000 0.000 0.221 53 G HA3 -0.281 3.679 3.960 0.000 0.000 0.221 53 G C 1.528 176.419 174.900 -0.016 0.000 1.131 53 G CA 0.890 45.983 45.100 -0.012 0.000 0.756 53 G HN 0.483 nan 8.290 nan 0.000 0.572 54 V N 0.764 120.667 119.914 -0.019 0.000 2.358 54 V HA -0.171 3.949 4.120 0.000 0.000 0.246 54 V C 3.085 179.166 176.094 -0.022 0.000 1.047 54 V CA 2.180 64.466 62.300 -0.024 0.000 1.035 54 V CB -0.435 31.371 31.823 -0.029 0.000 0.658 54 V HN 0.388 nan 8.190 nan 0.000 0.452 55 S N -0.074 115.616 115.700 -0.018 0.000 2.368 55 S HA -0.171 4.299 4.470 0.000 0.000 0.225 55 S C 2.021 176.611 174.600 -0.017 0.000 1.030 55 S CA 1.554 59.744 58.200 -0.016 0.000 0.999 55 S CB -0.228 62.964 63.200 -0.012 0.000 0.844 55 S HN 0.397 nan 8.310 nan 0.000 0.459 56 V N 2.157 122.062 119.914 -0.015 0.000 2.295 56 V HA -0.214 3.906 4.120 0.000 0.000 0.246 56 V C 2.695 178.778 176.094 -0.017 0.000 1.049 56 V CA 1.705 63.996 62.300 -0.015 0.000 1.024 56 V CB -1.341 30.475 31.823 -0.012 0.000 0.648 56 V HN 0.541 nan 8.190 nan 0.000 0.447 57 A N -0.153 122.656 122.820 -0.018 0.000 1.917 57 A HA -0.313 4.007 4.320 0.000 0.000 0.219 57 A C 2.425 179.995 177.584 -0.023 0.000 1.182 57 A CA 2.309 54.333 52.037 -0.020 0.000 0.633 57 A CB -0.674 18.312 19.000 -0.023 0.000 0.819 57 A HN 0.468 nan 8.150 nan 0.000 0.448 58 R N -0.608 119.877 120.500 -0.025 0.000 2.105 58 R HA -0.142 4.198 4.340 0.000 0.000 0.239 58 R C 1.402 177.686 176.300 -0.026 0.000 1.135 58 R CA 1.533 57.617 56.100 -0.027 0.000 0.967 58 R CB -0.121 30.163 30.300 -0.027 0.000 0.861 58 R HN 0.479 nan 8.270 nan 0.000 0.442 59 E N 0.217 120.404 120.200 -0.023 0.000 2.427 59 E HA -0.020 4.330 4.350 0.000 0.000 0.196 59 E C 0.238 176.824 176.600 -0.023 0.000 1.028 59 E CA 0.213 56.599 56.400 -0.023 0.000 0.864 59 E CB 0.176 29.863 29.700 -0.022 0.000 0.813 59 E HN 0.233 nan 8.360 nan 0.000 0.514 60 I N 2.008 122.565 120.570 -0.021 0.000 2.436 60 I HA 0.133 4.303 4.170 0.000 0.000 0.289 60 I C 0.343 176.448 176.117 -0.020 0.000 1.083 60 I CA 0.202 61.491 61.300 -0.019 0.000 1.372 60 I CB 0.067 38.057 38.000 -0.016 0.000 1.408 60 I HN -0.069 nan 8.210 nan 0.000 0.516 61 E N 6.981 127.169 120.200 -0.020 0.000 2.291 61 E HA 0.473 4.823 4.350 0.000 0.000 0.276 61 E C -1.609 174.979 176.600 -0.020 0.000 0.896 61 E CA -0.577 55.810 56.400 -0.023 0.000 0.774 61 E CB 1.970 31.654 29.700 -0.026 0.000 1.227 61 E HN 0.437 nan 8.360 nan 0.000 0.413 62 L N 3.300 124.513 121.223 -0.018 0.000 2.344 62 L HA 0.369 4.709 4.340 0.000 0.000 0.272 62 L C 1.535 178.395 176.870 -0.017 0.000 1.035 62 L CA -0.391 54.441 54.840 -0.013 0.000 0.807 62 L CB 1.425 43.482 42.059 -0.003 0.000 1.237 62 L HN 0.747 nan 8.230 nan 0.000 0.442 63 E N 0.793 120.986 120.200 -0.011 0.000 2.072 63 E HA -0.176 4.174 4.350 0.000 0.000 0.191 63 E C 0.527 177.120 176.600 -0.011 0.000 0.985 63 E CA 0.588 56.980 56.400 -0.013 0.000 0.801 63 E CB 0.263 29.959 29.700 -0.007 0.000 0.750 63 E HN 0.643 nan 8.360 nan 0.000 0.452 64 D N 0.740 121.144 120.400 0.007 0.000 2.346 64 D HA -0.050 4.590 4.640 0.000 0.000 0.260 64 D C 0.624 176.921 176.300 -0.005 0.000 1.252 64 D CA 0.033 54.050 54.000 0.028 0.000 0.895 64 D CB 0.889 41.732 40.800 0.071 0.000 1.097 64 D HN 0.071 nan 8.370 nan 0.000 0.489 65 K N 3.445 123.794 120.400 -0.086 0.000 2.127 65 K HA -0.193 4.127 4.320 0.000 0.000 0.208 65 K C 1.850 178.293 176.600 -0.262 0.000 1.047 65 K CA 1.258 57.409 56.287 -0.226 0.000 0.927 65 K CB -0.280 31.991 32.500 -0.382 0.000 0.716 65 K HN 0.481 nan 8.250 nan 0.000 0.450 66 F N 1.695 121.630 119.950 -0.025 0.000 2.128 66 F HA -0.065 4.462 4.527 0.000 0.000 0.295 66 F C 2.429 178.216 175.800 -0.022 0.000 1.100 66 F CA 1.075 59.059 58.000 -0.028 0.000 1.260 66 F CB -0.458 38.524 39.000 -0.030 0.000 1.009 66 F HN 0.092 nan 8.300 nan 0.000 0.476 67 E N -0.106 120.193 120.200 0.166 0.000 2.110 67 E HA -0.247 4.103 4.350 0.000 0.000 0.193 67 E C 1.795 178.419 176.600 0.041 0.000 0.988 67 E CA 1.248 57.700 56.400 0.087 0.000 0.804 67 E CB -0.332 29.407 29.700 0.065 0.000 0.745 67 E HN 0.317 nan 8.360 nan 0.000 0.458 68 N N 0.612 119.320 118.700 0.013 0.000 2.142 68 N HA -0.124 4.616 4.740 0.000 0.000 0.186 68 N C 1.727 177.227 175.510 -0.016 0.000 1.023 68 N CA 1.130 54.171 53.050 -0.014 0.000 0.852 68 N CB 0.022 38.484 38.487 -0.040 0.000 0.998 68 N HN 0.049 nan 8.380 nan 0.000 0.424 69 M N -0.689 118.899 119.600 -0.021 0.000 2.213 69 M HA -0.034 4.446 4.480 0.000 0.000 0.263 69 M C 2.085 178.390 176.300 0.009 0.000 1.062 69 M CA 1.580 56.870 55.300 -0.015 0.000 1.105 69 M CB -0.443 32.147 32.600 -0.017 0.000 1.385 69 M HN 0.307 nan 8.290 nan 0.000 0.417 70 G N -0.118 108.698 108.800 0.028 0.000 2.433 70 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 70 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 70 G C 1.621 176.529 174.900 0.014 0.000 1.186 70 G CA 0.987 46.104 45.100 0.027 0.000 0.779 70 G HN 0.539 nan 8.290 nan 0.000 0.543 71 A N 0.055 122.880 122.820 0.008 0.000 1.877 71 A HA -0.084 4.236 4.320 0.000 0.000 0.216 71 A C 2.410 179.990 177.584 -0.007 0.000 1.186 71 A CA 2.056 54.093 52.037 0.000 0.000 0.620 71 A CB -0.437 18.561 19.000 -0.003 0.000 0.822 71 A HN 0.305 nan 8.150 nan 0.000 0.443 72 Q N -0.508 119.285 119.800 -0.011 0.000 2.181 72 Q HA -0.144 4.196 4.340 0.000 0.000 0.205 72 Q C 2.123 178.115 176.000 -0.013 0.000 0.980 72 Q CA 1.623 57.416 55.803 -0.017 0.000 0.862 72 Q CB -0.582 28.142 28.738 -0.023 0.000 0.905 72 Q HN 0.797 nan 8.270 nan 0.000 0.429 73 M N -0.302 119.295 119.600 -0.005 0.000 2.077 73 M HA -0.124 4.356 4.480 0.000 0.000 0.261 73 M C 2.305 178.607 176.300 0.002 0.000 1.070 73 M CA 1.503 56.803 55.300 0.000 0.000 1.125 73 M CB -0.520 32.086 32.600 0.009 0.000 1.339 73 M HN 0.172 nan 8.290 nan 0.000 0.409 74 V N -0.228 119.689 119.914 0.004 0.000 2.548 74 V HA -0.202 3.918 4.120 0.000 0.000 0.249 74 V C 2.108 178.197 176.094 -0.009 0.000 1.055 74 V CA 1.869 64.172 62.300 0.006 0.000 1.065 74 V CB -0.652 31.178 31.823 0.011 0.000 0.681 74 V HN 0.464 nan 8.190 nan 0.000 0.462 75 K N -0.553 119.838 120.400 -0.014 0.000 2.103 75 K HA -0.216 4.104 4.320 0.000 0.000 0.207 75 K C 2.324 178.899 176.600 -0.041 0.000 1.048 75 K CA 1.919 58.190 56.287 -0.026 0.000 0.930 75 K CB -0.143 32.342 32.500 -0.024 0.000 0.716 75 K HN 0.559 nan 8.250 nan 0.000 0.444 76 E N 0.157 120.335 120.200 -0.037 0.000 2.015 76 E HA -0.145 4.205 4.350 0.000 0.000 0.191 76 E C 2.070 178.621 176.600 -0.082 0.000 0.991 76 E CA 1.601 57.970 56.400 -0.051 0.000 0.802 76 E CB -0.174 29.506 29.700 -0.033 0.000 0.759 76 E HN 0.308 nan 8.360 nan 0.000 0.447 77 V N -0.817 119.063 119.914 -0.057 0.000 2.667 77 V HA -0.011 4.109 4.120 0.000 0.000 0.252 77 V C 2.258 178.245 176.094 -0.178 0.000 1.065 77 V CA 1.671 63.919 62.300 -0.087 0.000 1.083 77 V CB -0.702 31.160 31.823 0.066 0.000 0.692 77 V HN 0.172 nan 8.190 nan 0.000 0.468 78 A N 1.830 124.595 122.820 -0.090 0.000 1.902 78 A HA -0.169 4.151 4.320 0.000 0.000 0.217 78 A C 2.632 180.123 177.584 -0.156 0.000 1.181 78 A CA 2.562 54.549 52.037 -0.084 0.000 0.623 78 A CB -1.123 17.854 19.000 -0.038 0.000 0.818 78 A HN 1.006 nan 8.150 nan 0.000 0.443 79 S N -0.102 115.506 115.700 -0.152 0.000 2.419 79 S HA -0.168 4.302 4.470 0.000 0.000 0.233 79 S C 1.771 176.225 174.600 -0.244 0.000 1.016 79 S CA 1.441 59.547 58.200 -0.156 0.000 0.974 79 S CB -0.412 62.720 63.200 -0.114 0.000 0.786 79 S HN 0.593 nan 8.310 nan 0.000 0.492 80 K N 1.352 121.515 120.400 -0.395 0.000 2.152 80 K HA 0.002 4.322 4.320 0.000 0.000 0.206 80 K C 2.485 178.689 176.600 -0.659 0.000 1.048 80 K CA 1.146 57.072 56.287 -0.602 0.000 0.933 80 K CB -0.544 31.357 32.500 -0.998 0.000 0.721 80 K HN 0.549 nan 8.250 nan 0.000 0.447 81 A N 1.818 124.287 122.820 -0.586 0.000 1.858 81 A HA -0.229 4.091 4.320 0.000 0.000 0.216 81 A C 1.914 179.438 177.584 -0.100 0.000 1.190 81 A CA 1.915 53.839 52.037 -0.189 0.000 0.617 81 A CB -0.762 18.227 19.000 -0.018 0.000 0.827 81 A HN 0.276 nan 8.150 nan 0.000 0.443 82 N N 0.102 118.731 118.700 -0.119 0.000 2.137 82 N HA -0.157 4.583 4.740 0.000 0.000 0.190 82 N C 1.154 176.592 175.510 -0.119 0.000 1.017 82 N CA 1.694 54.683 53.050 -0.101 0.000 0.859 82 N CB -0.194 38.232 38.487 -0.101 0.000 1.002 82 N HN 0.454 nan 8.380 nan 0.000 0.428 83 D N -0.431 119.890 120.400 -0.132 0.000 2.117 83 D HA -0.058 4.582 4.640 0.000 0.000 0.198 83 D C 1.734 177.989 176.300 -0.075 0.000 0.982 83 D CA 1.171 55.102 54.000 -0.116 0.000 0.828 83 D CB -0.425 40.303 40.800 -0.119 0.000 0.967 83 D HN 0.349 nan 8.370 nan 0.000 0.464 84 A N 0.258 123.053 122.820 -0.042 0.000 1.968 84 A HA 0.220 4.540 4.320 0.000 0.000 0.217 84 A C 1.928 179.527 177.584 0.025 0.000 1.169 84 A CA 1.761 53.815 52.037 0.028 0.000 0.638 84 A CB 0.027 19.108 19.000 0.135 0.000 0.812 84 A HN 0.225 nan 8.150 nan 0.000 0.446 85 A N -2.867 119.956 122.820 0.006 0.000 2.628 85 A HA 0.479 4.799 4.320 0.000 0.000 0.267 85 A C 1.478 179.049 177.584 -0.022 0.000 1.159 85 A CA 0.928 52.971 52.037 0.011 0.000 0.972 85 A CB -0.367 18.653 19.000 0.033 0.000 1.211 85 A HN 1.828 nan 8.150 nan 0.000 0.576 86 G N -0.492 108.253 108.800 -0.091 0.000 2.155 86 G HA2 -0.179 3.781 3.960 0.000 0.000 0.257 86 G HA3 -0.179 3.781 3.960 0.000 0.000 0.257 86 G C -0.152 174.693 174.900 -0.092 0.000 0.983 86 G CA 0.773 45.770 45.100 -0.173 0.000 0.676 86 G HN 0.922 nan 8.290 nan 0.000 0.528 87 D N -3.152 117.217 120.400 -0.051 0.000 2.755 87 D HA 0.561 5.201 4.640 0.000 0.000 0.277 87 D C 0.838 177.130 176.300 -0.012 0.000 1.261 87 D CA 1.411 55.394 54.000 -0.028 0.000 0.759 87 D CB 0.306 41.102 40.800 -0.007 0.000 1.279 87 D HN 1.372 nan 8.370 nan 0.000 0.420 88 G N -0.192 108.604 108.800 -0.007 0.000 2.179 88 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 88 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 88 G C 1.045 175.946 174.900 0.001 0.000 0.990 88 G CA 1.428 46.531 45.100 0.006 0.000 0.646 88 G HN 0.964 nan 8.290 nan 0.000 0.517 89 T N -1.559 112.984 114.554 -0.019 0.000 2.684 89 T HA -0.124 4.226 4.350 0.000 0.000 0.267 89 T C 2.227 176.919 174.700 -0.013 0.000 1.036 89 T CA 2.628 64.712 62.100 -0.027 0.000 1.148 89 T CB -0.886 67.956 68.868 -0.045 0.000 0.863 89 T HN 0.319 nan 8.240 nan 0.000 0.436 90 T N 1.908 116.456 114.554 -0.011 0.000 2.684 90 T HA -0.126 4.224 4.350 0.000 0.000 0.267 90 T C 2.279 176.981 174.700 0.003 0.000 1.036 90 T CA 1.956 64.053 62.100 -0.005 0.000 1.148 90 T CB -1.090 67.775 68.868 -0.005 0.000 0.863 90 T HN 0.522 nan 8.240 nan 0.000 0.436 91 T N 2.005 116.564 114.554 0.007 0.000 2.684 91 T HA -0.101 4.249 4.350 0.000 0.000 0.267 91 T C 2.377 177.089 174.700 0.020 0.000 1.036 91 T CA 1.325 63.433 62.100 0.014 0.000 1.148 91 T CB -0.653 68.225 68.868 0.017 0.000 0.863 91 T HN 0.449 nan 8.240 nan 0.000 0.436 92 A N 1.121 123.957 122.820 0.027 0.000 1.908 92 A HA -0.164 4.156 4.320 0.000 0.000 0.218 92 A C 2.557 180.159 177.584 0.030 0.000 1.181 92 A CA 2.250 54.311 52.037 0.041 0.000 0.627 92 A CB -1.271 17.762 19.000 0.055 0.000 0.818 92 A HN 0.496 nan 8.150 nan 0.000 0.445 93 T N -0.342 114.221 114.554 0.015 0.000 2.708 93 T HA -0.129 4.221 4.350 0.000 0.000 0.266 93 T C 2.016 176.723 174.700 0.011 0.000 1.037 93 T CA 1.989 64.095 62.100 0.010 0.000 1.146 93 T CB -0.699 68.169 68.868 0.001 0.000 0.865 93 T HN 0.696 nan 8.240 nan 0.000 0.435 94 V N 0.426 120.346 119.914 0.010 0.000 2.548 94 V HA 0.022 4.142 4.120 0.000 0.000 0.249 94 V C 2.192 178.293 176.094 0.012 0.000 1.055 94 V CA 1.324 63.629 62.300 0.009 0.000 1.065 94 V CB -0.993 30.835 31.823 0.008 0.000 0.681 94 V HN 0.451 nan 8.190 nan 0.000 0.462 95 L N 0.561 121.794 121.223 0.017 0.000 2.093 95 L HA -0.020 4.320 4.340 0.000 0.000 0.208 95 L C 3.040 179.922 176.870 0.019 0.000 1.085 95 L CA 1.613 56.464 54.840 0.019 0.000 0.755 95 L CB -0.844 41.229 42.059 0.024 0.000 0.904 95 L HN 0.462 nan 8.230 nan 0.000 0.435 96 A N -0.488 122.346 122.820 0.022 0.000 1.898 96 A HA -0.275 4.045 4.320 0.000 0.000 0.216 96 A C 2.255 179.849 177.584 0.017 0.000 1.181 96 A CA 1.745 53.795 52.037 0.023 0.000 0.620 96 A CB -0.546 18.469 19.000 0.026 0.000 0.819 96 A HN 0.493 nan 8.150 nan 0.000 0.442 97 Q N -0.432 119.376 119.800 0.014 0.000 2.084 97 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 97 Q C 2.145 178.151 176.000 0.010 0.000 0.978 97 Q CA 1.641 57.450 55.803 0.011 0.000 0.844 97 Q CB -0.346 28.397 28.738 0.008 0.000 0.898 97 Q HN 0.589 nan 8.270 nan 0.000 0.426 98 A N 0.999 123.825 122.820 0.010 0.000 1.858 98 A HA -0.158 4.162 4.320 0.000 0.000 0.216 98 A C 2.016 179.605 177.584 0.009 0.000 1.190 98 A CA 1.458 53.500 52.037 0.009 0.000 0.617 98 A CB -0.720 18.285 19.000 0.009 0.000 0.827 98 A HN 0.483 nan 8.150 nan 0.000 0.443 99 I N -0.264 120.313 120.570 0.011 0.000 2.179 99 I HA -0.272 3.898 4.170 0.000 0.000 0.242 99 I C 2.371 178.494 176.117 0.010 0.000 1.088 99 I CA 1.470 62.776 61.300 0.011 0.000 1.357 99 I CB -0.484 37.523 38.000 0.012 0.000 1.051 99 I HN 0.299 nan 8.210 nan 0.000 0.409 100 I N 0.456 121.033 120.570 0.012 0.000 2.163 100 I HA -0.284 3.886 4.170 0.000 0.000 0.243 100 I C 2.638 178.761 176.117 0.010 0.000 1.085 100 I CA 1.627 62.934 61.300 0.012 0.000 1.347 100 I CB -0.663 37.345 38.000 0.013 0.000 1.044 100 I HN 0.264 nan 8.210 nan 0.000 0.408 101 T N 0.282 114.841 114.554 0.009 0.000 2.652 101 T HA -0.183 4.167 4.350 0.000 0.000 0.267 101 T C 1.842 176.545 174.700 0.006 0.000 1.039 101 T CA 1.429 63.533 62.100 0.007 0.000 1.153 101 T CB -0.165 68.706 68.868 0.006 0.000 0.863 101 T HN 0.291 nan 8.240 nan 0.000 0.428 102 E N 0.498 120.701 120.200 0.006 0.000 2.072 102 E HA 0.020 4.370 4.350 0.000 0.000 0.190 102 E C 2.576 179.179 176.600 0.005 0.000 0.982 102 E CA 0.972 57.375 56.400 0.005 0.000 0.803 102 E CB -0.896 28.807 29.700 0.005 0.000 0.755 102 E HN 0.553 nan 8.360 nan 0.000 0.453 103 G N 1.467 110.271 108.800 0.006 0.000 2.440 103 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 103 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 103 G C 1.724 176.628 174.900 0.007 0.000 1.154 103 G CA 0.599 45.703 45.100 0.007 0.000 0.767 103 G HN 0.185 nan 8.290 nan 0.000 0.552 104 L N -0.315 120.912 121.223 0.007 0.000 2.141 104 L HA -0.004 4.336 4.340 0.000 0.000 0.209 104 L C 2.946 179.819 176.870 0.005 0.000 1.094 104 L CA 0.960 55.804 54.840 0.007 0.000 0.763 104 L CB -0.274 41.789 42.059 0.007 0.000 0.908 104 L HN 0.189 nan 8.230 nan 0.000 0.437 105 K N 0.182 120.585 120.400 0.004 0.000 2.026 105 K HA -0.161 4.159 4.320 0.000 0.000 0.208 105 K C 2.253 178.855 176.600 0.003 0.000 1.048 105 K CA 1.425 57.714 56.287 0.003 0.000 0.929 105 K CB -0.234 32.267 32.500 0.003 0.000 0.713 105 K HN 0.268 nan 8.250 nan 0.000 0.439 106 A N 0.933 123.755 122.820 0.003 0.000 1.940 106 A HA -0.146 4.174 4.320 0.000 0.000 0.219 106 A C 2.323 179.909 177.584 0.004 0.000 1.176 106 A CA 1.555 53.594 52.037 0.003 0.000 0.631 106 A CB -0.661 18.341 19.000 0.004 0.000 0.814 106 A HN 0.094 nan 8.150 nan 0.000 0.446 107 V N -0.276 119.641 119.914 0.005 0.000 2.295 107 V HA -0.237 3.883 4.120 0.000 0.000 0.246 107 V C 3.034 179.130 176.094 0.004 0.000 1.049 107 V CA 1.946 64.249 62.300 0.005 0.000 1.024 107 V CB -1.223 30.605 31.823 0.008 0.000 0.648 107 V HN 0.610 nan 8.190 nan 0.000 0.447 108 A N -0.101 122.720 122.820 0.003 0.000 2.019 108 A HA -0.018 4.302 4.320 0.000 0.000 0.219 108 A C 2.217 179.802 177.584 0.001 0.000 1.164 108 A CA 1.668 53.706 52.037 0.002 0.000 0.644 108 A CB -0.563 18.437 19.000 0.001 0.000 0.805 108 A HN 0.596 nan 8.150 nan 0.000 0.449 109 A N -1.794 121.027 122.820 0.001 0.000 2.235 109 A HA 0.398 4.718 4.320 0.000 0.000 0.208 109 A C 1.746 179.330 177.584 0.000 0.000 1.172 109 A CA 1.226 53.264 52.037 0.000 0.000 0.786 109 A CB -0.870 18.130 19.000 0.001 0.000 0.804 109 A HN 1.841 nan 8.150 nan 0.000 0.479 110 G N -1.868 106.932 108.800 0.001 0.000 2.157 110 G HA2 -0.222 3.738 3.960 0.000 0.000 0.239 110 G HA3 -0.222 3.738 3.960 0.000 0.000 0.239 110 G C 0.160 175.061 174.900 0.001 0.000 0.982 110 G CA 0.220 45.321 45.100 0.001 0.000 0.650 110 G HN 0.376 nan 8.290 nan 0.000 0.527 111 M N 0.555 120.156 119.600 0.002 0.000 2.241 111 M HA 0.239 4.719 4.480 0.000 0.000 0.335 111 M C 0.710 177.013 176.300 0.004 0.000 1.122 111 M CA -0.557 54.745 55.300 0.003 0.000 1.164 111 M CB 0.426 33.028 32.600 0.003 0.000 1.459 111 M HN 0.127 nan 8.290 nan 0.000 0.461 112 N N 2.796 121.498 118.700 0.003 0.000 2.427 112 N HA 0.064 4.804 4.740 0.000 0.000 0.269 112 N C -2.050 173.463 175.510 0.006 0.000 1.235 112 N CA -1.179 51.874 53.050 0.005 0.000 0.934 112 N CB 0.950 39.440 38.487 0.004 0.000 1.121 112 N HN 0.296 nan 8.380 nan 0.000 0.480 113 P HA -0.165 nan 4.420 nan 0.000 0.215 113 P C 1.676 178.981 177.300 0.008 0.000 1.157 113 P CA 1.463 64.569 63.100 0.009 0.000 0.874 113 P CB 0.201 31.909 31.700 0.013 0.000 0.790 114 M N -0.843 118.762 119.600 0.008 0.000 2.117 114 M HA -0.144 4.336 4.480 0.000 0.000 0.262 114 M C 1.566 177.869 176.300 0.005 0.000 1.065 114 M CA 1.698 57.002 55.300 0.007 0.000 1.114 114 M CB -1.822 30.782 32.600 0.007 0.000 1.361 114 M HN -0.002 nan 8.290 nan 0.000 0.408 115 D N 0.410 120.812 120.400 0.004 0.000 2.144 115 D HA -0.034 4.606 4.640 0.000 0.000 0.200 115 D C 2.340 178.642 176.300 0.003 0.000 0.978 115 D CA 0.876 54.877 54.000 0.003 0.000 0.833 115 D CB -0.088 40.714 40.800 0.003 0.000 0.961 115 D HN 0.330 nan 8.370 nan 0.000 0.470 116 L N 0.747 121.972 121.223 0.004 0.000 2.042 116 L HA -0.188 4.152 4.340 0.000 0.000 0.210 116 L C 2.533 179.406 176.870 0.004 0.000 1.076 116 L CA 1.177 56.020 54.840 0.004 0.000 0.749 116 L CB -0.303 41.759 42.059 0.005 0.000 0.893 116 L HN -0.021 nan 8.230 nan 0.000 0.432 117 K N 0.251 120.654 120.400 0.005 0.000 2.057 117 K HA -0.209 4.111 4.320 0.000 0.000 0.206 117 K C 2.320 178.921 176.600 0.001 0.000 1.050 117 K CA 1.175 57.464 56.287 0.004 0.000 0.935 117 K CB -0.006 32.498 32.500 0.005 0.000 0.715 117 K HN 0.066 nan 8.250 nan 0.000 0.439 118 R N -0.280 120.221 120.500 0.001 0.000 2.091 118 R HA -0.105 4.235 4.340 0.000 0.000 0.238 118 R C 2.305 178.604 176.300 -0.001 0.000 1.136 118 R CA 1.748 57.848 56.100 -0.001 0.000 0.959 118 R CB -0.535 29.765 30.300 0.000 0.000 0.856 118 R HN 0.421 nan 8.270 nan 0.000 0.437 119 G N 0.703 109.503 108.800 0.000 0.000 2.418 119 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 119 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 119 G C 1.439 176.338 174.900 -0.000 0.000 1.158 119 G CA 0.802 45.902 45.100 0.000 0.000 0.771 119 G HN 0.243 nan 8.290 nan 0.000 0.545 120 I N 1.095 121.665 120.570 0.000 0.000 2.163 120 I HA -0.172 3.998 4.170 0.000 0.000 0.243 120 I C 2.346 178.460 176.117 -0.004 0.000 1.085 120 I CA 1.370 62.670 61.300 -0.000 0.000 1.347 120 I CB -0.215 37.785 38.000 0.001 0.000 1.044 120 I HN 0.068 nan 8.210 nan 0.000 0.408 121 D N 0.769 121.166 120.400 -0.006 0.000 2.117 121 D HA -0.222 4.418 4.640 0.000 0.000 0.197 121 D C 2.059 178.352 176.300 -0.010 0.000 0.987 121 D CA 1.263 55.257 54.000 -0.011 0.000 0.829 121 D CB -0.260 40.533 40.800 -0.011 0.000 0.961 121 D HN 0.296 nan 8.370 nan 0.000 0.460 122 K N 0.706 121.102 120.400 -0.007 0.000 2.057 122 K HA -0.102 4.218 4.320 0.000 0.000 0.207 122 K C 2.029 178.626 176.600 -0.005 0.000 1.049 122 K CA 1.345 57.629 56.287 -0.006 0.000 0.931 122 K CB -0.059 32.438 32.500 -0.003 0.000 0.714 122 K HN 0.026 nan 8.250 nan 0.000 0.440 123 A N 0.513 123.330 122.820 -0.004 0.000 1.933 123 A HA -0.100 4.220 4.320 0.000 0.000 0.218 123 A C 2.204 179.785 177.584 -0.004 0.000 1.175 123 A CA 1.612 53.648 52.037 -0.002 0.000 0.628 123 A CB -0.539 18.461 19.000 0.000 0.000 0.814 123 A HN 0.185 nan 8.150 nan 0.000 0.444 124 V N -0.425 119.484 119.914 -0.008 0.000 2.358 124 V HA -0.206 3.914 4.120 0.000 0.000 0.246 124 V C 2.724 178.809 176.094 -0.015 0.000 1.047 124 V CA 2.404 64.697 62.300 -0.012 0.000 1.035 124 V CB -1.287 30.524 31.823 -0.019 0.000 0.658 124 V HN 0.591 nan 8.190 nan 0.000 0.452 125 T N 0.601 115.146 114.554 -0.016 0.000 2.684 125 T HA -0.197 4.153 4.350 0.000 0.000 0.267 125 T C 2.103 176.797 174.700 -0.010 0.000 1.036 125 T CA 1.763 63.853 62.100 -0.016 0.000 1.148 125 T CB -0.494 68.365 68.868 -0.014 0.000 0.863 125 T HN 0.569 nan 8.240 nan 0.000 0.436 126 A N 1.600 124.417 122.820 -0.006 0.000 1.883 126 A HA 0.050 4.370 4.320 0.000 0.000 0.217 126 A C 2.677 180.261 177.584 -0.001 0.000 1.186 126 A CA 2.089 54.125 52.037 -0.002 0.000 0.624 126 A CB -1.252 17.747 19.000 -0.000 0.000 0.822 126 A HN 0.526 nan 8.150 nan 0.000 0.444 127 A N -0.735 122.085 122.820 -0.001 0.000 1.940 127 A HA -0.030 4.290 4.320 0.000 0.000 0.219 127 A C 2.222 179.806 177.584 0.000 0.000 1.176 127 A CA 1.870 53.908 52.037 0.001 0.000 0.631 127 A CB -0.934 18.067 19.000 0.002 0.000 0.814 127 A HN 0.438 nan 8.150 nan 0.000 0.446 128 V N 0.113 120.024 119.914 -0.005 0.000 2.427 128 V HA -0.187 3.933 4.120 0.000 0.000 0.248 128 V C 2.562 178.654 176.094 -0.002 0.000 1.051 128 V CA 2.033 64.329 62.300 -0.007 0.000 1.048 128 V CB -0.631 31.183 31.823 -0.016 0.000 0.666 128 V HN 0.500 nan 8.190 nan 0.000 0.456 129 E N -0.063 120.136 120.200 -0.002 0.000 2.047 129 E HA -0.210 4.140 4.350 0.000 0.000 0.191 129 E C 2.233 178.836 176.600 0.004 0.000 0.987 129 E CA 1.069 57.469 56.400 0.001 0.000 0.799 129 E CB -0.216 29.485 29.700 0.000 0.000 0.752 129 E HN 0.553 nan 8.360 nan 0.000 0.449 130 E N 0.530 120.734 120.200 0.006 0.000 2.204 130 E HA -0.134 4.216 4.350 0.000 0.000 0.195 130 E C 1.858 178.465 176.600 0.012 0.000 0.990 130 E CA 0.304 56.709 56.400 0.009 0.000 0.821 130 E CB -0.167 29.539 29.700 0.010 0.000 0.750 130 E HN 0.048 nan 8.360 nan 0.000 0.477 131 L N 0.486 121.714 121.223 0.010 0.000 2.072 131 L HA -0.056 4.284 4.340 0.000 0.000 0.205 131 L C 1.835 178.712 176.870 0.011 0.000 1.079 131 L CA 1.707 56.554 54.840 0.011 0.000 0.752 131 L CB -0.272 41.792 42.059 0.009 0.000 0.906 131 L HN -0.012 nan 8.230 nan 0.000 0.436 132 K N -0.999 119.406 120.400 0.009 0.000 2.057 132 K HA -0.125 4.195 4.320 0.000 0.000 0.207 132 K C 2.085 178.692 176.600 0.011 0.000 1.049 132 K CA 1.292 57.585 56.287 0.009 0.000 0.931 132 K CB -0.327 32.177 32.500 0.007 0.000 0.714 132 K HN 0.383 nan 8.250 nan 0.000 0.440 133 A N 1.462 124.288 122.820 0.011 0.000 1.877 133 A HA -0.156 4.164 4.320 0.000 0.000 0.216 133 A C 2.082 179.675 177.584 0.015 0.000 1.186 133 A CA 1.201 53.245 52.037 0.012 0.000 0.620 133 A CB -0.672 18.335 19.000 0.012 0.000 0.822 133 A HN 0.234 nan 8.150 nan 0.000 0.443 134 L N -0.070 121.163 121.223 0.017 0.000 2.191 134 L HA -0.068 4.272 4.340 0.000 0.000 0.212 134 L C 1.393 178.275 176.870 0.020 0.000 1.103 134 L CA 0.584 55.437 54.840 0.021 0.000 0.769 134 L CB -0.293 41.780 42.059 0.024 0.000 0.908 134 L HN 0.420 nan 8.230 nan 0.000 0.438 135 S N -0.519 115.192 115.700 0.017 0.000 2.552 135 S HA 0.086 4.556 4.470 0.000 0.000 0.289 135 S C -0.198 174.412 174.600 0.016 0.000 1.304 135 S CA -0.461 57.749 58.200 0.016 0.000 1.063 135 S CB 0.652 63.860 63.200 0.014 0.000 0.848 135 S HN 0.030 nan 8.310 nan 0.000 0.499 136 V N 8.280 128.204 119.914 0.016 0.000 2.398 136 V HA 0.388 4.508 4.120 0.000 0.000 0.286 136 V C -2.042 174.059 176.094 0.013 0.000 1.026 136 V CA -1.843 60.466 62.300 0.015 0.000 0.868 136 V CB 1.306 33.138 31.823 0.015 0.000 0.982 136 V HN 0.764 nan 8.190 nan 0.000 0.443 137 P HA 0.149 nan 4.420 nan 0.000 0.270 137 P C -0.557 176.749 177.300 0.010 0.000 1.223 137 P CA -0.203 62.904 63.100 0.011 0.000 0.785 137 P CB 0.454 32.160 31.700 0.010 0.000 0.923 138 C N 1.972 121.278 119.300 0.010 0.000 3.498 138 C HA 0.381 4.841 4.460 0.000 0.000 0.218 138 C C 1.143 176.138 174.990 0.008 0.000 1.284 138 C CA 0.071 59.094 59.018 0.009 0.000 1.343 138 C CB -1.455 26.291 27.740 0.010 0.000 1.825 138 C HN 0.520 nan 8.230 nan 0.000 0.518 139 S N 1.173 116.877 115.700 0.007 0.000 2.497 139 S HA 0.099 4.569 4.470 0.000 0.000 0.221 139 S C 0.339 174.942 174.600 0.005 0.000 1.037 139 S CA 0.227 58.431 58.200 0.006 0.000 0.920 139 S CB 0.076 63.280 63.200 0.007 0.000 0.800 139 S HN 0.956 nan 8.310 nan 0.000 0.505 140 D N 0.828 121.231 120.400 0.004 0.000 2.332 140 D HA 0.302 4.942 4.640 0.000 0.000 0.252 140 D C 1.047 177.349 176.300 0.002 0.000 1.050 140 D CA -0.249 53.753 54.000 0.003 0.000 0.970 140 D CB 0.776 41.578 40.800 0.003 0.000 1.141 140 D HN 0.029 nan 8.370 nan 0.000 0.485 141 S N 0.398 116.099 115.700 0.001 0.000 2.442 141 S HA -0.274 4.196 4.470 0.000 0.000 0.236 141 S C 1.596 176.196 174.600 0.000 0.000 1.007 141 S CA 1.131 59.331 58.200 0.000 0.000 0.965 141 S CB -0.473 62.726 63.200 -0.001 0.000 0.773 141 S HN 0.621 nan 8.310 nan 0.000 0.504 142 K N 1.714 122.114 120.400 0.001 0.000 2.026 142 K HA -0.019 4.301 4.320 0.000 0.000 0.208 142 K C 2.335 178.936 176.600 0.002 0.000 1.048 142 K CA 1.210 57.498 56.287 0.001 0.000 0.929 142 K CB -0.643 31.858 32.500 0.002 0.000 0.713 142 K HN 0.433 nan 8.250 nan 0.000 0.439 143 A N 1.467 124.288 122.820 0.003 0.000 1.873 143 A HA -0.104 4.216 4.320 0.000 0.000 0.215 143 A C 2.108 179.694 177.584 0.003 0.000 1.186 143 A CA 1.429 53.468 52.037 0.004 0.000 0.616 143 A CB -0.625 18.378 19.000 0.005 0.000 0.823 143 A HN 0.355 nan 8.150 nan 0.000 0.442 144 I N -0.044 120.528 120.570 0.002 0.000 2.194 144 I HA -0.366 3.804 4.170 0.000 0.000 0.246 144 I C 2.936 179.053 176.117 -0.001 0.000 1.093 144 I CA 1.288 62.588 61.300 0.001 0.000 1.355 144 I CB -0.346 37.654 38.000 -0.000 0.000 1.046 144 I HN 0.390 nan 8.210 nan 0.000 0.413 145 A N 0.024 122.843 122.820 -0.001 0.000 1.873 145 A HA -0.228 4.092 4.320 0.000 0.000 0.215 145 A C 2.256 179.839 177.584 -0.002 0.000 1.186 145 A CA 1.376 53.412 52.037 -0.003 0.000 0.616 145 A CB -0.584 18.414 19.000 -0.003 0.000 0.823 145 A HN 0.448 nan 8.150 nan 0.000 0.442 146 Q N -0.385 119.415 119.800 -0.000 0.000 2.030 146 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 146 Q C 2.186 178.186 176.000 0.000 0.000 0.986 146 Q CA 1.933 57.736 55.803 -0.000 0.000 0.843 146 Q CB -0.468 28.270 28.738 0.001 0.000 0.904 146 Q HN 0.484 nan 8.270 nan 0.000 0.420 147 V N 0.497 120.413 119.914 0.002 0.000 2.287 147 V HA -0.242 3.878 4.120 0.000 0.000 0.248 147 V C 2.261 178.356 176.094 0.003 0.000 1.053 147 V CA 2.045 64.347 62.300 0.004 0.000 1.027 147 V CB -1.295 30.532 31.823 0.006 0.000 0.646 147 V HN 0.578 nan 8.190 nan 0.000 0.447 148 G N -0.535 108.265 108.800 0.001 0.000 2.442 148 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 148 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 148 G C 1.670 176.568 174.900 -0.003 0.000 1.141 148 G CA 1.570 46.669 45.100 -0.002 0.000 0.763 148 G HN 0.493 nan 8.290 nan 0.000 0.554 149 T N 1.414 115.966 114.554 -0.003 0.000 2.708 149 T HA -0.039 4.311 4.350 0.000 0.000 0.266 149 T C 2.383 177.081 174.700 -0.003 0.000 1.037 149 T CA 0.990 63.087 62.100 -0.004 0.000 1.146 149 T CB -0.150 68.715 68.868 -0.004 0.000 0.865 149 T HN 0.275 nan 8.240 nan 0.000 0.435 150 I N 1.391 121.960 120.570 -0.003 0.000 2.286 150 I HA -0.159 4.011 4.170 0.000 0.000 0.248 150 I C 2.585 178.701 176.117 -0.002 0.000 1.115 150 I CA 0.971 62.269 61.300 -0.004 0.000 1.392 150 I CB -0.413 37.585 38.000 -0.003 0.000 1.065 150 I HN 0.198 nan 8.210 nan 0.000 0.418 151 S N 0.951 116.652 115.700 0.002 0.000 2.402 151 S HA -0.025 4.445 4.470 0.000 0.000 0.229 151 S C 1.943 176.546 174.600 0.005 0.000 1.021 151 S CA 1.076 59.280 58.200 0.006 0.000 0.974 151 S CB -0.222 62.986 63.200 0.012 0.000 0.800 151 S HN 0.519 nan 8.310 nan 0.000 0.484 152 A N 1.257 124.077 122.820 0.001 0.000 2.291 152 A HA 0.297 4.617 4.320 0.000 0.000 0.220 152 A C 0.745 178.327 177.584 -0.002 0.000 1.262 152 A CA 0.131 52.168 52.037 -0.001 0.000 0.867 152 A CB -0.778 18.220 19.000 -0.004 0.000 0.888 152 A HN 0.483 nan 8.150 nan 0.000 0.487 153 N N -0.998 117.700 118.700 -0.003 0.000 2.780 153 N HA -0.211 4.529 4.740 0.000 0.000 0.247 153 N C 0.126 175.631 175.510 -0.007 0.000 1.076 153 N CA 1.058 54.104 53.050 -0.006 0.000 0.688 153 N CB -1.912 36.572 38.487 -0.005 0.000 0.957 153 N HN 0.482 nan 8.380 nan 0.000 0.551 154 S N -1.533 114.163 115.700 -0.007 0.000 3.593 154 S HA -0.210 4.260 4.470 0.000 0.000 0.301 154 S C -0.478 174.118 174.600 -0.006 0.000 1.209 154 S CA 0.715 58.910 58.200 -0.007 0.000 0.878 154 S CB -1.079 62.116 63.200 -0.009 0.000 1.000 154 S HN 0.724 nan 8.310 nan 0.000 0.578 155 D N 1.330 121.726 120.400 -0.006 0.000 2.456 155 D HA 0.284 4.924 4.640 0.000 0.000 0.219 155 D C 1.104 177.401 176.300 -0.006 0.000 1.126 155 D CA -0.349 53.648 54.000 -0.006 0.000 0.890 155 D CB 0.472 41.269 40.800 -0.005 0.000 1.025 155 D HN 0.447 nan 8.370 nan 0.000 0.511 156 E N 1.041 121.237 120.200 -0.005 0.000 2.219 156 E HA -0.170 4.180 4.350 0.000 0.000 0.198 156 E C 1.365 177.962 176.600 -0.006 0.000 0.998 156 E CA 1.161 57.558 56.400 -0.005 0.000 0.818 156 E CB 0.304 30.001 29.700 -0.004 0.000 0.741 156 E HN 0.475 nan 8.360 nan 0.000 0.477 157 T N 0.724 115.274 114.554 -0.006 0.000 2.652 157 T HA -0.166 4.184 4.350 0.000 0.000 0.267 157 T C 2.112 176.807 174.700 -0.008 0.000 1.039 157 T CA 1.495 63.591 62.100 -0.007 0.000 1.153 157 T CB -0.314 68.550 68.868 -0.006 0.000 0.863 157 T HN 0.007 nan 8.240 nan 0.000 0.428 158 V N 1.498 121.407 119.914 -0.008 0.000 2.287 158 V HA -0.148 3.972 4.120 0.000 0.000 0.248 158 V C 2.891 178.979 176.094 -0.011 0.000 1.053 158 V CA 2.028 64.321 62.300 -0.011 0.000 1.027 158 V CB -1.556 30.261 31.823 -0.010 0.000 0.646 158 V HN 0.621 nan 8.190 nan 0.000 0.447 159 G N -0.334 108.461 108.800 -0.008 0.000 2.476 159 G HA2 -0.362 3.598 3.960 0.000 0.000 0.218 159 G HA3 -0.362 3.598 3.960 0.000 0.000 0.218 159 G C 1.643 176.538 174.900 -0.008 0.000 1.164 159 G CA 1.305 46.400 45.100 -0.007 0.000 0.768 159 G HN 0.510 nan 8.290 nan 0.000 0.560 160 K N -0.034 120.362 120.400 -0.007 0.000 2.009 160 K HA -0.010 4.310 4.320 0.000 0.000 0.210 160 K C 2.594 179.189 176.600 -0.009 0.000 1.049 160 K CA 1.096 57.379 56.287 -0.007 0.000 0.929 160 K CB -0.338 32.159 32.500 -0.006 0.000 0.714 160 K HN 0.342 nan 8.250 nan 0.000 0.440 161 L N 0.987 122.203 121.223 -0.011 0.000 1.990 161 L HA -0.258 4.082 4.340 0.000 0.000 0.213 161 L C 2.518 179.378 176.870 -0.016 0.000 1.072 161 L CA 1.554 56.386 54.840 -0.013 0.000 0.755 161 L CB -0.413 41.637 42.059 -0.015 0.000 0.889 161 L HN 0.297 nan 8.230 nan 0.000 0.432 162 I N -0.501 120.058 120.570 -0.018 0.000 2.208 162 I HA -0.328 3.842 4.170 0.000 0.000 0.245 162 I C 2.748 178.856 176.117 -0.015 0.000 1.097 162 I CA 1.247 62.534 61.300 -0.021 0.000 1.363 162 I CB -0.507 37.480 38.000 -0.023 0.000 1.051 162 I HN 0.265 nan 8.210 nan 0.000 0.413 163 A N 0.573 123.386 122.820 -0.011 0.000 1.902 163 A HA -0.210 4.110 4.320 0.000 0.000 0.217 163 A C 2.195 179.775 177.584 -0.008 0.000 1.181 163 A CA 1.623 53.655 52.037 -0.008 0.000 0.623 163 A CB -0.532 18.465 19.000 -0.006 0.000 0.818 163 A HN 0.470 nan 8.150 nan 0.000 0.443 164 E N -0.101 120.094 120.200 -0.009 0.000 2.072 164 E HA -0.085 4.265 4.350 0.000 0.000 0.191 164 E C 2.319 178.913 176.600 -0.009 0.000 0.985 164 E CA 0.891 57.286 56.400 -0.008 0.000 0.801 164 E CB -0.312 29.384 29.700 -0.008 0.000 0.750 164 E HN 0.609 nan 8.360 nan 0.000 0.452 165 A N 1.430 124.243 122.820 -0.012 0.000 1.902 165 A HA -0.175 4.145 4.320 0.000 0.000 0.217 165 A C 2.195 179.772 177.584 -0.012 0.000 1.181 165 A CA 1.404 53.433 52.037 -0.014 0.000 0.623 165 A CB -0.454 18.534 19.000 -0.020 0.000 0.818 165 A HN 0.130 nan 8.150 nan 0.000 0.443 166 M N -1.031 118.562 119.600 -0.012 0.000 2.296 166 M HA -0.120 4.360 4.480 0.000 0.000 0.265 166 M C 1.762 178.059 176.300 -0.006 0.000 1.064 166 M CA 1.708 57.003 55.300 -0.009 0.000 1.109 166 M CB -0.475 32.121 32.600 -0.008 0.000 1.396 166 M HN 0.469 nan 8.290 nan 0.000 0.430 167 D N 0.680 121.076 120.400 -0.006 0.000 2.178 167 D HA -0.124 4.516 4.640 0.000 0.000 0.202 167 D C 1.986 178.284 176.300 -0.004 0.000 0.974 167 D CA 1.117 55.115 54.000 -0.004 0.000 0.841 167 D CB 0.273 41.071 40.800 -0.004 0.000 0.953 167 D HN 0.032 nan 8.370 nan 0.000 0.478 168 K N -0.180 120.217 120.400 -0.005 0.000 2.031 168 K HA -0.012 4.308 4.320 0.000 0.000 0.205 168 K C 1.877 178.474 176.600 -0.004 0.000 1.049 168 K CA 1.220 57.505 56.287 -0.005 0.000 0.939 168 K CB -0.245 32.251 32.500 -0.006 0.000 0.717 168 K HN 0.302 nan 8.250 nan 0.000 0.438 169 V N -3.045 116.866 119.914 -0.004 0.000 3.427 169 V HA 0.431 4.551 4.120 0.000 0.000 0.305 169 V C 0.471 176.564 176.094 -0.002 0.000 1.412 169 V CA 0.078 62.376 62.300 -0.003 0.000 1.086 169 V CB -0.239 31.582 31.823 -0.004 0.000 0.964 169 V HN 0.348 nan 8.190 nan 0.000 0.439 170 G N 2.076 110.875 108.800 -0.002 0.000 2.690 170 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 170 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 170 G C 0.047 174.947 174.900 -0.000 0.000 1.277 170 G CA -0.143 44.957 45.100 -0.000 0.000 0.799 170 G HN 0.624 nan 8.290 nan 0.000 0.613 171 K N -0.160 120.240 120.400 0.001 0.000 2.525 171 K HA 0.116 4.436 4.320 0.000 0.000 0.192 171 K C 0.549 177.152 176.600 0.004 0.000 1.029 171 K CA 1.087 57.374 56.287 0.002 0.000 1.029 171 K CB 0.526 33.029 32.500 0.003 0.000 0.814 171 K HN 0.435 nan 8.250 nan 0.000 0.503 172 E N 1.222 121.425 120.200 0.005 0.000 2.693 172 E HA 0.120 4.470 4.350 0.000 0.000 0.214 172 E C 0.361 176.965 176.600 0.008 0.000 0.990 172 E CA -0.091 56.314 56.400 0.009 0.000 1.047 172 E CB 1.211 30.917 29.700 0.011 0.000 1.039 172 E HN 0.361 nan 8.360 nan 0.000 0.475 173 G N 0.596 109.398 108.800 0.003 0.000 2.477 173 G HA2 0.365 4.325 3.960 0.000 0.000 0.304 173 G HA3 0.365 4.325 3.960 0.000 0.000 0.304 173 G C 0.089 174.988 174.900 -0.001 0.000 1.175 173 G CA -0.447 44.655 45.100 0.003 0.000 0.907 173 G HN -0.055 nan 8.290 nan 0.000 0.509 174 V N 1.086 121.000 119.914 0.001 0.000 2.572 174 V HA 0.267 4.387 4.120 0.000 0.000 0.291 174 V C 0.255 176.341 176.094 -0.013 0.000 1.039 174 V CA 0.394 62.692 62.300 -0.004 0.000 1.055 174 V CB 0.322 32.147 31.823 0.003 0.000 0.969 174 V HN 0.424 nan 8.190 nan 0.000 0.482 175 I N 4.168 124.723 120.570 -0.024 0.000 2.534 175 I HA 0.481 4.651 4.170 0.000 0.000 0.288 175 I C -0.174 175.916 176.117 -0.045 0.000 1.077 175 I CA -0.213 61.067 61.300 -0.034 0.000 1.051 175 I CB 2.428 40.402 38.000 -0.043 0.000 1.234 175 I HN 0.532 nan 8.210 nan 0.000 0.425 176 T N 4.741 119.272 114.554 -0.038 0.000 2.924 176 T HA 0.640 4.990 4.350 0.000 0.000 0.291 176 T C -0.574 174.104 174.700 -0.037 0.000 1.045 176 T CA -0.665 61.412 62.100 -0.038 0.000 1.015 176 T CB 2.559 71.412 68.868 -0.025 0.000 1.103 176 T HN 0.450 nan 8.240 nan 0.000 0.496 177 V N -0.400 119.492 119.914 -0.037 0.000 2.680 177 V HA 0.876 4.996 4.120 0.000 0.000 0.309 177 V C -1.003 175.079 176.094 -0.019 0.000 1.052 177 V CA -0.764 61.518 62.300 -0.030 0.000 0.908 177 V CB 1.780 33.581 31.823 -0.037 0.000 1.001 177 V HN 0.957 nan 8.190 nan 0.000 0.431 178 E N 1.748 121.939 120.200 -0.016 0.000 2.429 178 E HA 0.412 4.762 4.350 0.000 0.000 0.276 178 E C -1.641 174.953 176.600 -0.010 0.000 0.953 178 E CA -1.035 55.358 56.400 -0.011 0.000 0.787 178 E CB 1.803 31.496 29.700 -0.011 0.000 1.307 178 E HN 0.790 nan 8.360 nan 0.000 0.458 179 D N 1.002 121.398 120.400 -0.007 0.000 2.443 179 D HA 0.154 4.794 4.640 0.000 0.000 0.239 179 D C 0.250 176.545 176.300 -0.007 0.000 1.136 179 D CA 0.381 54.377 54.000 -0.006 0.000 0.879 179 D CB 0.924 41.721 40.800 -0.005 0.000 1.195 179 D HN 0.500 nan 8.370 nan 0.000 0.443 180 G N -0.423 108.373 108.800 -0.007 0.000 2.580 180 G HA2 0.265 4.225 3.960 0.000 0.000 0.278 180 G HA3 0.265 4.225 3.960 0.000 0.000 0.278 180 G C 1.020 175.916 174.900 -0.007 0.000 1.212 180 G CA -0.210 44.885 45.100 -0.007 0.000 0.939 180 G HN 0.447 nan 8.290 nan 0.000 0.513 181 T N -3.343 111.207 114.554 -0.007 0.000 3.113 181 T HA 0.424 4.774 4.350 0.000 0.000 0.256 181 T C 1.030 175.726 174.700 -0.006 0.000 1.131 181 T CA 0.719 62.815 62.100 -0.006 0.000 1.074 181 T CB -0.079 68.785 68.868 -0.007 0.000 0.944 181 T HN 2.095 nan 8.240 nan 0.000 0.516 182 G N 1.604 110.401 108.800 -0.005 0.000 3.084 182 G HA2 0.316 4.276 3.960 0.000 0.000 0.543 182 G HA3 0.316 4.276 3.960 0.000 0.000 0.543 182 G C -0.748 174.149 174.900 -0.005 0.000 1.239 182 G CA -0.697 44.401 45.100 -0.005 0.000 1.190 182 G HN 0.752 nan 8.290 nan 0.000 0.549 183 L N 1.029 122.249 121.223 -0.004 0.000 1.712 183 L HA -0.171 4.169 4.340 0.000 0.000 0.402 183 L C 0.288 177.155 176.870 -0.005 0.000 1.004 183 L CA 2.323 57.160 54.840 -0.004 0.000 1.208 183 L CB -0.558 41.499 42.059 -0.004 0.000 0.528 183 L HN 1.948 nan 8.230 nan 0.000 0.369 184 Q N 2.307 122.103 119.800 -0.005 0.000 3.149 184 Q HA -0.077 4.263 4.340 0.000 0.000 0.055 184 Q C -0.568 175.428 176.000 -0.006 0.000 1.662 184 Q CA 0.874 56.674 55.803 -0.005 0.000 0.281 184 Q CB -0.135 28.600 28.738 -0.005 0.000 0.584 184 Q HN 0.686 nan 8.270 nan 0.000 0.322 185 D N 2.490 122.886 120.400 -0.007 0.000 2.371 185 D HA 0.301 4.941 4.640 0.000 0.000 0.242 185 D C -0.023 176.272 176.300 -0.008 0.000 1.218 185 D CA 0.179 54.174 54.000 -0.008 0.000 0.945 185 D CB 0.706 41.501 40.800 -0.009 0.000 1.137 185 D HN 0.362 nan 8.370 nan 0.000 0.464 186 E N -0.222 119.972 120.200 -0.009 0.000 2.304 186 E HA 0.396 4.746 4.350 0.000 0.000 0.277 186 E C -1.293 175.301 176.600 -0.010 0.000 0.898 186 E CA -0.763 55.632 56.400 -0.009 0.000 0.764 186 E CB 2.312 32.007 29.700 -0.009 0.000 1.216 186 E HN 0.071 nan 8.360 nan 0.000 0.419 187 L N 3.302 124.519 121.223 -0.010 0.000 2.343 187 L HA 0.537 4.877 4.340 0.000 0.000 0.278 187 L C -1.595 175.270 176.870 -0.009 0.000 0.996 187 L CA -0.113 54.721 54.840 -0.010 0.000 0.831 187 L CB 1.035 43.088 42.059 -0.010 0.000 1.232 187 L HN 0.436 nan 8.230 nan 0.000 0.413 188 D N 4.012 124.406 120.400 -0.010 0.000 2.645 188 D HA 0.542 5.182 4.640 0.000 0.000 0.228 188 D C -1.162 175.133 176.300 -0.008 0.000 1.148 188 D CA -0.274 53.721 54.000 -0.008 0.000 0.860 188 D CB 2.721 43.516 40.800 -0.008 0.000 1.548 188 D HN 0.261 nan 8.370 nan 0.000 0.460 189 V N 1.030 120.940 119.914 -0.006 0.000 2.409 189 V HA 0.511 4.631 4.120 0.000 0.000 0.291 189 V C 0.351 176.443 176.094 -0.004 0.000 1.020 189 V CA -0.711 61.586 62.300 -0.005 0.000 0.848 189 V CB 1.454 33.274 31.823 -0.004 0.000 0.990 189 V HN 0.515 nan 8.190 nan 0.000 0.430 190 V N 1.154 121.067 119.914 -0.003 0.000 3.155 190 V HA 0.718 4.838 4.120 0.000 0.000 0.313 190 V C -0.329 175.766 176.094 0.002 0.000 1.162 190 V CA -1.042 61.257 62.300 -0.002 0.000 1.048 190 V CB 2.153 33.974 31.823 -0.003 0.000 1.092 190 V HN 0.652 nan 8.190 nan 0.000 0.447 191 E N 1.329 121.531 120.200 0.003 0.000 2.299 191 E HA 0.597 4.947 4.350 0.000 0.000 0.272 191 E C 0.211 176.818 176.600 0.011 0.000 1.043 191 E CA 0.874 57.278 56.400 0.006 0.000 0.895 191 E CB 0.815 30.518 29.700 0.005 0.000 1.011 191 E HN 1.181 nan 8.360 nan 0.000 0.432 192 G N 1.394 110.204 108.800 0.017 0.000 2.550 192 G HA2 0.627 4.587 3.960 0.000 0.000 0.293 192 G HA3 0.627 4.587 3.960 0.000 0.000 0.293 192 G C -1.197 173.727 174.900 0.040 0.000 1.402 192 G CA -0.604 44.512 45.100 0.027 0.000 0.784 192 G HN 0.408 nan 8.290 nan 0.000 0.482 193 M N -0.489 119.148 119.600 0.062 0.000 2.833 193 M HA 0.622 5.102 4.480 0.000 0.000 0.270 193 M C -2.327 174.047 176.300 0.123 0.000 1.209 193 M CA -0.690 54.665 55.300 0.092 0.000 0.826 193 M CB 2.495 35.162 32.600 0.111 0.000 1.657 193 M HN 0.745 nan 8.290 nan 0.000 0.492 194 Q N 2.723 122.613 119.800 0.151 0.000 2.281 194 Q HA 0.578 4.918 4.340 0.000 0.000 0.263 194 Q C -2.265 173.853 176.000 0.197 0.000 0.989 194 Q CA -0.655 55.209 55.803 0.102 0.000 0.852 194 Q CB 1.807 30.555 28.738 0.017 0.000 1.337 194 Q HN 0.570 nan 8.270 nan 0.000 0.418 195 F N -0.093 119.859 119.950 0.003 0.000 2.611 195 F HA 0.591 5.118 4.527 0.000 0.000 0.324 195 F C -0.391 175.412 175.800 0.004 0.000 1.061 195 F CA -1.340 56.664 58.000 0.006 0.000 0.954 195 F CB 0.989 39.994 39.000 0.008 0.000 1.301 195 F HN 0.291 nan 8.300 nan 0.000 0.482 196 D N 2.645 123.141 120.400 0.161 0.000 2.619 196 D HA 0.218 4.858 4.640 0.000 0.000 0.224 196 D C -0.360 175.975 176.300 0.059 0.000 1.133 196 D CA 0.219 54.248 54.000 0.047 0.000 1.017 196 D CB -0.025 40.814 40.800 0.065 0.000 1.077 196 D HN 0.290 nan 8.370 nan 0.000 0.503 197 R N 0.470 120.938 120.500 -0.053 0.000 2.510 197 R HA 0.438 4.778 4.340 0.000 0.000 0.287 197 R C 0.249 176.459 176.300 -0.150 0.000 1.084 197 R CA -0.672 55.423 56.100 -0.009 0.000 0.934 197 R CB 1.953 32.376 30.300 0.206 0.000 1.201 197 R HN 0.242 nan 8.270 nan 0.000 0.431 198 G N 1.285 109.991 108.800 -0.156 0.000 2.537 198 G HA2 0.387 4.347 3.960 0.000 0.000 0.297 198 G HA3 0.387 4.347 3.960 0.000 0.000 0.297 198 G C -0.499 174.306 174.900 -0.157 0.000 1.310 198 G CA -0.467 44.458 45.100 -0.293 0.000 1.027 198 G HN 0.441 nan 8.290 nan 0.000 0.505 199 Y N -1.423 118.909 120.300 0.054 0.000 2.578 199 Y HA 0.290 4.840 4.550 0.000 0.000 0.339 199 Y C 1.181 177.191 175.900 0.183 0.000 1.231 199 Y CA -1.132 57.053 58.100 0.143 0.000 1.461 199 Y CB 0.359 38.952 38.460 0.221 0.000 1.323 199 Y HN 0.176 nan 8.280 nan 0.000 0.590 200 L N 2.148 123.680 121.223 0.514 0.000 2.650 200 L HA 0.098 4.438 4.340 0.000 0.000 0.235 200 L C 0.236 177.319 176.870 0.354 0.000 1.149 200 L CA 0.924 55.998 54.840 0.390 0.000 0.887 200 L CB -0.630 41.646 42.059 0.362 0.000 1.021 200 L HN 0.914 nan 8.230 nan 0.000 0.441 201 S N -3.266 112.679 115.700 0.408 0.000 2.751 201 S HA 0.238 4.708 4.470 0.000 0.000 0.289 201 S C -2.913 171.530 174.600 -0.262 0.000 0.965 201 S CA -1.156 57.090 58.200 0.077 0.000 0.855 201 S CB 0.848 64.007 63.200 -0.067 0.000 1.068 201 S HN -0.251 nan 8.310 nan 0.000 0.462 202 P HA 0.405 nan 4.420 nan 0.000 0.339 202 P C 0.344 177.292 177.300 -0.587 0.000 1.413 202 P CA 0.649 63.264 63.100 -0.808 0.000 0.833 202 P CB -0.116 31.138 31.700 -0.744 0.000 2.004 203 Y N -4.859 115.240 120.300 -0.335 0.000 2.902 203 Y HA -0.299 4.251 4.550 0.000 0.000 0.486 203 Y C 1.893 177.687 175.900 -0.177 0.000 1.163 203 Y CA 1.456 59.392 58.100 -0.274 0.000 2.765 203 Y CB -3.013 35.223 38.460 -0.374 0.000 0.870 203 Y HN 0.092 nan 8.280 nan 0.000 0.536 204 F N 0.350 120.288 119.950 -0.021 0.000 2.216 204 F HA -0.019 4.508 4.527 0.000 0.000 0.300 204 F C 1.542 177.300 175.800 -0.071 0.000 1.085 204 F CA 0.551 58.533 58.000 -0.030 0.000 1.326 204 F CB -0.623 38.359 39.000 -0.029 0.000 1.027 204 F HN -0.021 nan 8.300 nan 0.000 0.497 205 I N 2.526 123.094 120.570 -0.003 0.000 2.845 205 I HA -0.218 3.952 4.170 0.000 0.000 0.290 205 I C 0.564 176.688 176.117 0.012 0.000 1.202 205 I CA 0.573 61.846 61.300 -0.045 0.000 1.406 205 I CB -0.033 37.869 38.000 -0.164 0.000 1.383 205 I HN 0.229 nan 8.210 nan 0.000 0.549 206 N N 5.416 124.137 118.700 0.035 0.000 2.177 206 N HA 0.104 4.844 4.740 0.000 0.000 0.218 206 N C -0.220 175.305 175.510 0.024 0.000 1.182 206 N CA -0.266 52.805 53.050 0.035 0.000 0.882 206 N CB 0.542 39.056 38.487 0.045 0.000 1.052 206 N HN 0.400 nan 8.380 nan 0.000 0.519 207 K N 1.073 121.486 120.400 0.021 0.000 2.992 207 K HA 0.206 4.526 4.320 0.000 0.000 0.178 207 K C -2.198 174.411 176.600 0.015 0.000 1.122 207 K CA -1.290 55.009 56.287 0.019 0.000 0.926 207 K CB 2.213 34.728 32.500 0.026 0.000 1.121 207 K HN -0.019 nan 8.250 nan 0.000 0.610 208 P HA -0.216 nan 4.420 nan 0.000 0.217 208 P C 0.489 177.790 177.300 0.001 0.000 1.148 208 P CA 1.465 64.561 63.100 -0.006 0.000 0.828 208 P CB 0.496 32.189 31.700 -0.011 0.000 0.783 209 E N -0.072 120.132 120.200 0.007 0.000 2.097 209 E HA -0.126 4.224 4.350 0.000 0.000 0.196 209 E C 1.738 178.345 176.600 0.013 0.000 1.000 209 E CA 1.999 58.404 56.400 0.009 0.000 0.804 209 E CB -1.315 28.392 29.700 0.011 0.000 0.740 209 E HN 0.325 nan 8.360 nan 0.000 0.454 210 T N -1.292 113.275 114.554 0.022 0.000 3.069 210 T HA 0.293 4.643 4.350 0.000 0.000 0.252 210 T C 1.052 175.778 174.700 0.042 0.000 1.053 210 T CA 0.219 62.338 62.100 0.032 0.000 0.964 210 T CB 0.619 69.512 68.868 0.042 0.000 1.005 210 T HN 0.353 nan 8.240 nan 0.000 0.532 211 G N 1.879 110.702 108.800 0.037 0.000 2.338 211 G HA2 0.023 3.983 3.960 0.000 0.000 0.296 211 G HA3 0.023 3.983 3.960 0.000 0.000 0.296 211 G C 0.057 175.036 174.900 0.132 0.000 1.040 211 G CA 0.106 45.241 45.100 0.057 0.000 1.004 211 G HN 0.927 nan 8.290 nan 0.000 0.509 212 A N -1.218 121.663 122.820 0.101 0.000 2.469 212 A HA 0.914 5.234 4.320 0.000 0.000 0.299 212 A C -0.268 177.380 177.584 0.106 0.000 1.098 212 A CA -0.394 51.725 52.037 0.137 0.000 0.737 212 A CB 2.151 21.204 19.000 0.089 0.000 1.312 212 A HN 1.213 nan 8.150 nan 0.000 0.414 213 V N 1.071 121.066 119.914 0.135 0.000 2.435 213 V HA 0.522 4.642 4.120 0.000 0.000 0.290 213 V C -0.064 176.064 176.094 0.057 0.000 1.030 213 V CA -0.328 62.031 62.300 0.098 0.000 0.881 213 V CB 1.284 33.185 31.823 0.130 0.000 0.983 213 V HN 0.913 nan 8.190 nan 0.000 0.445 214 E N 4.759 124.981 120.200 0.038 0.000 2.255 214 E HA 0.544 4.894 4.350 0.000 0.000 0.256 214 E C -1.578 175.028 176.600 0.010 0.000 0.887 214 E CA -0.519 55.892 56.400 0.020 0.000 0.782 214 E CB 1.320 31.031 29.700 0.018 0.000 1.214 214 E HN 0.634 nan 8.360 nan 0.000 0.417 215 L N 3.416 124.639 121.223 -0.000 0.000 2.317 215 L HA 0.493 4.833 4.340 0.000 0.000 0.281 215 L C -0.112 176.748 176.870 -0.018 0.000 1.024 215 L CA -0.758 54.077 54.840 -0.009 0.000 0.810 215 L CB 1.674 43.724 42.059 -0.015 0.000 1.240 215 L HN 0.474 nan 8.230 nan 0.000 0.427 216 E N 1.399 121.584 120.200 -0.024 0.000 2.158 216 E HA 0.301 4.651 4.350 0.000 0.000 0.271 216 E C -0.449 176.113 176.600 -0.063 0.000 0.911 216 E CA -0.523 55.855 56.400 -0.036 0.000 0.767 216 E CB 1.559 31.242 29.700 -0.027 0.000 1.120 216 E HN 0.617 nan 8.360 nan 0.000 0.405 217 S N 1.938 117.591 115.700 -0.079 0.000 3.628 217 S HA -0.122 4.348 4.470 0.000 0.000 0.373 217 S C -2.179 172.305 174.600 -0.194 0.000 0.968 217 S CA 0.303 58.424 58.200 -0.132 0.000 1.215 217 S CB -1.410 61.709 63.200 -0.134 0.000 0.912 217 S HN 0.506 nan 8.310 nan 0.000 0.495 218 P HA 0.565 nan 4.420 nan 0.000 0.284 218 P C -0.049 177.168 177.300 -0.138 0.000 1.258 218 P CA -0.648 62.380 63.100 -0.119 0.000 0.824 218 P CB 0.611 32.292 31.700 -0.032 0.000 1.038 219 F N 0.794 120.744 119.950 -0.001 0.000 2.368 219 F HA 0.442 4.969 4.527 0.000 0.000 0.315 219 F C 0.929 176.729 175.800 0.001 0.000 1.145 219 F CA -0.208 57.792 58.000 0.000 0.000 1.095 219 F CB 0.572 39.572 39.000 -0.001 0.000 1.286 219 F HN 0.073 nan 8.300 nan 0.000 0.530 220 I N 3.165 123.877 120.570 0.237 0.000 2.497 220 I HA 0.203 4.373 4.170 0.000 0.000 0.284 220 I C -1.512 174.657 176.117 0.088 0.000 1.060 220 I CA -0.818 60.557 61.300 0.126 0.000 1.071 220 I CB 1.870 39.927 38.000 0.095 0.000 1.216 220 I HN 0.209 nan 8.210 nan 0.000 0.442 221 L N 8.221 129.479 121.223 0.059 0.000 2.257 221 L HA 0.515 4.855 4.340 0.000 0.000 0.290 221 L C -1.058 175.825 176.870 0.022 0.000 1.044 221 L CA 0.058 54.914 54.840 0.027 0.000 0.810 221 L CB 0.752 42.818 42.059 0.012 0.000 1.193 221 L HN 0.452 nan 8.230 nan 0.000 0.425 222 L N 6.428 127.657 121.223 0.010 0.000 2.276 222 L HA 0.736 5.076 4.340 0.000 0.000 0.286 222 L C -0.039 176.828 176.870 -0.004 0.000 1.024 222 L CA -0.445 54.395 54.840 -0.001 0.000 0.826 222 L CB 1.199 43.250 42.059 -0.012 0.000 1.211 222 L HN 0.807 nan 8.230 nan 0.000 0.422 223 A N 1.773 124.593 122.820 0.000 0.000 2.311 223 A HA 0.346 4.666 4.320 0.000 0.000 0.306 223 A C -0.418 177.168 177.584 0.002 0.000 1.189 223 A CA -0.537 51.501 52.037 0.002 0.000 0.791 223 A CB 0.884 19.889 19.000 0.008 0.000 1.172 223 A HN 0.694 nan 8.150 nan 0.000 0.481 224 D N 2.599 122.998 120.400 -0.003 0.000 2.801 224 D HA 0.292 4.932 4.640 0.000 0.000 0.232 224 D C 0.232 176.536 176.300 0.007 0.000 1.128 224 D CA 0.424 54.423 54.000 -0.002 0.000 1.003 224 D CB -0.559 40.236 40.800 -0.008 0.000 1.110 224 D HN 0.626 nan 8.370 nan 0.000 0.477 225 K N -1.103 119.305 120.400 0.014 0.000 2.672 225 K HA 0.375 4.695 4.320 0.000 0.000 0.295 225 K C -1.187 175.429 176.600 0.027 0.000 1.042 225 K CA -1.199 55.099 56.287 0.019 0.000 0.869 225 K CB 0.869 33.378 32.500 0.015 0.000 1.541 225 K HN -0.205 nan 8.250 nan 0.000 0.396 226 K N 1.106 121.524 120.400 0.028 0.000 2.156 226 K HA 0.440 4.760 4.320 0.000 0.000 0.271 226 K C -0.631 175.988 176.600 0.032 0.000 0.995 226 K CA -0.599 55.709 56.287 0.034 0.000 0.890 226 K CB 1.150 33.671 32.500 0.035 0.000 1.073 226 K HN 0.380 nan 8.250 nan 0.000 0.454 227 I N 2.326 122.919 120.570 0.038 0.000 2.312 227 I HA 0.064 4.234 4.170 0.000 0.000 0.290 227 I C 0.552 176.691 176.117 0.037 0.000 1.008 227 I CA 0.001 61.322 61.300 0.035 0.000 1.226 227 I CB 1.605 39.628 38.000 0.039 0.000 1.371 227 I HN 0.691 nan 8.210 nan 0.000 0.468 228 S N 3.629 119.346 115.700 0.029 0.000 2.655 228 S HA 0.069 4.539 4.470 0.000 0.000 0.231 228 S C 0.860 175.475 174.600 0.024 0.000 1.044 228 S CA 0.082 58.298 58.200 0.027 0.000 0.910 228 S CB 0.109 63.322 63.200 0.022 0.000 0.833 228 S HN 0.642 nan 8.310 nan 0.000 0.581 229 N N 2.202 120.913 118.700 0.019 0.000 2.415 229 N HA 0.187 4.927 4.740 0.000 0.000 0.246 229 N C 0.242 175.763 175.510 0.017 0.000 1.078 229 N CA 0.000 53.060 53.050 0.016 0.000 0.942 229 N CB 0.504 38.998 38.487 0.012 0.000 1.140 229 N HN 0.300 nan 8.380 nan 0.000 0.501 230 I N 3.298 123.880 120.570 0.019 0.000 3.164 230 I HA -0.163 4.007 4.170 0.000 0.000 0.278 230 I C 1.916 178.041 176.117 0.015 0.000 1.320 230 I CA 0.471 61.784 61.300 0.021 0.000 1.422 230 I CB 0.104 38.120 38.000 0.026 0.000 1.066 230 I HN 0.443 nan 8.210 nan 0.000 0.503 231 R N 0.928 121.434 120.500 0.011 0.000 2.073 231 R HA -0.173 4.167 4.340 0.000 0.000 0.234 231 R C 1.994 178.296 176.300 0.004 0.000 1.134 231 R CA 1.603 57.707 56.100 0.006 0.000 0.952 231 R CB -0.210 30.093 30.300 0.005 0.000 0.850 231 R HN 0.414 nan 8.270 nan 0.000 0.433 232 E N -0.534 119.669 120.200 0.005 0.000 2.147 232 E HA -0.277 4.073 4.350 0.000 0.000 0.199 232 E C 1.790 178.390 176.600 -0.000 0.000 1.005 232 E CA 1.490 57.892 56.400 0.003 0.000 0.810 232 E CB -0.076 29.627 29.700 0.005 0.000 0.736 232 E HN 0.299 nan 8.360 nan 0.000 0.460 233 M N 0.030 119.632 119.600 0.004 0.000 2.156 233 M HA -0.086 4.394 4.480 0.000 0.000 0.264 233 M C 2.405 178.702 176.300 -0.005 0.000 1.067 233 M CA 1.003 56.303 55.300 0.001 0.000 1.131 233 M CB -0.902 31.705 32.600 0.011 0.000 1.368 233 M HN 0.164 nan 8.290 nan 0.000 0.416 234 L N 0.516 121.738 121.223 -0.001 0.000 2.077 234 L HA -0.296 4.044 4.340 0.000 0.000 0.231 234 L C -0.197 176.667 176.870 -0.011 0.000 1.100 234 L CA 2.244 57.082 54.840 -0.003 0.000 0.819 234 L CB -2.817 39.241 42.059 -0.001 0.000 0.913 234 L HN 0.202 nan 8.230 nan 0.000 0.446 235 P HA -0.148 nan 4.420 nan 0.000 0.216 235 P C 1.778 179.056 177.300 -0.036 0.000 1.153 235 P CA 1.804 64.891 63.100 -0.022 0.000 0.858 235 P CB -0.059 31.628 31.700 -0.022 0.000 0.789 236 V N 0.179 120.069 119.914 -0.040 0.000 2.323 236 V HA -0.176 3.944 4.120 0.000 0.000 0.244 236 V C 2.913 178.971 176.094 -0.061 0.000 1.041 236 V CA 1.339 63.600 62.300 -0.064 0.000 1.025 236 V CB -1.380 30.406 31.823 -0.061 0.000 0.656 236 V HN -0.026 nan 8.190 nan 0.000 0.451 237 L N 0.074 121.279 121.223 -0.030 0.000 2.079 237 L HA -0.222 4.118 4.340 0.000 0.000 0.210 237 L C 2.674 179.538 176.870 -0.010 0.000 1.081 237 L CA 2.006 56.839 54.840 -0.012 0.000 0.752 237 L CB -0.529 41.533 42.059 0.005 0.000 0.896 237 L HN 0.449 nan 8.230 nan 0.000 0.433 238 E N 0.232 120.424 120.200 -0.014 0.000 2.077 238 E HA -0.254 4.096 4.350 0.000 0.000 0.193 238 E C 2.211 178.801 176.600 -0.016 0.000 0.989 238 E CA 1.176 57.570 56.400 -0.010 0.000 0.800 238 E CB 0.026 29.719 29.700 -0.011 0.000 0.746 238 E HN 0.479 nan 8.360 nan 0.000 0.452 239 A N 0.447 123.242 122.820 -0.042 0.000 1.902 239 A HA -0.137 4.183 4.320 0.000 0.000 0.217 239 A C 2.353 179.903 177.584 -0.058 0.000 1.181 239 A CA 1.471 53.470 52.037 -0.064 0.000 0.623 239 A CB -0.555 18.376 19.000 -0.115 0.000 0.818 239 A HN 0.228 nan 8.150 nan 0.000 0.443 240 V N -0.231 119.646 119.914 -0.062 0.000 2.667 240 V HA -0.147 3.973 4.120 0.000 0.000 0.252 240 V C 2.931 179.071 176.094 0.077 0.000 1.065 240 V CA 1.412 63.724 62.300 0.019 0.000 1.083 240 V CB -1.134 30.710 31.823 0.035 0.000 0.692 240 V HN 0.617 nan 8.190 nan 0.000 0.468 241 A N 0.072 122.915 122.820 0.038 0.000 1.851 241 A HA -0.171 4.149 4.320 0.000 0.000 0.216 241 A C 1.592 179.205 177.584 0.047 0.000 1.195 241 A CA 1.318 53.379 52.037 0.040 0.000 0.622 241 A CB -0.282 18.732 19.000 0.023 0.000 0.831 241 A HN 0.540 nan 8.150 nan 0.000 0.444 242 K N -2.773 117.650 120.400 0.039 0.000 0.000 242 K HA 0.396 4.716 4.320 0.000 0.000 0.000 242 K C 1.119 177.765 176.600 0.076 0.000 0.000 242 K CA 0.239 56.552 56.287 0.043 0.000 0.000 242 K CB 0.028 32.546 32.500 0.029 0.000 0.000 242 K HN 0.855 nan 8.250 nan 0.000 0.000 243 A N -0.134 122.733 122.820 0.079 0.000 4.287 243 A HA -0.215 4.105 4.320 0.000 0.000 0.258 243 A C 1.169 178.810 177.584 0.096 0.000 0.811 243 A CA 1.648 53.755 52.037 0.117 0.000 1.245 243 A CB -2.507 16.631 19.000 0.230 0.000 1.055 243 A HN 1.469 nan 8.150 nan 0.000 0.763 244 G N -0.616 108.235 108.800 0.084 0.000 2.393 244 G HA2 -0.212 3.748 3.960 0.000 0.000 0.299 244 G HA3 -0.212 3.748 3.960 0.000 0.000 0.299 244 G C -0.151 174.780 174.900 0.051 0.000 0.990 244 G CA 1.512 46.648 45.100 0.059 0.000 1.118 244 G HN 1.165 nan 8.290 nan 0.000 0.513 245 K N 0.533 120.986 120.400 0.089 0.000 2.375 245 K HA 0.535 4.855 4.320 0.000 0.000 0.249 245 K C -2.289 174.360 176.600 0.081 0.000 0.942 245 K CA -2.067 54.240 56.287 0.034 0.000 0.806 245 K CB 2.987 35.437 32.500 -0.083 0.000 1.227 245 K HN 0.094 nan 8.250 nan 0.000 0.430 246 P HA 0.152 nan 4.420 nan 0.000 0.274 246 P C -1.213 176.138 177.300 0.085 0.000 1.246 246 P CA -0.569 62.557 63.100 0.044 0.000 0.795 246 P CB 0.769 32.474 31.700 0.008 0.000 1.006 247 L N 1.952 123.218 121.223 0.071 0.000 2.410 247 L HA 0.527 4.867 4.340 0.000 0.000 0.270 247 L C -1.418 175.463 176.870 0.017 0.000 0.983 247 L CA -1.003 53.892 54.840 0.091 0.000 0.822 247 L CB 1.615 43.731 42.059 0.094 0.000 1.285 247 L HN 0.177 nan 8.230 nan 0.000 0.409 248 L N 6.053 127.295 121.223 0.031 0.000 2.287 248 L HA 0.616 4.956 4.340 0.000 0.000 0.287 248 L C -1.142 175.736 176.870 0.013 0.000 1.022 248 L CA -0.136 54.700 54.840 -0.006 0.000 0.814 248 L CB 1.049 43.121 42.059 0.023 0.000 1.217 248 L HN 0.459 nan 8.230 nan 0.000 0.420 249 I N 7.076 127.635 120.570 -0.018 0.000 2.304 249 I HA 0.287 4.457 4.170 0.000 0.000 0.291 249 I C -0.114 176.026 176.117 0.039 0.000 1.018 249 I CA -0.161 61.145 61.300 0.011 0.000 1.260 249 I CB 1.066 39.068 38.000 0.003 0.000 1.390 249 I HN 0.588 nan 8.210 nan 0.000 0.475 250 I N 6.213 126.814 120.570 0.052 0.000 2.388 250 I HA 0.492 4.662 4.170 0.000 0.000 0.281 250 I C 0.274 176.416 176.117 0.041 0.000 1.046 250 I CA -0.236 61.104 61.300 0.068 0.000 1.187 250 I CB 1.154 39.189 38.000 0.058 0.000 1.351 250 I HN 0.614 nan 8.210 nan 0.000 0.472 251 A N 4.177 127.029 122.820 0.052 0.000 2.387 251 A HA 0.445 4.765 4.320 0.000 0.000 0.303 251 A C 0.877 178.491 177.584 0.049 0.000 1.145 251 A CA -0.546 51.516 52.037 0.042 0.000 0.801 251 A CB 1.426 20.452 19.000 0.044 0.000 1.342 251 A HN 0.701 nan 8.150 nan 0.000 0.440 252 E N -0.674 119.551 120.200 0.041 0.000 2.209 252 E HA -0.107 4.243 4.350 0.000 0.000 0.196 252 E C -0.412 176.225 176.600 0.061 0.000 0.993 252 E CA 1.592 58.020 56.400 0.048 0.000 0.819 252 E CB 0.127 29.852 29.700 0.041 0.000 0.745 252 E HN 0.651 nan 8.360 nan 0.000 0.477 253 D N -2.323 118.114 120.400 0.062 0.000 2.898 253 D HA 0.034 4.674 4.640 0.000 0.000 0.254 253 D C -1.983 174.360 176.300 0.072 0.000 1.107 253 D CA -0.457 53.586 54.000 0.072 0.000 0.729 253 D CB 1.089 41.928 40.800 0.064 0.000 1.734 253 D HN -0.139 nan 8.370 nan 0.000 0.452 254 V N 2.875 122.843 119.914 0.089 0.000 2.376 254 V HA 0.412 4.532 4.120 0.000 0.000 0.287 254 V C 0.297 176.444 176.094 0.087 0.000 1.015 254 V CA -0.674 61.681 62.300 0.092 0.000 0.834 254 V CB 1.295 33.192 31.823 0.123 0.000 1.001 254 V HN 0.477 nan 8.190 nan 0.000 0.428 255 E N 2.634 122.874 120.200 0.066 0.000 2.392 255 E HA 0.293 4.643 4.350 0.000 0.000 0.259 255 E C 1.437 178.068 176.600 0.051 0.000 1.108 255 E CA 0.415 56.848 56.400 0.055 0.000 0.916 255 E CB 1.089 30.813 29.700 0.041 0.000 0.989 255 E HN 0.764 nan 8.360 nan 0.000 0.432 256 G N 1.953 110.778 108.800 0.041 0.000 2.853 256 G HA2 -0.452 3.508 3.960 0.000 0.000 0.234 256 G HA3 -0.452 3.508 3.960 0.000 0.000 0.234 256 G C 1.364 176.277 174.900 0.021 0.000 1.198 256 G CA 1.752 46.870 45.100 0.030 0.000 0.767 256 G HN 0.654 nan 8.290 nan 0.000 0.657 257 E N 0.732 120.942 120.200 0.016 0.000 2.058 257 E HA -0.016 4.334 4.350 0.000 0.000 0.194 257 E C 2.844 179.455 176.600 0.018 0.000 0.997 257 E CA 1.900 58.306 56.400 0.010 0.000 0.801 257 E CB -0.757 28.948 29.700 0.008 0.000 0.746 257 E HN 0.426 nan 8.360 nan 0.000 0.450 258 A N 0.270 123.109 122.820 0.031 0.000 1.908 258 A HA -0.177 4.143 4.320 0.000 0.000 0.218 258 A C 2.227 179.850 177.584 0.064 0.000 1.181 258 A CA 1.633 53.697 52.037 0.044 0.000 0.627 258 A CB -0.874 18.155 19.000 0.049 0.000 0.818 258 A HN 0.381 nan 8.150 nan 0.000 0.445 259 L N -0.315 120.953 121.223 0.075 0.000 2.046 259 L HA -0.086 4.254 4.340 0.000 0.000 0.208 259 L C 2.747 179.643 176.870 0.043 0.000 1.077 259 L CA 2.118 57.023 54.840 0.108 0.000 0.747 259 L CB -0.770 41.350 42.059 0.102 0.000 0.896 259 L HN 0.369 nan 8.230 nan 0.000 0.432 260 A N -1.583 121.235 122.820 -0.003 0.000 1.883 260 A HA -0.246 4.074 4.320 0.000 0.000 0.217 260 A C 2.274 179.833 177.584 -0.041 0.000 1.186 260 A CA 2.482 54.485 52.037 -0.057 0.000 0.624 260 A CB -1.288 17.680 19.000 -0.052 0.000 0.822 260 A HN 0.508 nan 8.150 nan 0.000 0.444 261 T N 0.656 115.209 114.554 -0.002 0.000 2.684 261 T HA -0.144 4.206 4.350 0.000 0.000 0.267 261 T C 1.823 176.544 174.700 0.034 0.000 1.036 261 T CA 1.570 63.675 62.100 0.009 0.000 1.148 261 T CB -0.473 68.407 68.868 0.020 0.000 0.863 261 T HN 0.379 nan 8.240 nan 0.000 0.436 262 L N 0.594 121.866 121.223 0.082 0.000 2.012 262 L HA -0.126 4.214 4.340 0.000 0.000 0.210 262 L C 2.722 179.692 176.870 0.167 0.000 1.073 262 L CA 1.107 56.040 54.840 0.155 0.000 0.748 262 L CB -0.881 41.339 42.059 0.268 0.000 0.891 262 L HN 0.148 nan 8.230 nan 0.000 0.431 263 V N -0.544 119.420 119.914 0.084 0.000 2.255 263 V HA -0.283 3.837 4.120 0.000 0.000 0.247 263 V C 2.457 178.523 176.094 -0.045 0.000 1.051 263 V CA 1.764 64.038 62.300 -0.042 0.000 1.018 263 V CB -0.365 31.282 31.823 -0.292 0.000 0.641 263 V HN 0.184 nan 8.190 nan 0.000 0.445 264 V N 0.472 120.343 119.914 -0.072 0.000 2.231 264 V HA -0.370 3.750 4.120 0.000 0.000 0.248 264 V C 2.108 178.193 176.094 -0.016 0.000 1.054 264 V CA 2.815 65.078 62.300 -0.062 0.000 1.015 264 V CB -1.063 30.725 31.823 -0.059 0.000 0.638 264 V HN 0.629 nan 8.190 nan 0.000 0.444 265 N N -0.042 118.664 118.700 0.008 0.000 2.149 265 N HA -0.183 4.557 4.740 0.000 0.000 0.188 265 N C 1.861 177.393 175.510 0.037 0.000 1.019 265 N CA 1.774 54.837 53.050 0.022 0.000 0.857 265 N CB -0.224 38.280 38.487 0.029 0.000 0.997 265 N HN 0.731 nan 8.380 nan 0.000 0.426 266 T N -1.408 113.184 114.554 0.064 0.000 2.995 266 T HA -0.032 4.318 4.350 0.000 0.000 0.269 266 T C 1.662 176.397 174.700 0.059 0.000 1.091 266 T CA 0.562 62.708 62.100 0.077 0.000 1.128 266 T CB -0.077 68.869 68.868 0.131 0.000 0.891 266 T HN 0.127 nan 8.240 nan 0.000 0.492 267 M N 0.260 119.885 119.600 0.041 0.000 2.562 267 M HA 0.232 4.712 4.480 0.000 0.000 0.257 267 M C 1.854 178.160 176.300 0.011 0.000 1.099 267 M CA 0.727 56.039 55.300 0.021 0.000 1.099 267 M CB 0.055 32.649 32.600 -0.010 0.000 1.427 267 M HN 0.133 nan 8.290 nan 0.000 0.489 268 R N -1.024 119.483 120.500 0.011 0.000 2.362 268 R HA 0.243 4.583 4.340 0.000 0.000 0.227 268 R C 1.180 177.487 176.300 0.012 0.000 0.905 268 R CA 0.558 56.662 56.100 0.006 0.000 1.067 268 R CB 0.401 30.702 30.300 0.002 0.000 1.078 268 R HN 0.535 nan 8.270 nan 0.000 0.516 269 G N 1.493 110.305 108.800 0.020 0.000 2.268 269 G HA2 -0.278 3.682 3.960 0.000 0.000 0.240 269 G HA3 -0.278 3.682 3.960 0.000 0.000 0.240 269 G C 0.275 175.189 174.900 0.024 0.000 1.010 269 G CA -0.292 44.821 45.100 0.021 0.000 0.618 269 G HN 0.238 nan 8.290 nan 0.000 0.516 270 I N 2.112 122.695 120.570 0.023 0.000 2.308 270 I HA 0.435 4.605 4.170 0.000 0.000 0.293 270 I C 0.713 176.849 176.117 0.033 0.000 1.078 270 I CA -0.527 60.787 61.300 0.024 0.000 1.292 270 I CB 0.816 38.827 38.000 0.019 0.000 1.423 270 I HN 0.201 nan 8.210 nan 0.000 0.493 271 V N 5.280 125.217 119.914 0.038 0.000 3.480 271 V HA -0.221 3.899 4.120 0.000 0.000 0.494 271 V C 0.089 176.215 176.094 0.053 0.000 0.682 271 V CA 0.313 62.641 62.300 0.046 0.000 2.039 271 V CB -0.976 30.872 31.823 0.042 0.000 2.474 271 V HN 0.811 nan 8.190 nan 0.000 0.505 272 K N 3.965 124.397 120.400 0.053 0.000 2.253 272 K HA 0.718 5.038 4.320 0.000 0.000 0.277 272 K C -0.384 176.239 176.600 0.038 0.000 1.053 272 K CA -0.513 55.805 56.287 0.053 0.000 0.892 272 K CB 1.857 34.382 32.500 0.042 0.000 1.102 272 K HN 0.508 nan 8.250 nan 0.000 0.469 273 V N 1.226 121.161 119.914 0.035 0.000 3.001 273 V HA 0.815 4.935 4.120 0.000 0.000 0.314 273 V C -0.857 175.084 176.094 -0.255 0.000 1.099 273 V CA -1.027 61.248 62.300 -0.043 0.000 0.989 273 V CB 1.956 33.785 31.823 0.010 0.000 1.040 273 V HN 0.852 nan 8.190 nan 0.000 0.434 274 A N 1.609 124.149 122.820 -0.467 0.000 2.540 274 A HA 0.959 5.279 4.320 0.000 0.000 0.297 274 A C -0.788 176.420 177.584 -0.626 0.000 1.056 274 A CA -0.001 51.417 52.037 -1.032 0.000 0.700 274 A CB 1.691 20.357 19.000 -0.557 0.000 1.280 274 A HN 1.724 nan 8.150 nan 0.000 0.398 275 A N 0.890 123.314 122.820 -0.662 0.000 2.413 275 A HA 0.958 5.278 4.320 0.000 0.000 0.307 275 A C -0.379 177.222 177.584 0.029 0.000 1.087 275 A CA -0.116 51.838 52.037 -0.139 0.000 0.750 275 A CB 1.559 20.571 19.000 0.019 0.000 1.296 275 A HN 2.395 nan 8.150 nan 0.000 0.423 276 V N -1.280 118.685 119.914 0.086 0.000 3.120 276 V HA 0.598 4.718 4.120 0.000 0.000 0.303 276 V C -0.678 175.510 176.094 0.157 0.000 1.238 276 V CA -1.240 61.142 62.300 0.137 0.000 1.008 276 V CB 1.429 33.330 31.823 0.129 0.000 1.064 276 V HN 0.903 nan 8.190 nan 0.000 0.434 277 K N 1.996 122.490 120.400 0.157 0.000 2.319 277 K HA 0.642 4.962 4.320 0.000 0.000 0.265 277 K C 0.495 177.196 176.600 0.167 0.000 1.000 277 K CA 0.355 56.725 56.287 0.140 0.000 0.943 277 K CB 1.085 33.657 32.500 0.121 0.000 0.950 277 K HN 1.165 nan 8.250 nan 0.000 0.485 278 A N 3.868 126.743 122.820 0.092 0.000 2.462 278 A HA 0.204 4.524 4.320 0.000 0.000 0.243 278 A C -2.012 175.588 177.584 0.025 0.000 1.076 278 A CA -1.147 50.895 52.037 0.009 0.000 0.773 278 A CB -0.363 18.624 19.000 -0.022 0.000 1.010 278 A HN 0.473 nan 8.150 nan 0.000 0.493 279 P HA 0.326 nan 4.420 nan 0.000 0.269 279 P C 0.724 178.042 177.300 0.030 0.000 1.209 279 P CA 1.419 64.522 63.100 0.005 0.000 0.776 279 P CB 0.469 32.046 31.700 -0.206 0.000 0.876 280 G N 1.945 110.814 108.800 0.115 0.000 2.749 280 G HA2 -0.099 3.861 3.960 0.000 0.000 0.242 280 G HA3 -0.099 3.861 3.960 0.000 0.000 0.242 280 G C -0.654 174.383 174.900 0.228 0.000 1.364 280 G CA 0.150 45.345 45.100 0.157 0.000 0.888 280 G HN 0.753 nan 8.290 nan 0.000 0.566 281 F N -2.590 117.375 119.950 0.025 0.000 2.726 281 F HA 0.840 5.367 4.527 0.000 0.000 0.324 281 F C 1.132 176.946 175.800 0.023 0.000 1.140 281 F CA 0.169 58.184 58.000 0.024 0.000 0.964 281 F CB 0.822 39.840 39.000 0.031 0.000 1.399 281 F HN 2.409 nan 8.300 nan 0.000 0.491 282 G N 1.072 109.854 108.800 -0.029 0.000 2.583 282 G HA2 -0.304 3.656 3.960 0.000 0.000 0.292 282 G HA3 -0.304 3.656 3.960 0.000 0.000 0.292 282 G C 0.308 175.127 174.900 -0.135 0.000 1.203 282 G CA 0.719 45.741 45.100 -0.130 0.000 0.987 282 G HN 0.853 nan 8.290 nan 0.000 0.554 283 D N 1.034 121.335 120.400 -0.166 0.000 2.183 283 D HA -0.022 4.618 4.640 0.000 0.000 0.205 283 D C 2.481 178.704 176.300 -0.128 0.000 0.962 283 D CA 1.255 55.188 54.000 -0.111 0.000 0.849 283 D CB -0.205 40.545 40.800 -0.083 0.000 0.978 283 D HN 0.692 nan 8.370 nan 0.000 0.488 284 R N 1.158 121.547 120.500 -0.186 0.000 2.377 284 R HA 0.018 4.358 4.340 0.000 0.000 0.207 284 R C 1.992 178.210 176.300 -0.137 0.000 1.075 284 R CA 0.612 56.615 56.100 -0.162 0.000 1.035 284 R CB -0.220 29.965 30.300 -0.193 0.000 0.857 284 R HN 0.064 nan 8.270 nan 0.000 0.475 285 R N 1.673 122.095 120.500 -0.130 0.000 2.066 285 R HA 0.016 4.356 4.340 0.000 0.000 0.224 285 R C 1.439 177.693 176.300 -0.077 0.000 1.122 285 R CA 1.006 57.055 56.100 -0.084 0.000 0.974 285 R CB 0.042 30.318 30.300 -0.040 0.000 0.871 285 R HN 0.182 nan 8.270 nan 0.000 0.435 286 K N 0.356 120.717 120.400 -0.066 0.000 2.103 286 K HA -0.111 4.209 4.320 0.000 0.000 0.207 286 K C 2.072 178.634 176.600 -0.063 0.000 1.048 286 K CA 1.517 57.771 56.287 -0.055 0.000 0.930 286 K CB -0.124 32.350 32.500 -0.043 0.000 0.716 286 K HN 0.227 nan 8.250 nan 0.000 0.444 287 A N 1.379 124.156 122.820 -0.071 0.000 1.855 287 A HA -0.138 4.182 4.320 0.000 0.000 0.215 287 A C 2.158 179.694 177.584 -0.080 0.000 1.191 287 A CA 1.408 53.404 52.037 -0.070 0.000 0.613 287 A CB -0.438 18.518 19.000 -0.073 0.000 0.829 287 A HN 0.155 nan 8.150 nan 0.000 0.442 288 M N -0.745 118.796 119.600 -0.098 0.000 2.159 288 M HA -0.082 4.398 4.480 0.000 0.000 0.263 288 M C 2.203 178.414 176.300 -0.149 0.000 1.063 288 M CA 1.202 56.428 55.300 -0.123 0.000 1.110 288 M CB -0.452 32.063 32.600 -0.142 0.000 1.374 288 M HN 0.416 nan 8.290 nan 0.000 0.411 289 L N 0.090 121.232 121.223 -0.135 0.000 2.079 289 L HA -0.271 4.069 4.340 0.000 0.000 0.210 289 L C 2.657 179.471 176.870 -0.095 0.000 1.081 289 L CA 1.436 56.199 54.840 -0.129 0.000 0.752 289 L CB -0.279 41.726 42.059 -0.089 0.000 0.896 289 L HN 0.336 nan 8.230 nan 0.000 0.433 290 Q N 0.091 119.847 119.800 -0.074 0.000 2.079 290 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 290 Q C 1.675 177.644 176.000 -0.052 0.000 0.974 290 Q CA 1.850 57.621 55.803 -0.054 0.000 0.840 290 Q CB -0.131 28.580 28.738 -0.045 0.000 0.898 290 Q HN 0.411 nan 8.270 nan 0.000 0.430 291 D N 0.080 120.442 120.400 -0.063 0.000 2.116 291 D HA -0.192 4.448 4.640 0.000 0.000 0.193 291 D C 1.883 178.154 176.300 -0.049 0.000 0.998 291 D CA 1.622 55.590 54.000 -0.053 0.000 0.836 291 D CB -0.312 40.452 40.800 -0.061 0.000 0.951 291 D HN 0.388 nan 8.370 nan 0.000 0.449 292 I N 1.093 121.618 120.570 -0.075 0.000 2.208 292 I HA -0.274 3.896 4.170 0.000 0.000 0.245 292 I C 2.512 178.613 176.117 -0.027 0.000 1.097 292 I CA 1.047 62.311 61.300 -0.059 0.000 1.363 292 I CB -0.336 37.594 38.000 -0.117 0.000 1.051 292 I HN -0.065 nan 8.210 nan 0.000 0.413 293 A N 0.731 123.532 122.820 -0.032 0.000 1.865 293 A HA -0.218 4.102 4.320 0.000 0.000 0.217 293 A C 2.414 179.995 177.584 -0.005 0.000 1.191 293 A CA 2.619 54.647 52.037 -0.014 0.000 0.623 293 A CB -1.189 17.799 19.000 -0.019 0.000 0.826 293 A HN 0.384 nan 8.150 nan 0.000 0.444 294 T N 0.377 114.924 114.554 -0.012 0.000 2.788 294 T HA -0.100 4.250 4.350 0.000 0.000 0.268 294 T C 1.818 176.517 174.700 -0.001 0.000 1.044 294 T CA 1.219 63.314 62.100 -0.007 0.000 1.139 294 T CB -0.283 68.578 68.868 -0.012 0.000 0.867 294 T HN 0.298 nan 8.240 nan 0.000 0.454 295 L N 2.008 123.230 121.223 -0.002 0.000 2.141 295 L HA -0.046 4.294 4.340 0.000 0.000 0.209 295 L C 2.143 179.021 176.870 0.013 0.000 1.094 295 L CA 2.133 56.976 54.840 0.005 0.000 0.763 295 L CB -1.171 40.893 42.059 0.008 0.000 0.908 295 L HN 0.444 nan 8.230 nan 0.000 0.437 296 T N -4.385 110.180 114.554 0.017 0.000 3.092 296 T HA 0.292 4.642 4.350 0.000 0.000 0.258 296 T C 1.217 175.935 174.700 0.031 0.000 1.031 296 T CA 0.316 62.432 62.100 0.026 0.000 0.925 296 T CB 0.053 68.943 68.868 0.038 0.000 1.036 296 T HN 0.493 nan 8.240 nan 0.000 0.544 297 G N 0.553 109.367 108.800 0.022 0.000 2.249 297 G HA2 0.004 3.964 3.960 0.000 0.000 0.273 297 G HA3 0.004 3.964 3.960 0.000 0.000 0.273 297 G C 0.340 175.259 174.900 0.032 0.000 1.036 297 G CA -0.150 44.964 45.100 0.024 0.000 0.824 297 G HN 1.054 nan 8.290 nan 0.000 0.504 298 G N -1.710 107.106 108.800 0.027 0.000 2.552 298 G HA2 0.745 4.705 3.960 0.000 0.000 0.324 298 G HA3 0.745 4.705 3.960 0.000 0.000 0.324 298 G C -0.421 174.485 174.900 0.010 0.000 1.217 298 G CA 0.109 45.226 45.100 0.028 0.000 0.989 298 G HN 0.577 nan 8.290 nan 0.000 0.490 299 T N 0.486 115.043 114.554 0.005 0.000 2.786 299 T HA 0.410 4.760 4.350 0.000 0.000 0.283 299 T C 0.161 174.856 174.700 -0.008 0.000 0.992 299 T CA -0.265 61.833 62.100 -0.004 0.000 0.954 299 T CB 1.569 70.433 68.868 -0.007 0.000 0.934 299 T HN 0.337 nan 8.240 nan 0.000 0.440 300 V N 4.827 124.733 119.914 -0.013 0.000 2.655 300 V HA 0.215 4.335 4.120 0.000 0.000 0.300 300 V C 0.392 176.478 176.094 -0.013 0.000 1.044 300 V CA -0.125 62.166 62.300 -0.016 0.000 1.095 300 V CB 0.323 32.133 31.823 -0.022 0.000 0.952 300 V HN 0.771 nan 8.190 nan 0.000 0.485 301 I N 5.222 125.785 120.570 -0.012 0.000 2.347 301 I HA 0.284 4.454 4.170 0.000 0.000 0.283 301 I C 0.271 176.383 176.117 -0.008 0.000 1.058 301 I CA 0.075 61.369 61.300 -0.010 0.000 1.202 301 I CB 0.962 38.956 38.000 -0.010 0.000 1.386 301 I HN 0.722 nan 8.210 nan 0.000 0.475 302 S N 3.057 118.752 115.700 -0.008 0.000 2.501 302 S HA 0.407 4.877 4.470 0.000 0.000 0.301 302 S C 0.582 175.180 174.600 -0.004 0.000 1.096 302 S CA -0.830 57.367 58.200 -0.006 0.000 1.063 302 S CB 2.235 65.430 63.200 -0.008 0.000 1.042 302 S HN 0.562 nan 8.310 nan 0.000 0.494 303 E N 1.500 121.699 120.200 -0.001 0.000 2.152 303 E HA -0.141 4.209 4.350 0.000 0.000 0.192 303 E C 1.473 178.073 176.600 -0.001 0.000 0.983 303 E CA 1.045 57.446 56.400 0.000 0.000 0.818 303 E CB -0.070 29.632 29.700 0.003 0.000 0.758 303 E HN 0.801 nan 8.360 nan 0.000 0.467 304 E N 0.955 121.154 120.200 -0.001 0.000 2.048 304 E HA -0.221 4.129 4.350 0.000 0.000 0.202 304 E C 2.020 178.618 176.600 -0.003 0.000 1.021 304 E CA 1.191 57.590 56.400 -0.001 0.000 0.825 304 E CB -0.252 29.447 29.700 -0.003 0.000 0.756 304 E HN 0.304 nan 8.360 nan 0.000 0.454 305 I N -0.001 120.566 120.570 -0.004 0.000 3.083 305 I HA -0.079 4.091 4.170 0.000 0.000 0.273 305 I C 1.342 177.456 176.117 -0.004 0.000 1.297 305 I CA 0.738 62.035 61.300 -0.005 0.000 1.452 305 I CB -0.357 37.639 38.000 -0.007 0.000 1.078 305 I HN 0.348 nan 8.210 nan 0.000 0.484 306 G N 1.084 109.882 108.800 -0.004 0.000 2.130 306 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 306 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 306 G C 0.210 175.108 174.900 -0.004 0.000 0.999 306 G CA -0.348 44.750 45.100 -0.003 0.000 0.686 306 G HN 0.242 nan 8.290 nan 0.000 0.515 307 M N 0.189 119.786 119.600 -0.005 0.000 2.255 307 M HA 0.529 5.009 4.480 0.000 0.000 0.336 307 M C 0.427 176.723 176.300 -0.006 0.000 1.135 307 M CA 0.223 55.519 55.300 -0.007 0.000 1.145 307 M CB 0.859 33.454 32.600 -0.008 0.000 1.473 307 M HN 0.246 nan 8.290 nan 0.000 0.462 308 E N 1.207 121.403 120.200 -0.007 0.000 2.256 308 E HA 0.304 4.654 4.350 0.000 0.000 0.267 308 E C 0.131 176.726 176.600 -0.009 0.000 0.892 308 E CA -0.561 55.835 56.400 -0.007 0.000 0.775 308 E CB 2.247 31.943 29.700 -0.006 0.000 1.207 308 E HN 0.631 nan 8.360 nan 0.000 0.420 309 L N 1.402 122.621 121.223 -0.008 0.000 2.093 309 L HA -0.165 4.175 4.340 0.000 0.000 0.208 309 L C 1.667 178.528 176.870 -0.015 0.000 1.085 309 L CA 1.243 56.077 54.840 -0.011 0.000 0.755 309 L CB -0.192 41.864 42.059 -0.005 0.000 0.904 309 L HN 0.566 nan 8.230 nan 0.000 0.435 310 E N 0.416 120.609 120.200 -0.012 0.000 2.160 310 E HA -0.189 4.161 4.350 0.000 0.000 0.195 310 E C 1.473 178.062 176.600 -0.018 0.000 0.991 310 E CA 1.021 57.413 56.400 -0.014 0.000 0.810 310 E CB -0.048 29.646 29.700 -0.009 0.000 0.742 310 E HN 0.345 nan 8.360 nan 0.000 0.466 311 K N 0.245 120.634 120.400 -0.017 0.000 2.469 311 K HA 0.313 4.633 4.320 0.000 0.000 0.201 311 K C -0.137 176.447 176.600 -0.026 0.000 1.028 311 K CA -0.047 56.228 56.287 -0.020 0.000 1.170 311 K CB 0.811 33.301 32.500 -0.015 0.000 0.874 311 K HN 0.003 nan 8.250 nan 0.000 0.507 312 A N 1.937 124.738 122.820 -0.032 0.000 2.328 312 A HA 0.287 4.607 4.320 0.000 0.000 0.284 312 A C 0.437 177.984 177.584 -0.061 0.000 1.160 312 A CA -0.387 51.624 52.037 -0.042 0.000 0.818 312 A CB 0.318 19.293 19.000 -0.041 0.000 1.087 312 A HN 0.245 nan 8.150 nan 0.000 0.504 313 T N 0.076 114.589 114.554 -0.069 0.000 2.949 313 T HA 0.514 4.864 4.350 0.000 0.000 0.287 313 T C 1.147 175.761 174.700 -0.143 0.000 1.034 313 T CA -0.764 61.281 62.100 -0.092 0.000 1.018 313 T CB 0.579 69.406 68.868 -0.067 0.000 1.135 313 T HN 0.353 nan 8.240 nan 0.000 0.532 314 L N -0.007 121.093 121.223 -0.205 0.000 2.129 314 L HA -0.099 4.241 4.340 0.000 0.000 0.212 314 L C 2.870 179.623 176.870 -0.195 0.000 1.087 314 L CA 1.747 56.372 54.840 -0.357 0.000 0.757 314 L CB -0.566 41.251 42.059 -0.402 0.000 0.896 314 L HN 0.874 nan 8.230 nan 0.000 0.434 315 E N -0.022 120.124 120.200 -0.090 0.000 2.268 315 E HA -0.209 4.141 4.350 0.000 0.000 0.195 315 E C 1.351 177.939 176.600 -0.019 0.000 0.995 315 E CA 0.836 57.220 56.400 -0.026 0.000 0.836 315 E CB 0.193 29.884 29.700 -0.016 0.000 0.763 315 E HN 0.473 nan 8.360 nan 0.000 0.491 316 D N -0.115 120.259 120.400 -0.044 0.000 2.289 316 D HA -0.038 4.602 4.640 0.000 0.000 0.207 316 D C 0.068 176.359 176.300 -0.015 0.000 0.966 316 D CA 0.243 54.226 54.000 -0.028 0.000 0.868 316 D CB 0.240 41.017 40.800 -0.037 0.000 0.943 316 D HN 0.123 nan 8.370 nan 0.000 0.514 317 L N 0.993 122.197 121.223 -0.032 0.000 2.426 317 L HA 0.266 4.606 4.340 0.000 0.000 0.271 317 L C 1.505 178.445 176.870 0.116 0.000 1.169 317 L CA 0.032 54.885 54.840 0.021 0.000 0.836 317 L CB 0.725 42.748 42.059 -0.060 0.000 1.112 317 L HN -0.155 nan 8.230 nan 0.000 0.465 318 G N 1.517 110.388 108.800 0.119 0.000 2.516 318 G HA2 0.465 4.425 3.960 0.000 0.000 0.276 318 G HA3 0.465 4.425 3.960 0.000 0.000 0.276 318 G C -0.846 174.150 174.900 0.161 0.000 1.390 318 G CA -0.150 45.016 45.100 0.110 0.000 1.050 318 G HN 0.572 nan 8.290 nan 0.000 0.519 319 Q N -2.650 117.202 119.800 0.086 0.000 2.545 319 Q HA 0.543 4.883 4.340 0.000 0.000 0.273 319 Q C -1.300 174.699 176.000 -0.002 0.000 0.975 319 Q CA -0.510 55.310 55.803 0.029 0.000 0.876 319 Q CB 1.969 30.714 28.738 0.012 0.000 1.472 319 Q HN 1.118 nan 8.270 nan 0.000 0.389 320 A N 1.868 124.667 122.820 -0.035 0.000 2.610 320 A HA 0.469 4.789 4.320 0.000 0.000 0.291 320 A C -0.776 176.779 177.584 -0.049 0.000 1.086 320 A CA -0.620 51.402 52.037 -0.025 0.000 0.677 320 A CB 1.520 20.520 19.000 0.000 0.000 1.278 320 A HN 0.761 nan 8.150 nan 0.000 0.414 321 K N -0.499 119.879 120.400 -0.037 0.000 2.228 321 K HA 0.056 4.376 4.320 0.000 0.000 0.202 321 K C 0.655 177.233 176.600 -0.037 0.000 1.051 321 K CA 1.162 57.423 56.287 -0.043 0.000 0.960 321 K CB 0.201 32.682 32.500 -0.031 0.000 0.743 321 K HN 0.536 nan 8.250 nan 0.000 0.458 322 R N 0.139 120.624 120.500 -0.025 0.000 2.633 322 R HA 0.160 4.500 4.340 0.000 0.000 0.255 322 R C -1.943 174.351 176.300 -0.010 0.000 1.106 322 R CA -0.552 55.536 56.100 -0.019 0.000 0.959 322 R CB 1.701 31.991 30.300 -0.016 0.000 1.259 322 R HN -0.046 nan 8.270 nan 0.000 0.453 323 V N 0.810 120.718 119.914 -0.009 0.000 2.735 323 V HA 0.863 4.983 4.120 0.000 0.000 0.310 323 V C -1.325 174.763 176.094 -0.011 0.000 1.061 323 V CA -0.606 61.690 62.300 -0.006 0.000 0.913 323 V CB 2.162 33.986 31.823 0.002 0.000 1.005 323 V HN 0.437 nan 8.190 nan 0.000 0.428 324 V N 5.782 125.683 119.914 -0.022 0.000 2.525 324 V HA 0.553 4.673 4.120 0.000 0.000 0.299 324 V C -0.294 175.780 176.094 -0.034 0.000 1.034 324 V CA -0.276 62.015 62.300 -0.015 0.000 0.863 324 V CB 1.565 33.381 31.823 -0.012 0.000 0.999 324 V HN 0.863 nan 8.190 nan 0.000 0.423 325 I N 4.492 125.065 120.570 0.006 0.000 2.412 325 I HA 0.502 4.672 4.170 0.000 0.000 0.296 325 I C 0.131 176.283 176.117 0.059 0.000 0.987 325 I CA -0.395 60.909 61.300 0.007 0.000 1.180 325 I CB 1.724 39.767 38.000 0.073 0.000 1.340 325 I HN 0.513 nan 8.210 nan 0.000 0.455 326 N N 3.729 122.387 118.700 -0.071 0.000 2.725 326 N HA 0.235 4.975 4.740 0.000 0.000 0.312 326 N C 0.770 175.988 175.510 -0.487 0.000 1.295 326 N CA -0.521 52.461 53.050 -0.114 0.000 0.914 326 N CB 1.306 39.720 38.487 -0.121 0.000 1.177 326 N HN 0.544 nan 8.380 nan 0.000 0.601 327 K N -0.126 120.025 120.400 -0.416 0.000 2.211 327 K HA -0.127 4.193 4.320 0.000 0.000 0.203 327 K C -0.611 175.653 176.600 -0.559 0.000 1.050 327 K CA 1.790 57.694 56.287 -0.639 0.000 0.945 327 K CB 0.025 32.413 32.500 -0.187 0.000 0.732 327 K HN 0.609 nan 8.250 nan 0.000 0.451 328 D N -1.381 118.808 120.400 -0.350 0.000 3.120 328 D HA 0.107 4.748 4.640 0.000 0.000 0.331 328 D C -0.854 175.335 176.300 -0.185 0.000 1.595 328 D CA -0.494 53.364 54.000 -0.237 0.000 0.771 328 D CB 0.567 41.279 40.800 -0.147 0.000 1.274 328 D HN -0.118 nan 8.370 nan 0.000 0.503 329 T N -0.427 113.992 114.554 -0.225 0.000 2.982 329 T HA 0.616 4.966 4.350 0.000 0.000 0.321 329 T C -1.474 173.043 174.700 -0.306 0.000 1.229 329 T CA -0.329 61.633 62.100 -0.230 0.000 1.044 329 T CB 1.994 70.774 68.868 -0.147 0.000 1.184 329 T HN -0.031 nan 8.240 nan 0.000 0.477 330 T N 2.138 116.383 114.554 -0.515 0.000 2.879 330 T HA 0.637 4.987 4.350 0.000 0.000 0.290 330 T C -0.788 173.606 174.700 -0.509 0.000 0.993 330 T CA -0.546 61.199 62.100 -0.591 0.000 0.975 330 T CB 1.619 69.891 68.868 -0.995 0.000 0.981 330 T HN 0.595 nan 8.240 nan 0.000 0.439 331 T N 3.724 118.140 114.554 -0.229 0.000 2.881 331 T HA 0.624 4.974 4.350 0.000 0.000 0.291 331 T C -0.616 174.070 174.700 -0.024 0.000 0.990 331 T CA -0.664 61.377 62.100 -0.098 0.000 0.976 331 T CB 0.139 68.969 68.868 -0.064 0.000 0.970 331 T HN 0.493 nan 8.240 nan 0.000 0.438 332 I N 6.369 126.964 120.570 0.042 0.000 2.325 332 I HA 0.409 4.579 4.170 0.000 0.000 0.291 332 I C -0.119 176.018 176.117 0.033 0.000 1.019 332 I CA -0.694 60.639 61.300 0.056 0.000 1.302 332 I CB 1.075 39.139 38.000 0.108 0.000 1.401 332 I HN 0.553 nan 8.210 nan 0.000 0.485 333 I N 5.914 126.493 120.570 0.015 0.000 2.362 333 I HA 0.252 4.422 4.170 0.000 0.000 0.289 333 I C -0.397 175.721 176.117 0.001 0.000 0.994 333 I CA -0.472 60.832 61.300 0.006 0.000 1.158 333 I CB 1.189 39.187 38.000 -0.003 0.000 1.315 333 I HN 0.557 nan 8.210 nan 0.000 0.451 334 D N 5.016 125.418 120.400 0.002 0.000 3.437 334 D HA -0.112 4.529 4.640 0.000 0.000 0.243 334 D C 0.128 176.428 176.300 -0.001 0.000 1.104 334 D CA 0.806 54.805 54.000 -0.002 0.000 1.009 334 D CB -0.181 40.614 40.800 -0.009 0.000 0.937 334 D HN 0.845 nan 8.370 nan 0.000 0.417 335 G N 0.548 109.352 108.800 0.006 0.000 2.432 335 G HA2 0.392 4.352 3.960 0.000 0.000 0.257 335 G HA3 0.392 4.352 3.960 0.000 0.000 0.257 335 G C 1.429 176.331 174.900 0.005 0.000 1.238 335 G CA -0.353 44.753 45.100 0.009 0.000 0.838 335 G HN 0.283 nan 8.290 nan 0.000 0.547 336 V N 2.460 122.377 119.914 0.005 0.000 2.809 336 V HA 0.021 4.141 4.120 0.000 0.000 0.256 336 V C 2.238 178.337 176.094 0.009 0.000 1.080 336 V CA 0.950 63.253 62.300 0.005 0.000 1.102 336 V CB -1.174 30.654 31.823 0.008 0.000 0.705 336 V HN 0.875 nan 8.190 nan 0.000 0.475 337 G N 1.438 110.245 108.800 0.012 0.000 2.238 337 G HA2 -0.063 3.897 3.960 0.000 0.000 0.234 337 G HA3 -0.063 3.897 3.960 0.000 0.000 0.234 337 G C 0.009 174.913 174.900 0.006 0.000 1.181 337 G CA -0.107 44.999 45.100 0.010 0.000 0.871 337 G HN 0.318 nan 8.290 nan 0.000 0.490 338 E N 1.731 121.935 120.200 0.006 0.000 2.376 338 E HA 0.004 4.354 4.350 0.000 0.000 0.266 338 E C 1.448 178.049 176.600 0.001 0.000 1.009 338 E CA -0.192 56.210 56.400 0.003 0.000 0.902 338 E CB 0.893 30.595 29.700 0.003 0.000 0.972 338 E HN 0.626 nan 8.360 nan 0.000 0.439 339 E N 2.050 122.250 120.200 0.001 0.000 2.209 339 E HA -0.222 4.128 4.350 0.000 0.000 0.196 339 E C 1.569 178.168 176.600 -0.001 0.000 0.993 339 E CA 1.184 57.584 56.400 -0.000 0.000 0.819 339 E CB 0.113 29.813 29.700 -0.001 0.000 0.745 339 E HN 0.546 nan 8.360 nan 0.000 0.477 340 A N 1.433 124.252 122.820 -0.001 0.000 1.877 340 A HA -0.085 4.235 4.320 0.000 0.000 0.216 340 A C 2.409 179.991 177.584 -0.003 0.000 1.186 340 A CA 1.867 53.903 52.037 -0.002 0.000 0.620 340 A CB -0.481 18.518 19.000 -0.001 0.000 0.822 340 A HN 0.284 nan 8.150 nan 0.000 0.443 341 A N -0.262 122.557 122.820 -0.002 0.000 1.897 341 A HA 0.017 4.337 4.320 0.000 0.000 0.215 341 A C 2.139 179.720 177.584 -0.005 0.000 1.181 341 A CA 1.344 53.379 52.037 -0.003 0.000 0.620 341 A CB -0.544 18.455 19.000 -0.002 0.000 0.821 341 A HN 0.478 nan 8.150 nan 0.000 0.443 342 I N -0.941 119.627 120.570 -0.004 0.000 2.113 342 I HA -0.267 3.903 4.170 0.000 0.000 0.238 342 I C 2.778 178.892 176.117 -0.006 0.000 1.070 342 I CA 1.787 63.084 61.300 -0.005 0.000 1.332 342 I CB -0.351 37.648 38.000 -0.002 0.000 1.044 342 I HN 0.324 nan 8.210 nan 0.000 0.402 343 Q N 1.255 121.052 119.800 -0.005 0.000 2.135 343 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 343 Q C 2.031 178.027 176.000 -0.007 0.000 0.981 343 Q CA 2.041 57.841 55.803 -0.005 0.000 0.856 343 Q CB -0.776 27.960 28.738 -0.004 0.000 0.902 343 Q HN 0.519 nan 8.270 nan 0.000 0.425 344 G N -0.289 108.507 108.800 -0.007 0.000 2.408 344 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 344 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 344 G C 1.556 176.451 174.900 -0.010 0.000 1.150 344 G CA 0.783 45.879 45.100 -0.008 0.000 0.776 344 G HN 0.348 nan 8.290 nan 0.000 0.542 345 R N 0.408 120.901 120.500 -0.011 0.000 2.091 345 R HA -0.036 4.304 4.340 0.000 0.000 0.238 345 R C 2.535 178.826 176.300 -0.016 0.000 1.136 345 R CA 1.619 57.710 56.100 -0.014 0.000 0.959 345 R CB -0.914 29.377 30.300 -0.015 0.000 0.856 345 R HN 0.199 nan 8.270 nan 0.000 0.437 346 V N 0.953 120.859 119.914 -0.014 0.000 2.332 346 V HA -0.242 3.878 4.120 0.000 0.000 0.248 346 V C 2.398 178.484 176.094 -0.014 0.000 1.055 346 V CA 1.937 64.228 62.300 -0.014 0.000 1.038 346 V CB -1.062 30.754 31.823 -0.011 0.000 0.651 346 V HN 0.566 nan 8.190 nan 0.000 0.450 347 A N -0.609 122.204 122.820 -0.012 0.000 1.883 347 A HA -0.310 4.010 4.320 0.000 0.000 0.217 347 A C 2.193 179.769 177.584 -0.013 0.000 1.186 347 A CA 2.086 54.116 52.037 -0.011 0.000 0.624 347 A CB -0.523 18.472 19.000 -0.009 0.000 0.822 347 A HN 0.634 nan 8.150 nan 0.000 0.444 348 Q N -0.535 119.256 119.800 -0.014 0.000 2.096 348 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 348 Q C 2.039 178.027 176.000 -0.019 0.000 0.982 348 Q CA 1.677 57.470 55.803 -0.016 0.000 0.850 348 Q CB -0.383 28.344 28.738 -0.017 0.000 0.901 348 Q HN 0.771 nan 8.270 nan 0.000 0.422 349 I N 0.083 120.639 120.570 -0.022 0.000 2.394 349 I HA -0.222 3.948 4.170 0.000 0.000 0.251 349 I C 2.242 178.344 176.117 -0.025 0.000 1.136 349 I CA 0.925 62.208 61.300 -0.027 0.000 1.425 349 I CB -0.207 37.775 38.000 -0.030 0.000 1.079 349 I HN 0.102 nan 8.210 nan 0.000 0.425 350 R N 0.338 120.825 120.500 -0.020 0.000 2.189 350 R HA -0.099 4.241 4.340 0.000 0.000 0.218 350 R C 2.233 178.523 176.300 -0.016 0.000 1.074 350 R CA 0.874 56.963 56.100 -0.018 0.000 0.991 350 R CB -0.023 30.269 30.300 -0.014 0.000 0.883 350 R HN 0.471 nan 8.270 nan 0.000 0.457 351 Q N -0.355 119.436 119.800 -0.015 0.000 2.212 351 Q HA -0.080 4.260 4.340 0.000 0.000 0.199 351 Q C 1.918 177.909 176.000 -0.015 0.000 0.950 351 Q CA 0.668 56.463 55.803 -0.013 0.000 0.863 351 Q CB 0.291 29.021 28.738 -0.012 0.000 0.944 351 Q HN 0.332 nan 8.270 nan 0.000 0.465 352 Q N 0.631 120.420 119.800 -0.019 0.000 2.112 352 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 352 Q C 2.112 178.099 176.000 -0.022 0.000 0.987 352 Q CA 1.220 57.010 55.803 -0.022 0.000 0.858 352 Q CB -0.309 28.411 28.738 -0.029 0.000 0.905 352 Q HN 0.482 nan 8.270 nan 0.000 0.420 353 I N 1.122 121.678 120.570 -0.023 0.000 2.454 353 I HA -0.243 3.927 4.170 0.000 0.000 0.254 353 I C 2.152 178.261 176.117 -0.015 0.000 1.156 353 I CA 0.919 62.205 61.300 -0.022 0.000 1.433 353 I CB -0.270 37.716 38.000 -0.023 0.000 1.082 353 I HN 0.154 nan 8.210 nan 0.000 0.432 354 E N 1.222 121.415 120.200 -0.012 0.000 2.021 354 E HA -0.163 4.187 4.350 0.000 0.000 0.189 354 E C 1.795 178.391 176.600 -0.007 0.000 0.980 354 E CA 1.090 57.485 56.400 -0.008 0.000 0.803 354 E CB -0.392 29.303 29.700 -0.008 0.000 0.766 354 E HN 0.570 nan 8.360 nan 0.000 0.449 355 E N 1.240 121.435 120.200 -0.008 0.000 2.515 355 E HA 0.079 4.429 4.350 0.000 0.000 0.201 355 E C 0.250 176.847 176.600 -0.004 0.000 1.071 355 E CA 0.035 56.431 56.400 -0.006 0.000 0.880 355 E CB -0.012 29.683 29.700 -0.007 0.000 0.828 355 E HN 0.083 nan 8.360 nan 0.000 0.540 356 A N 1.793 124.609 122.820 -0.006 0.000 2.491 356 A HA 0.064 4.384 4.320 0.000 0.000 0.261 356 A C 1.041 178.628 177.584 0.004 0.000 1.101 356 A CA 0.087 52.122 52.037 -0.004 0.000 0.772 356 A CB -0.112 18.883 19.000 -0.009 0.000 1.043 356 A HN 0.197 nan 8.150 nan 0.000 0.501 357 T N -0.359 114.201 114.554 0.010 0.000 3.264 357 T HA 0.490 4.840 4.350 0.000 0.000 0.257 357 T C 0.166 174.881 174.700 0.025 0.000 0.976 357 T CA 0.236 62.345 62.100 0.015 0.000 0.908 357 T CB -0.554 68.322 68.868 0.013 0.000 1.082 357 T HN 1.058 nan 8.240 nan 0.000 0.567 358 S N -0.900 114.818 115.700 0.030 0.000 2.567 358 S HA 0.333 4.803 4.470 0.000 0.000 0.270 358 S C -0.603 174.028 174.600 0.052 0.000 1.152 358 S CA -0.614 57.616 58.200 0.051 0.000 0.835 358 S CB 1.350 64.598 63.200 0.080 0.000 1.115 358 S HN 0.085 nan 8.310 nan 0.000 0.459 359 D N 0.997 121.439 120.400 0.070 0.000 2.162 359 D HA -0.007 4.633 4.640 0.000 0.000 0.205 359 D C 1.386 177.736 176.300 0.083 0.000 0.964 359 D CA 1.146 55.184 54.000 0.063 0.000 0.847 359 D CB -0.244 40.595 40.800 0.065 0.000 0.988 359 D HN 0.610 nan 8.370 nan 0.000 0.480 360 Y N 2.548 122.850 120.300 0.003 0.000 2.070 360 Y HA -0.238 4.312 4.550 0.000 0.000 0.280 360 Y C 1.513 177.411 175.900 -0.003 0.000 1.148 360 Y CA 2.014 60.117 58.100 0.004 0.000 1.125 360 Y CB -0.476 37.988 38.460 0.006 0.000 0.975 360 Y HN -0.160 nan 8.280 nan 0.000 0.492 361 D N -0.433 119.962 120.400 -0.008 0.000 2.228 361 D HA -0.185 4.455 4.640 0.000 0.000 0.203 361 D C 2.186 178.407 176.300 -0.131 0.000 0.988 361 D CA 1.482 55.417 54.000 -0.109 0.000 0.864 361 D CB -0.245 40.562 40.800 0.012 0.000 0.928 361 D HN 0.349 nan 8.370 nan 0.000 0.469 362 R N 0.378 120.830 120.500 -0.080 0.000 2.062 362 R HA -0.075 4.265 4.340 0.000 0.000 0.226 362 R C 1.643 177.888 176.300 -0.092 0.000 1.125 362 R CA 0.846 56.908 56.100 -0.064 0.000 0.966 362 R CB 0.201 30.486 30.300 -0.025 0.000 0.861 362 R HN 0.023 nan 8.270 nan 0.000 0.433 363 E N 0.878 121.011 120.200 -0.113 0.000 2.110 363 E HA -0.174 4.176 4.350 0.000 0.000 0.193 363 E C 1.799 178.303 176.600 -0.160 0.000 0.988 363 E CA 0.972 57.306 56.400 -0.111 0.000 0.804 363 E CB -0.037 29.612 29.700 -0.086 0.000 0.745 363 E HN 0.187 nan 8.360 nan 0.000 0.458 364 K N 0.642 120.874 120.400 -0.279 0.000 2.097 364 K HA -0.012 4.308 4.320 0.000 0.000 0.205 364 K C 2.377 178.881 176.600 -0.160 0.000 1.050 364 K CA 0.510 56.636 56.287 -0.269 0.000 0.938 364 K CB -0.414 31.833 32.500 -0.423 0.000 0.718 364 K HN 0.200 nan 8.250 nan 0.000 0.442 365 L N 0.925 122.067 121.223 -0.136 0.000 2.109 365 L HA -0.162 4.178 4.340 0.000 0.000 0.207 365 L C 2.535 179.366 176.870 -0.066 0.000 1.086 365 L CA 1.087 55.873 54.840 -0.089 0.000 0.760 365 L CB -0.335 41.680 42.059 -0.074 0.000 0.910 365 L HN 0.211 nan 8.230 nan 0.000 0.437 366 Q N -0.146 119.616 119.800 -0.063 0.000 2.079 366 Q HA -0.220 4.120 4.340 0.000 0.000 0.200 366 Q C 2.069 178.046 176.000 -0.037 0.000 0.974 366 Q CA 1.356 57.133 55.803 -0.043 0.000 0.840 366 Q CB -0.092 28.624 28.738 -0.036 0.000 0.898 366 Q HN 0.524 nan 8.270 nan 0.000 0.430 367 E N 0.585 120.757 120.200 -0.047 0.000 2.085 367 E HA -0.199 4.151 4.350 0.000 0.000 0.194 367 E C 2.104 178.688 176.600 -0.026 0.000 0.994 367 E CA 0.882 57.263 56.400 -0.033 0.000 0.801 367 E CB -0.015 29.661 29.700 -0.041 0.000 0.743 367 E HN 0.264 nan 8.360 nan 0.000 0.453 368 R N 0.356 120.832 120.500 -0.040 0.000 2.073 368 R HA -0.127 4.213 4.340 0.000 0.000 0.234 368 R C 2.731 179.016 176.300 -0.025 0.000 1.134 368 R CA 1.622 57.701 56.100 -0.035 0.000 0.952 368 R CB -0.650 29.620 30.300 -0.050 0.000 0.850 368 R HN 0.221 nan 8.270 nan 0.000 0.433 369 V N -1.324 118.575 119.914 -0.026 0.000 2.343 369 V HA -0.104 4.016 4.120 0.000 0.000 0.247 369 V C 2.392 178.479 176.094 -0.011 0.000 1.051 369 V CA 1.724 64.013 62.300 -0.019 0.000 1.036 369 V CB -1.143 30.668 31.823 -0.019 0.000 0.654 369 V HN 0.239 nan 8.190 nan 0.000 0.451 370 A N 0.584 123.397 122.820 -0.010 0.000 1.917 370 A HA -0.259 4.061 4.320 0.000 0.000 0.219 370 A C 2.342 179.928 177.584 0.003 0.000 1.182 370 A CA 2.539 54.574 52.037 -0.004 0.000 0.633 370 A CB -0.634 18.364 19.000 -0.003 0.000 0.819 370 A HN 0.659 nan 8.150 nan 0.000 0.448 371 K N -1.312 119.092 120.400 0.005 0.000 2.001 371 K HA -0.036 4.284 4.320 0.000 0.000 0.208 371 K C 1.933 178.541 176.600 0.013 0.000 1.048 371 K CA 1.233 57.531 56.287 0.017 0.000 0.932 371 K CB -0.336 32.179 32.500 0.025 0.000 0.715 371 K HN 0.326 nan 8.250 nan 0.000 0.437 372 L N 0.827 122.052 121.223 0.004 0.000 2.046 372 L HA -0.118 4.222 4.340 0.000 0.000 0.208 372 L C 2.129 178.999 176.870 0.001 0.000 1.077 372 L CA 1.828 56.669 54.840 0.001 0.000 0.747 372 L CB -0.676 41.378 42.059 -0.009 0.000 0.896 372 L HN 0.159 nan 8.230 nan 0.000 0.432 373 A N -1.431 121.388 122.820 -0.002 0.000 1.935 373 A HA 0.122 4.442 4.320 0.000 0.000 0.214 373 A C 2.291 179.875 177.584 0.000 0.000 1.178 373 A CA 0.936 52.972 52.037 -0.002 0.000 0.640 373 A CB -1.174 17.824 19.000 -0.004 0.000 0.825 373 A HN 0.446 nan 8.150 nan 0.000 0.447 374 G N -0.661 108.141 108.800 0.002 0.000 2.432 374 G HA2 0.311 4.271 3.960 0.000 0.000 0.219 374 G HA3 0.311 4.271 3.960 0.000 0.000 0.219 374 G C 1.227 176.130 174.900 0.004 0.000 1.135 374 G CA 0.882 45.983 45.100 0.003 0.000 0.767 374 G HN 1.665 nan 8.290 nan 0.000 0.550 375 G N -1.737 107.067 108.800 0.007 0.000 2.645 375 G HA2 -0.010 3.950 3.960 0.000 0.000 0.239 375 G HA3 -0.010 3.950 3.960 0.000 0.000 0.239 375 G C -0.619 174.285 174.900 0.008 0.000 1.331 375 G CA -0.170 44.934 45.100 0.008 0.000 0.890 375 G HN 1.095 nan 8.290 nan 0.000 0.572 376 V N 0.232 120.149 119.914 0.005 0.000 2.668 376 V HA 0.712 4.832 4.120 0.000 0.000 0.304 376 V C 0.627 176.719 176.094 -0.004 0.000 1.071 376 V CA -0.059 62.242 62.300 0.002 0.000 0.894 376 V CB 1.409 33.234 31.823 0.004 0.000 1.008 376 V HN 2.143 nan 8.190 nan 0.000 0.425 377 A N 4.442 127.258 122.820 -0.007 0.000 2.328 377 A HA 0.766 5.086 4.320 0.000 0.000 0.284 377 A C -0.518 177.057 177.584 -0.015 0.000 1.160 377 A CA -0.313 51.717 52.037 -0.011 0.000 0.818 377 A CB 0.809 19.802 19.000 -0.013 0.000 1.087 377 A HN 0.797 nan 8.150 nan 0.000 0.504 378 V N 4.726 124.632 119.914 -0.014 0.000 2.407 378 V HA 0.295 4.415 4.120 0.000 0.000 0.291 378 V C -0.256 175.828 176.094 -0.017 0.000 1.018 378 V CA -0.145 62.145 62.300 -0.016 0.000 0.842 378 V CB 1.185 33.000 31.823 -0.013 0.000 0.996 378 V HN 0.750 nan 8.190 nan 0.000 0.426 379 I N 5.052 125.610 120.570 -0.021 0.000 2.304 379 I HA 0.374 4.544 4.170 0.000 0.000 0.291 379 I C 0.253 176.359 176.117 -0.018 0.000 1.018 379 I CA -0.371 60.917 61.300 -0.020 0.000 1.260 379 I CB 1.040 39.025 38.000 -0.026 0.000 1.390 379 I HN 0.485 nan 8.210 nan 0.000 0.475 380 K N 6.148 126.540 120.400 -0.015 0.000 2.299 380 K HA 0.377 4.697 4.320 0.000 0.000 0.268 380 K C -0.630 175.963 176.600 -0.012 0.000 1.075 380 K CA -0.634 55.646 56.287 -0.013 0.000 0.936 380 K CB 1.646 34.139 32.500 -0.011 0.000 1.228 380 K HN 0.337 nan 8.250 nan 0.000 0.454 381 V N 3.004 122.911 119.914 -0.012 0.000 2.694 381 V HA -0.071 4.049 4.120 0.000 0.000 0.306 381 V C 1.519 177.608 176.094 -0.008 0.000 1.054 381 V CA 0.370 62.664 62.300 -0.010 0.000 1.161 381 V CB 0.528 32.345 31.823 -0.010 0.000 0.916 381 V HN 0.955 nan 8.190 nan 0.000 0.490 382 G N 2.959 111.754 108.800 -0.008 0.000 2.413 382 G HA2 0.430 4.390 3.960 0.000 0.000 0.300 382 G HA3 0.430 4.390 3.960 0.000 0.000 0.300 382 G C 0.304 175.200 174.900 -0.005 0.000 1.370 382 G CA 0.531 45.627 45.100 -0.006 0.000 1.110 382 G HN 1.274 nan 8.290 nan 0.000 0.596 383 A N -2.977 119.840 122.820 -0.005 0.000 3.117 383 A HA 0.847 5.167 4.320 0.000 0.000 0.158 383 A C 0.424 178.006 177.584 -0.003 0.000 1.138 383 A CA 0.963 52.998 52.037 -0.004 0.000 2.059 383 A CB -0.431 18.567 19.000 -0.004 0.000 2.607 383 A HN 2.625 nan 8.150 nan 0.000 1.059 384 A N -0.462 122.356 122.820 -0.003 0.000 2.419 384 A HA 0.546 4.866 4.320 0.000 0.000 0.262 384 A C 1.034 178.616 177.584 -0.002 0.000 1.352 384 A CA 1.292 53.328 52.037 -0.003 0.000 0.709 384 A CB -2.625 16.373 19.000 -0.003 0.000 1.150 384 A HN 3.515 nan 8.150 nan 0.000 0.329 385 T N -1.584 112.969 114.554 -0.002 0.000 0.552 385 T HA -0.084 4.266 4.350 0.000 0.000 0.773 385 T C 0.320 175.019 174.700 -0.002 0.000 0.992 385 T CA 1.492 63.591 62.100 -0.002 0.000 4.070 385 T CB -1.217 67.650 68.868 -0.001 0.000 2.299 385 T HN 1.991 nan 8.240 nan 0.000 0.397 386 E N 1.473 121.672 120.200 -0.001 0.000 2.171 386 E HA -0.137 4.213 4.350 0.000 0.000 0.197 386 E C 1.982 178.582 176.600 -0.000 0.000 0.997 386 E CA 2.093 58.492 56.400 -0.001 0.000 0.810 386 E CB -0.101 29.599 29.700 -0.001 0.000 0.738 386 E HN 0.679 nan 8.360 nan 0.000 0.467 387 V N 1.021 120.934 119.914 -0.000 0.000 2.283 387 V HA -0.225 3.895 4.120 0.000 0.000 0.243 387 V C 2.107 178.201 176.094 0.000 0.000 1.039 387 V CA 2.107 64.408 62.300 0.000 0.000 1.016 387 V CB -0.620 31.204 31.823 0.000 0.000 0.650 387 V HN 0.258 nan 8.190 nan 0.000 0.449 388 E N -0.204 119.995 120.200 -0.001 0.000 2.118 388 E HA -0.252 4.099 4.350 0.000 0.000 0.195 388 E C 2.201 178.801 176.600 -0.001 0.000 0.992 388 E CA 1.463 57.862 56.400 -0.001 0.000 0.804 388 E CB -0.261 29.438 29.700 -0.002 0.000 0.741 388 E HN 0.419 nan 8.360 nan 0.000 0.458 389 M N 1.112 120.711 119.600 -0.002 0.000 2.080 389 M HA -0.185 4.295 4.480 0.000 0.000 0.260 389 M C 1.694 177.993 176.300 -0.002 0.000 1.068 389 M CA 1.580 56.879 55.300 -0.002 0.000 1.109 389 M CB -0.160 32.439 32.600 -0.003 0.000 1.342 389 M HN -0.103 nan 8.290 nan 0.000 0.405 390 K N 0.099 120.499 120.400 -0.000 0.000 2.148 390 K HA -0.136 4.184 4.320 0.000 0.000 0.204 390 K C 1.873 178.474 176.600 0.002 0.000 1.050 390 K CA 1.028 57.316 56.287 0.001 0.000 0.942 390 K CB -0.572 31.930 32.500 0.002 0.000 0.724 390 K HN 0.512 nan 8.250 nan 0.000 0.446 391 E N 1.764 121.965 120.200 0.001 0.000 2.107 391 E HA -0.170 4.180 4.350 0.000 0.000 0.191 391 E C 1.913 178.514 176.600 0.001 0.000 0.982 391 E CA 1.073 57.474 56.400 0.002 0.000 0.809 391 E CB 0.142 29.843 29.700 0.001 0.000 0.756 391 E HN 0.202 nan 8.360 nan 0.000 0.459 392 K N 1.036 121.435 120.400 -0.001 0.000 2.062 392 K HA -0.140 4.180 4.320 0.000 0.000 0.205 392 K C 2.362 178.960 176.600 -0.003 0.000 1.051 392 K CA 1.269 57.554 56.287 -0.002 0.000 0.941 392 K CB -0.091 32.406 32.500 -0.004 0.000 0.719 392 K HN -0.074 nan 8.250 nan 0.000 0.440 393 K N 0.212 120.610 120.400 -0.003 0.000 2.152 393 K HA -0.161 4.159 4.320 0.000 0.000 0.206 393 K C 1.836 178.435 176.600 -0.001 0.000 1.048 393 K CA 1.274 57.559 56.287 -0.004 0.000 0.933 393 K CB -0.128 32.370 32.500 -0.003 0.000 0.721 393 K HN 0.246 nan 8.250 nan 0.000 0.447 394 A N 1.374 124.197 122.820 0.005 0.000 1.872 394 A HA -0.111 4.209 4.320 0.000 0.000 0.214 394 A C 2.055 179.647 177.584 0.014 0.000 1.187 394 A CA 1.186 53.230 52.037 0.013 0.000 0.614 394 A CB -0.399 18.609 19.000 0.013 0.000 0.826 394 A HN 0.311 nan 8.150 nan 0.000 0.442 395 R N -0.528 119.976 120.500 0.007 0.000 2.105 395 R HA -0.094 4.246 4.340 0.000 0.000 0.239 395 R C 2.006 178.307 176.300 0.001 0.000 1.135 395 R CA 1.448 57.552 56.100 0.006 0.000 0.967 395 R CB -0.587 29.714 30.300 0.002 0.000 0.861 395 R HN 0.400 nan 8.270 nan 0.000 0.442 396 V N 1.014 120.923 119.914 -0.008 0.000 2.295 396 V HA -0.235 3.885 4.120 0.000 0.000 0.246 396 V C 2.069 178.140 176.094 -0.039 0.000 1.049 396 V CA 1.825 64.112 62.300 -0.022 0.000 1.024 396 V CB -0.438 31.371 31.823 -0.025 0.000 0.648 396 V HN 0.321 nan 8.190 nan 0.000 0.447 397 E N -0.151 120.029 120.200 -0.033 0.000 2.085 397 E HA -0.242 4.108 4.350 0.000 0.000 0.194 397 E C 2.002 178.583 176.600 -0.032 0.000 0.994 397 E CA 1.623 57.986 56.400 -0.062 0.000 0.801 397 E CB -0.092 29.608 29.700 0.000 0.000 0.743 397 E HN 0.618 nan 8.360 nan 0.000 0.453 398 D N -0.198 120.236 120.400 0.056 0.000 2.084 398 D HA -0.121 4.520 4.640 0.000 0.000 0.196 398 D C 1.931 178.271 176.300 0.067 0.000 0.985 398 D CA 1.228 55.299 54.000 0.119 0.000 0.826 398 D CB -0.326 40.520 40.800 0.077 0.000 0.978 398 D HN 0.179 nan 8.370 nan 0.000 0.456 399 A N 1.123 123.955 122.820 0.020 0.000 1.958 399 A HA -0.204 4.116 4.320 0.000 0.000 0.221 399 A C 2.184 179.761 177.584 -0.011 0.000 1.178 399 A CA 1.197 53.238 52.037 0.006 0.000 0.642 399 A CB -0.750 18.247 19.000 -0.006 0.000 0.816 399 A HN 0.221 nan 8.150 nan 0.000 0.453 400 L N -0.739 120.446 121.223 -0.063 0.000 1.994 400 L HA -0.175 4.165 4.340 0.000 0.000 0.208 400 L C 2.442 179.256 176.870 -0.094 0.000 1.071 400 L CA 2.303 57.073 54.840 -0.117 0.000 0.745 400 L CB -0.836 41.094 42.059 -0.216 0.000 0.892 400 L HN 0.529 nan 8.230 nan 0.000 0.431 401 H N -0.476 118.592 119.070 -0.003 0.000 2.352 401 H HA -0.091 4.465 4.556 0.000 0.000 0.299 401 H C 2.109 177.437 175.328 0.001 0.000 1.097 401 H CA 1.498 57.545 56.048 -0.002 0.000 1.311 401 H CB -0.502 29.258 29.762 -0.003 0.000 1.377 401 H HN 0.512 nan 8.280 nan 0.000 0.504 402 A N 0.471 123.366 122.820 0.125 0.000 1.877 402 A HA -0.151 4.169 4.320 0.000 0.000 0.216 402 A C 2.655 180.266 177.584 0.044 0.000 1.186 402 A CA 2.130 54.208 52.037 0.069 0.000 0.620 402 A CB -0.867 18.162 19.000 0.049 0.000 0.822 402 A HN 0.410 nan 8.150 nan 0.000 0.443 403 T N -0.670 113.901 114.554 0.028 0.000 2.777 403 T HA -0.126 4.224 4.350 0.000 0.000 0.266 403 T C 2.092 176.803 174.700 0.018 0.000 1.040 403 T CA 1.637 63.746 62.100 0.015 0.000 1.141 403 T CB -0.222 68.647 68.868 0.000 0.000 0.868 403 T HN 0.476 nan 8.240 nan 0.000 0.444 404 R N 1.793 122.307 120.500 0.023 0.000 2.091 404 R HA 0.031 4.371 4.340 0.000 0.000 0.238 404 R C 2.364 178.685 176.300 0.036 0.000 1.136 404 R CA 1.781 57.897 56.100 0.027 0.000 0.959 404 R CB -0.938 29.385 30.300 0.039 0.000 0.856 404 R HN 0.359 nan 8.270 nan 0.000 0.437 405 A N -0.032 122.816 122.820 0.046 0.000 1.898 405 A HA 0.039 4.359 4.320 0.000 0.000 0.216 405 A C 2.342 179.944 177.584 0.030 0.000 1.181 405 A CA 1.547 53.609 52.037 0.041 0.000 0.620 405 A CB -0.969 18.059 19.000 0.046 0.000 0.819 405 A HN 0.470 nan 8.150 nan 0.000 0.442 406 A N -0.606 122.231 122.820 0.027 0.000 1.972 406 A HA 0.013 4.333 4.320 0.000 0.000 0.219 406 A C 2.133 179.728 177.584 0.018 0.000 1.169 406 A CA 1.703 53.752 52.037 0.021 0.000 0.635 406 A CB -0.739 18.272 19.000 0.018 0.000 0.810 406 A HN 0.374 nan 8.150 nan 0.000 0.446 407 V N -0.149 119.776 119.914 0.017 0.000 2.667 407 V HA -0.196 3.924 4.120 0.000 0.000 0.252 407 V C 2.282 178.386 176.094 0.016 0.000 1.065 407 V CA 2.062 64.371 62.300 0.014 0.000 1.083 407 V CB -0.591 31.239 31.823 0.012 0.000 0.692 407 V HN 0.637 nan 8.190 nan 0.000 0.468 408 E N -0.193 120.018 120.200 0.019 0.000 2.122 408 E HA -0.081 4.269 4.350 0.000 0.000 0.190 408 E C 1.416 178.027 176.600 0.018 0.000 0.977 408 E CA 1.015 57.427 56.400 0.020 0.000 0.820 408 E CB 0.142 29.857 29.700 0.024 0.000 0.770 408 E HN 0.651 nan 8.360 nan 0.000 0.462 409 E N -0.730 119.481 120.200 0.018 0.000 2.743 409 E HA 0.228 4.579 4.350 0.000 0.000 0.222 409 E C 0.198 176.807 176.600 0.015 0.000 0.959 409 E CA 0.091 56.501 56.400 0.016 0.000 1.198 409 E CB 1.731 31.442 29.700 0.017 0.000 1.100 409 E HN 0.216 nan 8.360 nan 0.000 0.518 410 G N 1.293 110.102 108.800 0.016 0.000 2.681 410 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 410 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 410 G C -0.311 174.598 174.900 0.016 0.000 1.353 410 G CA -0.445 44.664 45.100 0.015 0.000 0.872 410 G HN 0.553 nan 8.290 nan 0.000 0.557 411 V N -2.681 117.242 119.914 0.015 0.000 3.102 411 V HA 0.991 5.111 4.120 0.000 0.000 0.312 411 V C 0.475 176.579 176.094 0.016 0.000 1.135 411 V CA 0.125 62.434 62.300 0.015 0.000 1.022 411 V CB 1.439 33.270 31.823 0.013 0.000 1.056 411 V HN 2.464 nan 8.190 nan 0.000 0.436 412 V N -0.967 118.956 119.914 0.016 0.000 3.159 412 V HA 0.985 5.105 4.120 0.000 0.000 0.308 412 V C 0.415 176.518 176.094 0.015 0.000 1.190 412 V CA -0.748 61.562 62.300 0.017 0.000 1.037 412 V CB 1.263 33.096 31.823 0.018 0.000 1.060 412 V HN 2.096 nan 8.190 nan 0.000 0.437 413 A N 1.286 124.116 122.820 0.018 0.000 2.537 413 A HA 0.601 4.921 4.320 0.000 0.000 0.260 413 A C 0.955 178.543 177.584 0.008 0.000 1.082 413 A CA 0.721 52.766 52.037 0.013 0.000 0.765 413 A CB -0.775 18.236 19.000 0.020 0.000 1.019 413 A HN 1.909 nan 8.150 nan 0.000 0.507 414 G N 1.421 110.221 108.800 0.000 0.000 2.485 414 G HA2 0.488 4.448 3.960 0.000 0.000 0.260 414 G HA3 0.488 4.448 3.960 0.000 0.000 0.260 414 G C 1.238 176.135 174.900 -0.006 0.000 1.459 414 G CA -0.021 45.078 45.100 -0.002 0.000 1.060 414 G HN 2.207 nan 8.290 nan 0.000 0.546 415 G N -2.119 106.676 108.800 -0.007 0.000 2.187 415 G HA2 0.191 4.151 3.960 0.000 0.000 0.261 415 G HA3 0.191 4.151 3.960 0.000 0.000 0.261 415 G C 1.561 176.467 174.900 0.011 0.000 1.000 415 G CA 1.272 46.369 45.100 -0.004 0.000 0.718 415 G HN 2.481 nan 8.290 nan 0.000 0.519 416 G N -2.340 106.467 108.800 0.010 0.000 2.184 416 G HA2 -0.106 3.854 3.960 0.000 0.000 0.264 416 G HA3 -0.106 3.854 3.960 0.000 0.000 0.264 416 G C 1.877 176.788 174.900 0.018 0.000 0.975 416 G CA 1.933 47.042 45.100 0.015 0.000 0.642 416 G HN 2.229 nan 8.290 nan 0.000 0.536 417 V N -1.826 118.098 119.914 0.017 0.000 2.719 417 V HA 0.425 4.545 4.120 0.000 0.000 0.252 417 V C 2.738 178.850 176.094 0.029 0.000 1.065 417 V CA 1.927 64.240 62.300 0.023 0.000 1.086 417 V CB -0.552 31.281 31.823 0.016 0.000 0.700 417 V HN 1.393 nan 8.190 nan 0.000 0.467 418 A N 0.775 123.610 122.820 0.024 0.000 1.883 418 A HA -0.078 4.242 4.320 0.000 0.000 0.217 418 A C 2.249 179.848 177.584 0.025 0.000 1.186 418 A CA 2.257 54.310 52.037 0.026 0.000 0.624 418 A CB -0.726 18.286 19.000 0.021 0.000 0.822 418 A HN 0.586 nan 8.150 nan 0.000 0.444 419 L N -0.953 120.283 121.223 0.022 0.000 2.017 419 L HA -0.149 4.191 4.340 0.000 0.000 0.208 419 L C 2.547 179.430 176.870 0.022 0.000 1.073 419 L CA 1.577 56.429 54.840 0.020 0.000 0.745 419 L CB -0.322 41.748 42.059 0.018 0.000 0.894 419 L HN 0.534 nan 8.230 nan 0.000 0.432 420 I N -0.439 120.146 120.570 0.025 0.000 2.394 420 I HA -0.297 3.873 4.170 0.000 0.000 0.251 420 I C 2.745 178.884 176.117 0.036 0.000 1.136 420 I CA 0.932 62.249 61.300 0.028 0.000 1.425 420 I CB 0.016 38.034 38.000 0.030 0.000 1.079 420 I HN 0.193 nan 8.210 nan 0.000 0.425 421 R N 0.440 120.965 120.500 0.042 0.000 2.066 421 R HA -0.111 4.229 4.340 0.000 0.000 0.232 421 R C 2.032 178.354 176.300 0.037 0.000 1.131 421 R CA 2.086 58.215 56.100 0.049 0.000 0.955 421 R CB -1.089 29.245 30.300 0.056 0.000 0.851 421 R HN 0.252 nan 8.270 nan 0.000 0.432 422 V N 0.863 120.795 119.914 0.030 0.000 2.343 422 V HA -0.208 3.912 4.120 0.000 0.000 0.247 422 V C 2.260 178.366 176.094 0.020 0.000 1.051 422 V CA 2.017 64.331 62.300 0.023 0.000 1.036 422 V CB -0.706 31.129 31.823 0.019 0.000 0.654 422 V HN 0.585 nan 8.190 nan 0.000 0.451 423 A N 0.145 122.977 122.820 0.020 0.000 1.930 423 A HA -0.177 4.143 4.320 0.000 0.000 0.217 423 A C 2.510 180.105 177.584 0.018 0.000 1.175 423 A CA 1.923 53.970 52.037 0.017 0.000 0.627 423 A CB -0.750 18.260 19.000 0.016 0.000 0.815 423 A HN 0.709 nan 8.150 nan 0.000 0.443 424 S N 0.089 115.803 115.700 0.024 0.000 2.440 424 S HA -0.168 4.302 4.470 0.000 0.000 0.238 424 S C 1.587 176.199 174.600 0.020 0.000 1.010 424 S CA 1.560 59.775 58.200 0.024 0.000 0.972 424 S CB -0.368 62.852 63.200 0.034 0.000 0.774 424 S HN 0.634 nan 8.310 nan 0.000 0.501 425 K N 0.533 120.945 120.400 0.020 0.000 2.400 425 K HA 0.285 4.605 4.320 0.000 0.000 0.194 425 K C 0.896 177.503 176.600 0.012 0.000 1.033 425 K CA 0.321 56.618 56.287 0.016 0.000 1.021 425 K CB -0.089 32.421 32.500 0.017 0.000 0.808 425 K HN 0.424 nan 8.250 nan 0.000 0.505 426 L N 0.696 121.925 121.223 0.011 0.000 2.728 426 L HA 0.220 4.560 4.340 0.000 0.000 0.235 426 L C 1.750 178.624 176.870 0.007 0.000 1.197 426 L CA -0.312 54.533 54.840 0.008 0.000 0.992 426 L CB -0.056 42.007 42.059 0.007 0.000 1.263 426 L HN 0.049 nan 8.230 nan 0.000 0.484 427 A N -0.022 122.802 122.820 0.008 0.000 2.076 427 A HA -0.186 4.134 4.320 0.000 0.000 0.220 427 A C 1.581 179.168 177.584 0.005 0.000 1.160 427 A CA 1.636 53.678 52.037 0.007 0.000 0.653 427 A CB -0.175 18.830 19.000 0.007 0.000 0.801 427 A HN 0.396 nan 8.150 nan 0.000 0.455 428 D N -1.299 119.104 120.400 0.005 0.000 2.369 428 D HA 0.159 4.799 4.640 0.000 0.000 0.211 428 D C 0.180 176.482 176.300 0.003 0.000 1.077 428 D CA -0.307 53.695 54.000 0.003 0.000 0.842 428 D CB -0.019 40.783 40.800 0.003 0.000 0.947 428 D HN 0.341 nan 8.370 nan 0.000 0.509 429 L N 2.163 123.388 121.223 0.003 0.000 2.540 429 L HA 0.043 4.383 4.340 0.000 0.000 0.276 429 L C 0.128 177.000 176.870 0.002 0.000 1.212 429 L CA 0.652 55.493 54.840 0.002 0.000 0.893 429 L CB 0.104 42.165 42.059 0.003 0.000 1.138 429 L HN -0.217 nan 8.230 nan 0.000 0.491 430 R N 3.288 123.789 120.500 0.001 0.000 2.867 430 R HA 0.690 5.030 4.340 0.000 0.000 0.268 430 R C -0.106 176.194 176.300 0.001 0.000 1.014 430 R CA -0.300 55.801 56.100 0.001 0.000 0.946 430 R CB 1.495 31.796 30.300 0.001 0.000 1.208 430 R HN 0.801 nan 8.270 nan 0.000 0.477 431 G N -0.298 108.502 108.800 0.001 0.000 3.008 431 G HA2 0.200 4.160 3.960 0.000 0.000 0.181 431 G HA3 0.200 4.160 3.960 0.000 0.000 0.181 431 G C 0.058 174.958 174.900 0.000 0.000 1.309 431 G CA -0.188 44.912 45.100 0.000 0.000 1.009 431 G HN 0.420 nan 8.290 nan 0.000 0.584 432 Q N -0.560 119.240 119.800 0.000 0.000 2.402 432 Q HA 0.151 4.491 4.340 0.000 0.000 0.206 432 Q C -0.030 175.970 176.000 0.000 0.000 0.919 432 Q CA 0.598 56.401 55.803 0.000 0.000 0.923 432 Q CB 0.244 28.982 28.738 0.000 0.000 1.048 432 Q HN 0.624 nan 8.270 nan 0.000 0.515 433 N N -2.053 116.647 118.700 0.001 0.000 3.039 433 N HA 0.082 4.822 4.740 0.000 0.000 0.257 433 N C -0.086 175.424 175.510 0.001 0.000 1.497 433 N CA -0.611 52.439 53.050 0.001 0.000 0.861 433 N CB 0.467 38.954 38.487 0.001 0.000 1.479 433 N HN -0.361 nan 8.380 nan 0.000 0.547 434 E N -0.206 119.995 120.200 0.001 0.000 2.110 434 E HA -0.127 4.223 4.350 0.000 0.000 0.193 434 E C 0.304 176.904 176.600 0.001 0.000 0.988 434 E CA 1.111 57.512 56.400 0.001 0.000 0.804 434 E CB -0.278 29.422 29.700 0.001 0.000 0.745 434 E HN 0.563 nan 8.360 nan 0.000 0.458 435 D N 0.534 120.935 120.400 0.001 0.000 2.097 435 D HA -0.155 4.485 4.640 0.000 0.000 0.195 435 D C 1.970 178.272 176.300 0.002 0.000 0.989 435 D CA 0.906 54.907 54.000 0.002 0.000 0.827 435 D CB -0.174 40.628 40.800 0.002 0.000 0.966 435 D HN 0.275 nan 8.370 nan 0.000 0.456 436 Q N 0.119 119.920 119.800 0.002 0.000 2.170 436 Q HA -0.112 4.228 4.340 0.000 0.000 0.203 436 Q C 1.841 177.842 176.000 0.001 0.000 0.976 436 Q CA 0.740 56.544 55.803 0.001 0.000 0.858 436 Q CB 0.057 28.795 28.738 0.001 0.000 0.907 436 Q HN 0.247 nan 8.270 nan 0.000 0.433 437 N N -0.198 118.503 118.700 0.001 0.000 2.142 437 N HA -0.121 4.619 4.740 0.000 0.000 0.186 437 N C 1.842 177.354 175.510 0.002 0.000 1.023 437 N CA 1.017 54.068 53.050 0.002 0.000 0.852 437 N CB -0.245 38.243 38.487 0.001 0.000 0.998 437 N HN 0.061 nan 8.380 nan 0.000 0.424 438 V N 1.084 120.999 119.914 0.002 0.000 2.343 438 V HA -0.163 3.957 4.120 0.000 0.000 0.247 438 V C 2.495 178.591 176.094 0.003 0.000 1.051 438 V CA 2.021 64.323 62.300 0.002 0.000 1.036 438 V CB -1.294 30.530 31.823 0.002 0.000 0.654 438 V HN 0.329 nan 8.190 nan 0.000 0.451 439 G N 0.071 108.873 108.800 0.003 0.000 2.476 439 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 439 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 439 G C 1.567 176.468 174.900 0.003 0.000 1.164 439 G CA 1.244 46.346 45.100 0.003 0.000 0.768 439 G HN 0.490 nan 8.290 nan 0.000 0.560 440 I N 0.328 120.899 120.570 0.002 0.000 2.163 440 I HA -0.158 4.012 4.170 0.000 0.000 0.243 440 I C 2.685 178.804 176.117 0.003 0.000 1.085 440 I CA 1.123 62.424 61.300 0.002 0.000 1.347 440 I CB -0.153 37.848 38.000 0.002 0.000 1.044 440 I HN 0.038 nan 8.210 nan 0.000 0.408 441 K N 0.497 120.899 120.400 0.003 0.000 2.148 441 K HA -0.050 4.270 4.320 0.000 0.000 0.204 441 K C 2.116 178.719 176.600 0.004 0.000 1.050 441 K CA 0.894 57.184 56.287 0.004 0.000 0.942 441 K CB -0.523 31.979 32.500 0.004 0.000 0.724 441 K HN 0.225 nan 8.250 nan 0.000 0.446 442 V N 1.573 121.490 119.914 0.004 0.000 2.295 442 V HA -0.233 3.887 4.120 0.000 0.000 0.246 442 V C 2.459 178.557 176.094 0.005 0.000 1.049 442 V CA 1.979 64.282 62.300 0.005 0.000 1.024 442 V CB -0.706 31.119 31.823 0.005 0.000 0.648 442 V HN 0.276 nan 8.190 nan 0.000 0.447 443 A N -0.194 122.629 122.820 0.005 0.000 1.855 443 A HA -0.132 4.188 4.320 0.000 0.000 0.215 443 A C 2.190 179.778 177.584 0.006 0.000 1.191 443 A CA 1.705 53.745 52.037 0.005 0.000 0.613 443 A CB -0.580 18.422 19.000 0.003 0.000 0.829 443 A HN 0.483 nan 8.150 nan 0.000 0.442 444 L N -1.142 120.085 121.223 0.006 0.000 2.079 444 L HA -0.200 4.140 4.340 0.000 0.000 0.210 444 L C 2.826 179.701 176.870 0.008 0.000 1.081 444 L CA 1.786 56.631 54.840 0.008 0.000 0.752 444 L CB -0.523 41.541 42.059 0.008 0.000 0.896 444 L HN 0.448 nan 8.230 nan 0.000 0.433 445 R N 0.226 120.731 120.500 0.007 0.000 2.075 445 R HA -0.140 4.200 4.340 0.000 0.000 0.232 445 R C 2.387 178.691 176.300 0.007 0.000 1.126 445 R CA 1.325 57.429 56.100 0.007 0.000 0.963 445 R CB -0.198 30.106 30.300 0.006 0.000 0.858 445 R HN 0.337 nan 8.270 nan 0.000 0.435 446 A N 0.740 123.564 122.820 0.008 0.000 1.972 446 A HA -0.157 4.163 4.320 0.000 0.000 0.219 446 A C 2.067 179.657 177.584 0.010 0.000 1.169 446 A CA 1.369 53.411 52.037 0.008 0.000 0.635 446 A CB -0.417 18.588 19.000 0.009 0.000 0.810 446 A HN 0.342 nan 8.150 nan 0.000 0.446 447 M N -0.490 119.116 119.600 0.010 0.000 2.623 447 M HA -0.140 4.340 4.480 0.000 0.000 0.258 447 M C 1.262 177.570 176.300 0.012 0.000 1.067 447 M CA 1.058 56.366 55.300 0.012 0.000 1.068 447 M CB -0.258 32.349 32.600 0.012 0.000 1.409 447 M HN 0.482 nan 8.290 nan 0.000 0.504 448 E N -0.261 119.946 120.200 0.010 0.000 2.452 448 E HA 0.076 4.426 4.350 0.000 0.000 0.197 448 E C 2.031 178.634 176.600 0.006 0.000 1.022 448 E CA 0.301 56.706 56.400 0.009 0.000 0.890 448 E CB 0.162 29.866 29.700 0.007 0.000 0.918 448 E HN 0.480 nan 8.360 nan 0.000 0.496 449 A N 2.485 125.309 122.820 0.006 0.000 1.873 449 A HA -0.155 4.165 4.320 0.000 0.000 0.218 449 A C -0.328 177.259 177.584 0.005 0.000 1.193 449 A CA 1.434 53.474 52.037 0.005 0.000 0.629 449 A CB -1.503 17.502 19.000 0.007 0.000 0.826 449 A HN 0.117 nan 8.150 nan 0.000 0.447 450 P HA -0.182 nan 4.420 nan 0.000 0.214 450 P C 1.852 179.157 177.300 0.009 0.000 1.163 450 P CA 0.990 64.096 63.100 0.009 0.000 0.889 450 P CB -0.144 31.564 31.700 0.012 0.000 0.790 451 L N -0.755 120.474 121.223 0.009 0.000 1.989 451 L HA -0.226 4.114 4.340 0.000 0.000 0.211 451 L C 2.490 179.358 176.870 -0.004 0.000 1.071 451 L CA 1.933 56.779 54.840 0.009 0.000 0.749 451 L CB -0.428 41.636 42.059 0.008 0.000 0.890 451 L HN -0.107 nan 8.230 nan 0.000 0.431 452 R N -0.674 119.820 120.500 -0.010 0.000 2.103 452 R HA -0.276 4.064 4.340 0.000 0.000 0.242 452 R C 2.249 178.541 176.300 -0.013 0.000 1.142 452 R CA 1.996 58.084 56.100 -0.020 0.000 0.960 452 R CB -0.358 29.934 30.300 -0.014 0.000 0.858 452 R HN 0.380 nan 8.270 nan 0.000 0.439 453 Q N 0.963 120.761 119.800 -0.004 0.000 2.079 453 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 453 Q C 1.849 177.852 176.000 0.004 0.000 0.974 453 Q CA 1.538 57.341 55.803 -0.000 0.000 0.840 453 Q CB -0.144 28.596 28.738 0.002 0.000 0.898 453 Q HN 0.365 nan 8.270 nan 0.000 0.430 454 I N -0.676 119.900 120.570 0.010 0.000 2.208 454 I HA -0.276 3.894 4.170 0.000 0.000 0.245 454 I C 2.013 178.150 176.117 0.033 0.000 1.097 454 I CA 0.995 62.309 61.300 0.023 0.000 1.363 454 I CB -0.293 37.727 38.000 0.033 0.000 1.051 454 I HN 0.078 nan 8.210 nan 0.000 0.413 455 V N 0.599 120.523 119.914 0.016 0.000 2.343 455 V HA -0.269 3.851 4.120 0.000 0.000 0.247 455 V C 2.371 178.461 176.094 -0.006 0.000 1.051 455 V CA 1.559 63.854 62.300 -0.007 0.000 1.036 455 V CB -0.484 31.274 31.823 -0.108 0.000 0.654 455 V HN 0.352 nan 8.190 nan 0.000 0.451 456 L N 0.766 121.983 121.223 -0.010 0.000 2.046 456 L HA -0.143 4.197 4.340 0.000 0.000 0.208 456 L C 2.187 179.060 176.870 0.004 0.000 1.077 456 L CA 1.915 56.751 54.840 -0.006 0.000 0.747 456 L CB -0.836 41.219 42.059 -0.006 0.000 0.896 456 L HN 0.311 nan 8.230 nan 0.000 0.432 457 N N -1.112 117.593 118.700 0.009 0.000 2.289 457 N HA -0.163 4.577 4.740 0.000 0.000 0.184 457 N C 1.727 177.246 175.510 0.016 0.000 1.016 457 N CA 1.573 54.629 53.050 0.010 0.000 0.872 457 N CB -0.690 37.803 38.487 0.009 0.000 0.973 457 N HN 0.426 nan 8.380 nan 0.000 0.433 458 C N -0.501 118.816 119.300 0.028 0.000 2.500 458 C HA 0.224 4.684 4.460 0.000 0.000 0.273 458 C C 1.640 176.648 174.990 0.031 0.000 1.428 458 C CA 0.410 59.451 59.018 0.038 0.000 1.766 458 C CB -1.174 26.615 27.740 0.081 0.000 1.817 458 C HN 0.630 nan 8.230 nan 0.000 0.543 459 G N 0.900 109.711 108.800 0.019 0.000 2.137 459 G HA2 -0.153 3.807 3.960 0.000 0.000 0.237 459 G HA3 -0.153 3.807 3.960 0.000 0.000 0.237 459 G C -0.199 174.708 174.900 0.012 0.000 1.002 459 G CA 0.151 45.259 45.100 0.014 0.000 0.702 459 G HN 0.504 nan 8.290 nan 0.000 0.515 460 E N -0.056 120.147 120.200 0.006 0.000 2.405 460 E HA 0.468 4.818 4.350 0.000 0.000 0.249 460 E C 0.054 176.635 176.600 -0.033 0.000 1.028 460 E CA -0.731 55.662 56.400 -0.012 0.000 0.897 460 E CB 0.686 30.368 29.700 -0.030 0.000 1.262 460 E HN 0.458 nan 8.360 nan 0.000 0.442 461 E N 1.442 121.613 120.200 -0.047 0.000 2.046 461 E HA 0.164 4.514 4.350 0.000 0.000 0.279 461 E C -1.816 174.742 176.600 -0.070 0.000 0.989 461 E CA -1.686 54.688 56.400 -0.044 0.000 0.798 461 E CB 1.182 30.866 29.700 -0.027 0.000 1.086 461 E HN 0.111 nan 8.360 nan 0.000 0.399 462 P HA -0.229 nan 4.420 nan 0.000 0.215 462 P C 1.187 178.455 177.300 -0.053 0.000 1.163 462 P CA 1.248 64.309 63.100 -0.066 0.000 0.894 462 P CB 0.297 31.974 31.700 -0.039 0.000 0.791 463 S N -0.764 114.916 115.700 -0.033 0.000 2.374 463 S HA -0.147 4.323 4.470 0.000 0.000 0.227 463 S C 1.963 176.551 174.600 -0.021 0.000 1.037 463 S CA 1.638 59.826 58.200 -0.021 0.000 1.024 463 S CB -1.312 61.880 63.200 -0.014 0.000 0.861 463 S HN -0.031 nan 8.310 nan 0.000 0.456 464 V N 1.135 121.032 119.914 -0.027 0.000 2.283 464 V HA -0.100 4.020 4.120 0.000 0.000 0.243 464 V C 2.323 178.409 176.094 -0.012 0.000 1.039 464 V CA 1.353 63.642 62.300 -0.017 0.000 1.016 464 V CB -0.859 30.957 31.823 -0.013 0.000 0.650 464 V HN 0.344 nan 8.190 nan 0.000 0.449 465 V N 0.582 120.455 119.914 -0.068 0.000 2.343 465 V HA -0.249 3.871 4.120 0.000 0.000 0.247 465 V C 2.759 178.845 176.094 -0.013 0.000 1.051 465 V CA 2.031 64.274 62.300 -0.096 0.000 1.036 465 V CB -1.206 30.337 31.823 -0.466 0.000 0.654 465 V HN 0.546 nan 8.190 nan 0.000 0.451 466 A N 0.384 123.185 122.820 -0.033 0.000 1.902 466 A HA -0.285 4.035 4.320 0.000 0.000 0.217 466 A C 2.078 179.680 177.584 0.030 0.000 1.181 466 A CA 2.310 54.348 52.037 0.001 0.000 0.623 466 A CB -0.841 18.154 19.000 -0.008 0.000 0.818 466 A HN 0.598 nan 8.150 nan 0.000 0.443 467 N N -0.616 118.097 118.700 0.020 0.000 2.120 467 N HA -0.115 4.625 4.740 0.000 0.000 0.188 467 N C 1.675 177.210 175.510 0.042 0.000 1.024 467 N CA 2.270 55.334 53.050 0.023 0.000 0.852 467 N CB -0.346 38.146 38.487 0.008 0.000 1.003 467 N HN 0.408 nan 8.380 nan 0.000 0.424 468 T N -0.645 113.942 114.554 0.054 0.000 2.812 468 T HA -0.026 4.324 4.350 0.000 0.000 0.264 468 T C 1.959 176.771 174.700 0.188 0.000 1.042 468 T CA 1.049 63.184 62.100 0.058 0.000 1.140 468 T CB -0.356 68.475 68.868 -0.062 0.000 0.870 468 T HN -0.001 nan 8.240 nan 0.000 0.445 469 V N 1.656 121.697 119.914 0.212 0.000 2.343 469 V HA -0.169 3.951 4.120 0.000 0.000 0.247 469 V C 2.449 178.663 176.094 0.200 0.000 1.051 469 V CA 1.545 63.975 62.300 0.216 0.000 1.036 469 V CB -0.481 31.417 31.823 0.126 0.000 0.654 469 V HN 0.460 nan 8.190 nan 0.000 0.451 470 K N 0.134 120.608 120.400 0.125 0.000 2.148 470 K HA -0.081 4.239 4.320 0.000 0.000 0.204 470 K C 2.229 178.881 176.600 0.088 0.000 1.050 470 K CA 1.241 57.583 56.287 0.092 0.000 0.942 470 K CB -0.531 32.002 32.500 0.055 0.000 0.724 470 K HN 0.569 nan 8.250 nan 0.000 0.446 471 G N 1.178 110.032 108.800 0.089 0.000 2.432 471 G HA2 -0.143 3.817 3.960 0.000 0.000 0.219 471 G HA3 -0.143 3.817 3.960 0.000 0.000 0.219 471 G C 0.855 175.773 174.900 0.030 0.000 1.135 471 G CA 0.875 46.003 45.100 0.047 0.000 0.767 471 G HN 0.388 nan 8.290 nan 0.000 0.550 472 G N -0.204 108.654 108.800 0.097 0.000 2.531 472 G HA2 0.492 4.452 3.960 0.000 0.000 0.253 472 G HA3 0.492 4.452 3.960 0.000 0.000 0.253 472 G C -0.548 174.396 174.900 0.073 0.000 1.439 472 G CA 0.343 45.435 45.100 -0.013 0.000 1.056 472 G HN 0.420 nan 8.290 nan 0.000 0.555 473 D N -3.606 116.836 120.400 0.070 0.000 2.759 473 D HA 0.523 5.163 4.640 0.000 0.000 0.321 473 D C 0.668 177.035 176.300 0.113 0.000 1.267 473 D CA 0.449 54.500 54.000 0.084 0.000 0.933 473 D CB 0.576 41.395 40.800 0.031 0.000 1.431 473 D HN 1.687 nan 8.370 nan 0.000 0.504 474 G N 0.501 109.350 108.800 0.083 0.000 2.550 474 G HA2 -0.303 3.657 3.960 0.000 0.000 0.277 474 G HA3 -0.303 3.657 3.960 0.000 0.000 0.277 474 G C -0.041 174.921 174.900 0.104 0.000 1.190 474 G CA 0.458 45.606 45.100 0.080 0.000 0.971 474 G HN 0.740 nan 8.290 nan 0.000 0.559 475 N N 0.016 118.781 118.700 0.109 0.000 2.451 475 N HA 0.375 5.115 4.740 0.000 0.000 0.264 475 N C -0.310 175.284 175.510 0.139 0.000 1.167 475 N CA -0.102 53.007 53.050 0.099 0.000 0.898 475 N CB 0.406 38.931 38.487 0.064 0.000 1.176 475 N HN 0.547 nan 8.380 nan 0.000 0.507 476 Y N 0.955 121.289 120.300 0.057 0.000 2.436 476 Y HA 0.553 5.103 4.550 0.000 0.000 0.336 476 Y C 0.684 176.654 175.900 0.116 0.000 1.049 476 Y CA -0.235 57.915 58.100 0.083 0.000 1.294 476 Y CB 0.063 38.569 38.460 0.077 0.000 1.179 476 Y HN 0.115 nan 8.280 nan 0.000 0.520 477 G N 4.137 112.696 108.800 -0.401 0.000 2.815 477 G HA2 0.250 4.210 3.960 0.000 0.000 0.305 477 G HA3 0.250 4.210 3.960 0.000 0.000 0.305 477 G C -2.402 172.332 174.900 -0.276 0.000 1.277 477 G CA -0.900 44.031 45.100 -0.281 0.000 0.795 477 G HN 0.520 nan 8.290 nan 0.000 0.528 478 Y N 1.656 121.756 120.300 -0.334 0.000 2.356 478 Y HA 0.520 5.070 4.550 0.000 0.000 0.334 478 Y C -0.018 175.688 175.900 -0.323 0.000 0.958 478 Y CA -1.320 56.472 58.100 -0.513 0.000 1.196 478 Y CB 1.267 39.402 38.460 -0.542 0.000 1.137 478 Y HN 0.414 nan 8.280 nan 0.000 0.485 479 N N 4.909 123.202 118.700 -0.679 0.000 2.402 479 N HA 0.101 4.841 4.740 0.000 0.000 0.259 479 N C 0.640 175.685 175.510 -0.775 0.000 1.167 479 N CA 0.703 53.441 53.050 -0.519 0.000 0.949 479 N CB 1.380 39.647 38.487 -0.367 0.000 1.212 479 N HN 0.938 nan 8.380 nan 0.000 0.493 480 A N 4.094 126.627 122.820 -0.478 0.000 2.019 480 A HA -0.067 4.253 4.320 0.000 0.000 0.219 480 A C 2.066 179.510 177.584 -0.234 0.000 1.164 480 A CA 1.668 53.519 52.037 -0.311 0.000 0.644 480 A CB -0.475 18.500 19.000 -0.042 0.000 0.805 480 A HN 0.732 nan 8.150 nan 0.000 0.449 481 A N -0.140 122.558 122.820 -0.203 0.000 1.835 481 A HA -0.102 4.218 4.320 0.000 0.000 0.215 481 A C 2.439 179.932 177.584 -0.151 0.000 1.199 481 A CA 2.541 54.495 52.037 -0.137 0.000 0.615 481 A CB -1.407 17.528 19.000 -0.109 0.000 0.838 481 A HN 0.812 nan 8.150 nan 0.000 0.444 482 T N -2.850 111.590 114.554 -0.191 0.000 3.085 482 T HA 0.116 4.466 4.350 0.000 0.000 0.263 482 T C 0.329 174.904 174.700 -0.208 0.000 1.127 482 T CA 0.909 62.911 62.100 -0.163 0.000 1.103 482 T CB -0.480 68.304 68.868 -0.141 0.000 0.921 482 T HN 0.595 nan 8.240 nan 0.000 0.510 483 E N 1.204 121.177 120.200 -0.378 0.000 2.320 483 E HA -0.131 4.219 4.350 0.000 0.000 0.234 483 E C -0.818 175.570 176.600 -0.353 0.000 1.183 483 E CA 0.407 56.529 56.400 -0.464 0.000 0.713 483 E CB -0.908 28.734 29.700 -0.097 0.000 1.226 483 E HN 0.662 nan 8.360 nan 0.000 0.382 484 E N -0.404 119.504 120.200 -0.485 0.000 2.383 484 E HA 0.359 4.709 4.350 0.000 0.000 0.275 484 E C -0.652 175.772 176.600 -0.293 0.000 0.918 484 E CA -0.714 55.565 56.400 -0.203 0.000 0.764 484 E CB 1.036 30.687 29.700 -0.081 0.000 1.252 484 E HN 0.035 nan 8.360 nan 0.000 0.449 485 Y N 0.076 120.366 120.300 -0.016 0.000 2.392 485 Y HA 0.658 5.208 4.550 0.000 0.000 0.323 485 Y C 1.278 177.166 175.900 -0.019 0.000 1.291 485 Y CA 0.564 58.628 58.100 -0.060 0.000 1.345 485 Y CB 1.444 39.914 38.460 0.017 0.000 1.320 485 Y HN 0.716 nan 8.280 nan 0.000 0.518 486 G N 0.225 109.090 108.800 0.109 0.000 2.352 486 G HA2 -0.060 3.900 3.960 0.000 0.000 0.283 486 G HA3 -0.060 3.900 3.960 0.000 0.000 0.283 486 G C -1.800 173.183 174.900 0.138 0.000 1.308 486 G CA -1.196 44.020 45.100 0.193 0.000 0.892 486 G HN 0.571 nan 8.290 nan 0.000 0.504 487 N N 1.098 119.877 118.700 0.132 0.000 2.411 487 N HA 0.148 4.888 4.740 0.000 0.000 0.259 487 N C 1.792 177.323 175.510 0.035 0.000 1.103 487 N CA -0.503 52.608 53.050 0.102 0.000 0.954 487 N CB 0.790 39.331 38.487 0.090 0.000 1.085 487 N HN 0.397 nan 8.380 nan 0.000 0.485 488 M N 3.541 123.150 119.600 0.015 0.000 2.108 488 M HA -0.172 4.308 4.480 0.000 0.000 0.261 488 M C 1.637 177.934 176.300 -0.004 0.000 1.066 488 M CA 1.167 56.459 55.300 -0.013 0.000 1.107 488 M CB -0.585 32.007 32.600 -0.014 0.000 1.356 488 M HN 0.560 nan 8.290 nan 0.000 0.406 489 I N 0.208 120.785 120.570 0.013 0.000 2.202 489 I HA -0.244 3.926 4.170 0.000 0.000 0.242 489 I C 1.964 178.086 176.117 0.009 0.000 1.091 489 I CA 1.316 62.623 61.300 0.011 0.000 1.368 489 I CB -1.530 36.481 38.000 0.019 0.000 1.058 489 I HN 0.249 nan 8.210 nan 0.000 0.410 490 D N 0.888 121.297 120.400 0.015 0.000 2.123 490 D HA -0.170 4.470 4.640 0.000 0.000 0.196 490 D C 2.196 178.498 176.300 0.003 0.000 0.992 490 D CA 1.261 55.269 54.000 0.013 0.000 0.833 490 D CB -0.147 40.667 40.800 0.023 0.000 0.954 490 D HN 0.337 nan 8.370 nan 0.000 0.455 491 M N -0.381 119.216 119.600 -0.005 0.000 2.686 491 M HA 0.072 4.552 4.480 0.000 0.000 0.246 491 M C 0.959 177.245 176.300 -0.024 0.000 1.096 491 M CA 0.584 55.872 55.300 -0.021 0.000 1.076 491 M CB 0.179 32.755 32.600 -0.040 0.000 1.504 491 M HN 0.034 nan 8.290 nan 0.000 0.524 492 G N 2.297 111.088 108.800 -0.015 0.000 2.246 492 G HA2 -0.247 3.713 3.960 0.000 0.000 0.273 492 G HA3 -0.247 3.713 3.960 0.000 0.000 0.273 492 G C -0.114 174.774 174.900 -0.020 0.000 1.055 492 G CA -0.148 44.943 45.100 -0.014 0.000 0.851 492 G HN 0.543 nan 8.290 nan 0.000 0.500 493 I N 0.527 121.083 120.570 -0.024 0.000 2.428 493 I HA 0.535 4.705 4.170 0.000 0.000 0.279 493 I C 0.104 176.211 176.117 -0.017 0.000 1.040 493 I CA -0.900 60.383 61.300 -0.029 0.000 1.171 493 I CB 0.756 38.725 38.000 -0.050 0.000 1.312 493 I HN 0.223 nan 8.210 nan 0.000 0.470 494 L N 3.484 124.701 121.223 -0.009 0.000 2.479 494 L HA 0.779 5.119 4.340 0.000 0.000 0.255 494 L C -1.398 175.474 176.870 0.003 0.000 1.026 494 L CA -0.720 54.119 54.840 -0.001 0.000 0.842 494 L CB 1.600 43.661 42.059 0.003 0.000 1.444 494 L HN 0.065 nan 8.230 nan 0.000 0.409 495 D N -0.409 119.996 120.400 0.008 0.000 2.575 495 D HA 0.493 5.133 4.640 0.000 0.000 0.236 495 D C -2.794 173.515 176.300 0.015 0.000 1.075 495 D CA -1.285 52.722 54.000 0.011 0.000 0.860 495 D CB 2.460 43.267 40.800 0.012 0.000 1.475 495 D HN 0.363 nan 8.370 nan 0.000 0.474 496 P HA 0.063 nan 4.420 nan 0.000 0.267 496 P C 0.860 178.172 177.300 0.021 0.000 1.205 496 P CA 0.137 63.250 63.100 0.021 0.000 0.765 496 P CB 0.568 32.284 31.700 0.026 0.000 0.828 497 T N 2.601 117.166 114.554 0.019 0.000 2.760 497 T HA -0.244 4.107 4.350 0.000 0.000 0.269 497 T C 1.606 176.318 174.700 0.020 0.000 1.047 497 T CA 1.417 63.528 62.100 0.018 0.000 1.139 497 T CB -0.285 68.593 68.868 0.016 0.000 0.855 497 T HN 0.501 nan 8.240 nan 0.000 0.471 498 K N 0.482 120.896 120.400 0.023 0.000 2.097 498 K HA -0.062 4.258 4.320 0.000 0.000 0.206 498 K C 2.377 178.998 176.600 0.036 0.000 1.049 498 K CA 1.086 57.390 56.287 0.028 0.000 0.933 498 K CB -0.396 32.123 32.500 0.032 0.000 0.717 498 K HN 0.242 nan 8.250 nan 0.000 0.442 499 V N 0.767 120.701 119.914 0.033 0.000 2.358 499 V HA -0.202 3.918 4.120 0.000 0.000 0.246 499 V C 1.743 177.860 176.094 0.038 0.000 1.047 499 V CA 2.493 64.814 62.300 0.036 0.000 1.035 499 V CB -0.391 31.448 31.823 0.026 0.000 0.658 499 V HN 0.444 nan 8.190 nan 0.000 0.452 500 T N 0.256 114.827 114.554 0.029 0.000 2.746 500 T HA -0.184 4.166 4.350 0.000 0.000 0.267 500 T C 1.944 176.660 174.700 0.026 0.000 1.039 500 T CA 1.939 64.055 62.100 0.026 0.000 1.142 500 T CB -0.344 68.536 68.868 0.020 0.000 0.866 500 T HN 0.546 nan 8.240 nan 0.000 0.444 501 R N 0.855 121.368 120.500 0.021 0.000 2.083 501 R HA -0.092 4.248 4.340 0.000 0.000 0.237 501 R C 2.555 178.860 176.300 0.008 0.000 1.137 501 R CA 1.809 57.914 56.100 0.009 0.000 0.951 501 R CB -0.347 29.955 30.300 0.003 0.000 0.851 501 R HN 0.222 nan 8.270 nan 0.000 0.434 502 S N 0.317 116.044 115.700 0.045 0.000 2.368 502 S HA -0.087 4.383 4.470 0.000 0.000 0.224 502 S C 1.956 176.667 174.600 0.185 0.000 1.029 502 S CA 1.013 59.280 58.200 0.111 0.000 0.988 502 S CB -0.166 63.159 63.200 0.208 0.000 0.838 502 S HN 0.572 nan 8.310 nan 0.000 0.462 503 A N 1.509 124.405 122.820 0.127 0.000 1.883 503 A HA -0.088 4.232 4.320 0.000 0.000 0.217 503 A C 2.132 179.771 177.584 0.091 0.000 1.186 503 A CA 1.524 53.630 52.037 0.115 0.000 0.624 503 A CB -0.790 18.248 19.000 0.063 0.000 0.822 503 A HN 0.420 nan 8.150 nan 0.000 0.444 504 L N -0.166 121.085 121.223 0.046 0.000 1.994 504 L HA -0.189 4.151 4.340 0.000 0.000 0.208 504 L C 2.506 179.375 176.870 -0.001 0.000 1.071 504 L CA 2.423 57.276 54.840 0.021 0.000 0.745 504 L CB -0.891 41.172 42.059 0.007 0.000 0.892 504 L HN 0.520 nan 8.230 nan 0.000 0.431 505 Q N -1.838 117.931 119.800 -0.051 0.000 2.124 505 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 505 Q C 2.145 178.044 176.000 -0.168 0.000 0.977 505 Q CA 1.961 57.680 55.803 -0.141 0.000 0.850 505 Q CB -0.303 28.289 28.738 -0.243 0.000 0.901 505 Q HN 0.522 nan 8.270 nan 0.000 0.429 506 Y N 0.087 120.386 120.300 -0.002 0.000 2.263 506 Y HA -0.136 4.414 4.550 0.000 0.000 0.292 506 Y C 2.312 178.211 175.900 -0.002 0.000 1.130 506 Y CA 0.897 58.995 58.100 -0.003 0.000 1.179 506 Y CB -0.496 37.961 38.460 -0.006 0.000 0.998 506 Y HN 0.127 nan 8.280 nan 0.000 0.532 507 A N -0.025 122.878 122.820 0.138 0.000 1.855 507 A HA -0.098 4.222 4.320 0.000 0.000 0.215 507 A C 2.466 180.081 177.584 0.050 0.000 1.191 507 A CA 1.793 53.878 52.037 0.081 0.000 0.613 507 A CB -1.313 17.720 19.000 0.056 0.000 0.829 507 A HN 0.361 nan 8.150 nan 0.000 0.442 508 A N -0.718 122.119 122.820 0.027 0.000 1.978 508 A HA -0.140 4.180 4.320 0.000 0.000 0.220 508 A C 2.446 180.036 177.584 0.010 0.000 1.170 508 A CA 2.320 54.362 52.037 0.009 0.000 0.636 508 A CB -0.894 18.100 19.000 -0.009 0.000 0.810 508 A HN 0.581 nan 8.150 nan 0.000 0.448 509 S N -1.007 114.702 115.700 0.015 0.000 2.338 509 S HA -0.131 4.339 4.470 0.000 0.000 0.218 509 S C 1.972 176.596 174.600 0.039 0.000 1.032 509 S CA 1.635 59.848 58.200 0.021 0.000 0.999 509 S CB -0.622 62.599 63.200 0.033 0.000 0.905 509 S HN 0.569 nan 8.310 nan 0.000 0.439 510 V N 1.883 121.833 119.914 0.060 0.000 2.490 510 V HA -0.019 4.101 4.120 0.000 0.000 0.250 510 V C 2.556 178.670 176.094 0.033 0.000 1.061 510 V CA 2.029 64.358 62.300 0.048 0.000 1.064 510 V CB -1.057 30.797 31.823 0.052 0.000 0.670 510 V HN 0.593 nan 8.190 nan 0.000 0.461 511 A N 0.022 122.860 122.820 0.030 0.000 1.902 511 A HA -0.024 4.296 4.320 0.000 0.000 0.217 511 A C 2.367 179.962 177.584 0.018 0.000 1.181 511 A CA 1.828 53.879 52.037 0.022 0.000 0.623 511 A CB -1.370 17.642 19.000 0.020 0.000 0.818 511 A HN 0.641 nan 8.150 nan 0.000 0.443 512 G N -0.318 108.492 108.800 0.016 0.000 2.408 512 G HA2 -0.128 3.832 3.960 0.000 0.000 0.217 512 G HA3 -0.128 3.832 3.960 0.000 0.000 0.217 512 G C 1.549 176.458 174.900 0.015 0.000 1.150 512 G CA 0.959 46.067 45.100 0.013 0.000 0.776 512 G HN 0.422 nan 8.290 nan 0.000 0.542 513 L N -0.291 120.944 121.223 0.019 0.000 2.056 513 L HA -0.033 4.307 4.340 0.000 0.000 0.207 513 L C 3.107 179.989 176.870 0.020 0.000 1.078 513 L CA 1.021 55.873 54.840 0.020 0.000 0.749 513 L CB -0.328 41.745 42.059 0.023 0.000 0.901 513 L HN 0.239 nan 8.230 nan 0.000 0.433 514 M N -0.553 119.060 119.600 0.021 0.000 2.132 514 M HA -0.207 4.273 4.480 0.000 0.000 0.263 514 M C 2.270 178.581 176.300 0.019 0.000 1.065 514 M CA 1.773 57.085 55.300 0.020 0.000 1.122 514 M CB -0.314 32.298 32.600 0.021 0.000 1.365 514 M HN 0.195 nan 8.290 nan 0.000 0.411 515 I N 0.040 120.620 120.570 0.017 0.000 2.567 515 I HA -0.206 3.964 4.170 0.000 0.000 0.257 515 I C 1.561 177.688 176.117 0.016 0.000 1.184 515 I CA 1.334 62.643 61.300 0.015 0.000 1.451 515 I CB -0.561 37.447 38.000 0.013 0.000 1.089 515 I HN 0.396 nan 8.210 nan 0.000 0.441 516 T N -3.187 111.377 114.554 0.018 0.000 3.243 516 T HA 0.193 4.543 4.350 0.000 0.000 0.264 516 T C 0.383 175.097 174.700 0.024 0.000 1.000 516 T CA -0.361 61.751 62.100 0.020 0.000 0.901 516 T CB -0.293 68.585 68.868 0.017 0.000 1.083 516 T HN -0.087 nan 8.240 nan 0.000 0.559 517 T N 1.962 116.531 114.554 0.025 0.000 2.795 517 T HA 0.389 4.739 4.350 0.000 0.000 0.282 517 T C 0.472 175.193 174.700 0.035 0.000 0.980 517 T CA -0.595 61.522 62.100 0.027 0.000 1.012 517 T CB 1.801 70.682 68.868 0.023 0.000 0.936 517 T HN 0.092 nan 8.240 nan 0.000 0.457 518 E N 0.439 120.669 120.200 0.050 0.000 2.514 518 E HA 0.180 4.530 4.350 0.000 0.000 0.215 518 E C -0.024 176.642 176.600 0.109 0.000 0.946 518 E CA 0.099 56.553 56.400 0.090 0.000 1.038 518 E CB 0.842 30.611 29.700 0.115 0.000 1.069 518 E HN 0.571 nan 8.360 nan 0.000 0.503 519 C N 0.761 120.069 119.300 0.013 0.000 2.782 519 C HA 0.678 5.138 4.460 0.000 0.000 0.328 519 C C -1.287 173.621 174.990 -0.137 0.000 1.145 519 C CA -0.582 58.333 59.018 -0.171 0.000 1.358 519 C CB 0.410 28.047 27.740 -0.171 0.000 1.841 519 C HN 0.114 nan 8.230 nan 0.000 0.477 520 M N 5.139 124.636 119.600 -0.172 0.000 2.395 520 M HA 0.616 5.096 4.480 0.000 0.000 0.307 520 M C -1.117 175.233 176.300 0.083 0.000 1.091 520 M CA -0.592 54.725 55.300 0.029 0.000 0.919 520 M CB 2.148 34.878 32.600 0.218 0.000 1.662 520 M HN 0.397 nan 8.290 nan 0.000 0.440 521 V N 1.339 121.278 119.914 0.042 0.000 2.531 521 V HA 0.765 4.885 4.120 0.000 0.000 0.301 521 V C -0.374 175.673 176.094 -0.078 0.000 1.034 521 V CA -0.412 61.890 62.300 0.003 0.000 0.865 521 V CB 2.025 33.830 31.823 -0.029 0.000 0.995 521 V HN 0.950 nan 8.190 nan 0.000 0.424 522 T N 2.230 116.694 114.554 -0.150 0.000 2.821 522 T HA 0.419 4.769 4.350 0.000 0.000 0.306 522 T C -1.181 173.413 174.700 -0.177 0.000 1.313 522 T CA -0.554 61.396 62.100 -0.249 0.000 1.012 522 T CB 1.802 70.347 68.868 -0.539 0.000 1.298 522 T HN 0.696 nan 8.240 nan 0.000 0.502 523 D N 1.500 121.810 120.400 -0.149 0.000 2.382 523 D HA 0.339 4.979 4.640 0.000 0.000 0.240 523 D C -0.124 176.120 176.300 -0.093 0.000 1.146 523 D CA -0.174 53.770 54.000 -0.094 0.000 0.897 523 D CB 0.366 41.120 40.800 -0.076 0.000 1.197 523 D HN 0.189 nan 8.370 nan 0.000 0.432 524 L N 3.785 124.980 121.223 -0.046 0.000 2.416 524 L HA 0.157 4.497 4.340 0.000 0.000 0.272 524 L C -1.162 175.690 176.870 -0.030 0.000 1.161 524 L CA -1.340 53.487 54.840 -0.023 0.000 0.845 524 L CB 0.477 42.536 42.059 -0.001 0.000 1.119 524 L HN 0.422 nan 8.230 nan 0.000 0.464 525 P HA -0.141 nan 4.420 nan 0.000 0.229 525 P C -0.037 177.254 177.300 -0.015 0.000 1.150 525 P CA 1.054 64.140 63.100 -0.023 0.000 0.765 525 P CB 0.148 31.844 31.700 -0.008 0.000 0.783 526 K N 0.000 120.394 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543