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 2c7c_1_A 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 0.000 177.578 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 2.693 125.510 122.820 -0.005 0.000 2.340 3 A HA 0.727 5.048 4.320 0.002 0.000 0.268 3 A C 0.075 177.659 177.584 -0.000 0.000 1.100 3 A CA -0.245 51.793 52.037 0.002 0.000 0.803 3 A CB 0.386 19.391 19.000 0.008 0.000 1.043 3 A HN 0.611 nan 8.150 nan 0.000 0.488 4 K N 1.247 121.652 120.400 0.007 0.000 2.156 4 K HA 0.404 4.726 4.320 0.002 0.000 0.250 4 K C -0.993 175.634 176.600 0.046 0.000 0.955 4 K CA -0.637 55.655 56.287 0.009 0.000 0.855 4 K CB 1.713 34.214 32.500 0.001 0.000 1.101 4 K HN 0.791 nan 8.250 nan 0.000 0.434 5 D N 0.957 121.405 120.400 0.081 0.000 2.229 5 D HA 0.456 5.098 4.640 0.002 0.000 0.249 5 D C -1.113 175.321 176.300 0.225 0.000 1.027 5 D CA -0.538 53.568 54.000 0.177 0.000 0.923 5 D CB 1.473 42.444 40.800 0.284 0.000 1.174 5 D HN 0.232 nan 8.370 nan 0.000 0.443 6 V N -0.829 119.214 119.914 0.215 0.000 2.733 6 V HA 0.694 4.816 4.120 0.002 0.000 0.306 6 V C -1.132 175.015 176.094 0.088 0.000 1.084 6 V CA -0.808 61.571 62.300 0.131 0.000 0.905 6 V CB 1.816 33.651 31.823 0.021 0.000 1.010 6 V HN 0.474 nan 8.190 nan 0.000 0.424 7 K N 4.034 124.441 120.400 0.011 0.000 2.501 7 K HA 0.695 5.016 4.320 0.002 0.000 0.252 7 K C -1.760 174.776 176.600 -0.107 0.000 0.934 7 K CA -0.393 55.874 56.287 -0.034 0.000 0.797 7 K CB 2.762 35.109 32.500 -0.255 0.000 1.270 7 K HN 0.618 nan 8.250 nan 0.000 0.431 8 F N 0.287 120.233 119.950 -0.008 0.000 2.450 8 F HA 0.445 4.973 4.527 0.002 0.000 0.328 8 F C 1.575 177.371 175.800 -0.007 0.000 1.068 8 F CA 0.754 58.757 58.000 0.005 0.000 1.007 8 F CB 1.396 40.397 39.000 0.002 0.000 1.251 8 F HN 0.852 nan 8.300 nan 0.000 0.492 9 G N 1.721 110.647 108.800 0.210 0.000 2.686 9 G HA2 -0.531 3.430 3.960 0.002 0.000 0.329 9 G HA3 -0.531 3.430 3.960 0.002 0.000 0.329 9 G C 1.159 176.102 174.900 0.071 0.000 1.187 9 G CA 1.282 46.460 45.100 0.130 0.000 0.965 9 G HN 0.817 nan 8.290 nan 0.000 0.549 10 N N 0.994 119.725 118.700 0.052 0.000 2.006 10 N HA -0.061 4.680 4.740 0.002 0.000 0.196 10 N C 1.859 177.375 175.510 0.010 0.000 1.057 10 N CA 2.653 55.718 53.050 0.025 0.000 0.853 10 N CB -0.461 38.034 38.487 0.014 0.000 1.051 10 N HN 0.577 nan 8.380 nan 0.000 0.423 11 D N -0.245 120.151 120.400 -0.007 0.000 2.144 11 D HA -0.068 4.573 4.640 0.002 0.000 0.199 11 D C 1.847 178.107 176.300 -0.067 0.000 0.984 11 D CA 1.324 55.290 54.000 -0.057 0.000 0.834 11 D CB -0.467 40.273 40.800 -0.099 0.000 0.955 11 D HN 0.486 nan 8.370 nan 0.000 0.465 12 A N 0.995 123.800 122.820 -0.025 0.000 1.834 12 A HA -0.229 4.092 4.320 0.002 0.000 0.216 12 A C 2.135 179.744 177.584 0.042 0.000 1.203 12 A CA 1.638 53.690 52.037 0.025 0.000 0.621 12 A CB -0.605 18.417 19.000 0.037 0.000 0.841 12 A HN 0.095 nan 8.150 nan 0.000 0.446 13 R N -0.859 119.662 120.500 0.034 0.000 2.120 13 R HA -0.074 4.267 4.340 0.002 0.000 0.234 13 R C 2.039 178.355 176.300 0.027 0.000 1.123 13 R CA 1.313 57.432 56.100 0.032 0.000 0.975 13 R CB -0.546 29.771 30.300 0.030 0.000 0.866 13 R HN 0.411 nan 8.270 nan 0.000 0.446 14 V N 1.365 121.289 119.914 0.017 0.000 2.295 14 V HA -0.244 3.877 4.120 0.002 0.000 0.246 14 V C 2.278 178.384 176.094 0.020 0.000 1.049 14 V CA 1.641 63.948 62.300 0.011 0.000 1.024 14 V CB -0.313 31.509 31.823 -0.002 0.000 0.648 14 V HN 0.223 nan 8.190 nan 0.000 0.447 15 K N -0.630 119.784 120.400 0.025 0.000 2.057 15 K HA -0.089 4.232 4.320 0.002 0.000 0.206 15 K C 2.111 178.756 176.600 0.076 0.000 1.050 15 K CA 1.516 57.837 56.287 0.058 0.000 0.935 15 K CB -0.460 32.092 32.500 0.087 0.000 0.715 15 K HN 0.436 nan 8.250 nan 0.000 0.439 16 M N 0.700 120.346 119.600 0.075 0.000 2.080 16 M HA -0.221 4.260 4.480 0.002 0.000 0.260 16 M C 2.127 178.451 176.300 0.039 0.000 1.068 16 M CA 1.425 56.760 55.300 0.059 0.000 1.109 16 M CB -0.150 32.482 32.600 0.052 0.000 1.342 16 M HN 0.060 nan 8.290 nan 0.000 0.405 17 L N 0.656 121.898 121.223 0.033 0.000 2.012 17 L HA -0.217 4.125 4.340 0.002 0.000 0.210 17 L C 2.435 179.320 176.870 0.024 0.000 1.073 17 L CA 1.892 56.747 54.840 0.025 0.000 0.748 17 L CB -0.850 41.222 42.059 0.021 0.000 0.891 17 L HN 0.271 nan 8.230 nan 0.000 0.431 18 R N -0.344 120.172 120.500 0.027 0.000 2.096 18 R HA -0.175 4.167 4.340 0.002 0.000 0.240 18 R C 2.137 178.453 176.300 0.027 0.000 1.139 18 R CA 1.498 57.613 56.100 0.026 0.000 0.952 18 R CB -1.289 29.028 30.300 0.029 0.000 0.854 18 R HN 0.619 nan 8.270 nan 0.000 0.436 19 G N 0.375 109.195 108.800 0.033 0.000 2.421 19 G HA2 -0.216 3.746 3.960 0.002 0.000 0.216 19 G HA3 -0.216 3.746 3.960 0.002 0.000 0.216 19 G C 1.552 176.464 174.900 0.019 0.000 1.171 19 G CA 0.824 45.941 45.100 0.027 0.000 0.775 19 G HN 0.169 nan 8.290 nan 0.000 0.543 20 V N 1.445 121.371 119.914 0.020 0.000 2.343 20 V HA -0.250 3.872 4.120 0.002 0.000 0.247 20 V C 2.567 178.670 176.094 0.015 0.000 1.051 20 V CA 2.286 64.595 62.300 0.016 0.000 1.036 20 V CB -0.803 31.030 31.823 0.017 0.000 0.654 20 V HN 0.454 nan 8.190 nan 0.000 0.451 21 N N -0.136 118.574 118.700 0.016 0.000 2.084 21 N HA -0.151 4.591 4.740 0.002 0.000 0.190 21 N C 1.730 177.248 175.510 0.013 0.000 1.030 21 N CA 1.398 54.456 53.050 0.014 0.000 0.849 21 N CB -0.308 38.187 38.487 0.014 0.000 1.012 21 N HN 0.281 nan 8.380 nan 0.000 0.423 22 V N 1.604 121.526 119.914 0.014 0.000 2.295 22 V HA -0.181 3.941 4.120 0.002 0.000 0.246 22 V C 2.212 178.312 176.094 0.010 0.000 1.049 22 V CA 1.209 63.516 62.300 0.012 0.000 1.024 22 V CB -0.556 31.275 31.823 0.014 0.000 0.648 22 V HN 0.392 nan 8.190 nan 0.000 0.447 23 L N 0.561 121.790 121.223 0.009 0.000 1.976 23 L HA -0.129 4.213 4.340 0.002 0.000 0.209 23 L C 2.537 179.411 176.870 0.007 0.000 1.071 23 L CA 2.827 57.670 54.840 0.006 0.000 0.746 23 L CB -1.349 40.713 42.059 0.005 0.000 0.890 23 L HN 0.339 nan 8.230 nan 0.000 0.432 24 A N -0.613 122.212 122.820 0.009 0.000 1.930 24 A HA -0.215 4.107 4.320 0.002 0.000 0.217 24 A C 1.858 179.447 177.584 0.009 0.000 1.175 24 A CA 1.701 53.744 52.037 0.009 0.000 0.627 24 A CB -0.588 18.419 19.000 0.011 0.000 0.815 24 A HN 0.507 nan 8.150 nan 0.000 0.443 25 D N -0.001 120.405 120.400 0.009 0.000 2.144 25 D HA 0.009 4.651 4.640 0.002 0.000 0.200 25 D C 2.233 178.537 176.300 0.008 0.000 0.978 25 D CA 1.425 55.430 54.000 0.009 0.000 0.833 25 D CB -0.312 40.493 40.800 0.009 0.000 0.961 25 D HN 0.402 nan 8.370 nan 0.000 0.470 26 A N 0.267 123.091 122.820 0.007 0.000 1.902 26 A HA -0.140 4.182 4.320 0.002 0.000 0.217 26 A C 2.402 179.989 177.584 0.005 0.000 1.181 26 A CA 1.211 53.252 52.037 0.006 0.000 0.623 26 A CB -0.750 18.253 19.000 0.006 0.000 0.818 26 A HN 0.157 nan 8.150 nan 0.000 0.443 27 V N -0.174 119.743 119.914 0.005 0.000 2.626 27 V HA -0.217 3.905 4.120 0.002 0.000 0.252 27 V C 2.391 178.488 176.094 0.006 0.000 1.067 27 V CA 2.228 64.531 62.300 0.005 0.000 1.081 27 V CB -0.592 31.234 31.823 0.005 0.000 0.686 27 V HN 0.533 nan 8.190 nan 0.000 0.468 28 K N 0.338 120.742 120.400 0.007 0.000 2.103 28 K HA -0.062 4.259 4.320 0.002 0.000 0.204 28 K C 1.707 178.312 176.600 0.007 0.000 1.052 28 K CA 1.419 57.711 56.287 0.008 0.000 0.945 28 K CB -0.176 32.329 32.500 0.009 0.000 0.722 28 K HN 0.544 nan 8.250 nan 0.000 0.443 29 V N -0.415 119.503 119.914 0.007 0.000 3.593 29 V HA -0.012 4.110 4.120 0.002 0.000 0.275 29 V C 1.135 177.232 176.094 0.005 0.000 1.237 29 V CA 1.387 63.691 62.300 0.006 0.000 1.194 29 V CB -1.110 30.717 31.823 0.006 0.000 0.949 29 V HN 0.319 nan 8.190 nan 0.000 0.467 30 T N -3.467 111.089 114.554 0.005 0.000 3.004 30 T HA 0.359 4.711 4.350 0.002 0.000 0.266 30 T C 0.282 174.983 174.700 0.003 0.000 0.986 30 T CA -0.214 61.888 62.100 0.003 0.000 0.902 30 T CB 0.231 69.101 68.868 0.003 0.000 1.118 30 T HN 0.304 nan 8.240 nan 0.000 0.522 31 L N 3.140 124.365 121.223 0.004 0.000 2.410 31 L HA 0.581 4.923 4.340 0.002 0.000 0.273 31 L C 0.976 177.847 176.870 0.002 0.000 1.144 31 L CA 1.653 56.496 54.840 0.004 0.000 0.863 31 L CB -0.428 41.635 42.059 0.006 0.000 1.140 31 L HN 0.700 nan 8.230 nan 0.000 0.463 32 G N 4.987 113.787 108.800 -0.001 0.000 2.593 32 G HA2 -0.229 3.732 3.960 0.002 0.000 0.237 32 G HA3 -0.229 3.732 3.960 0.002 0.000 0.237 32 G C -2.152 172.742 174.900 -0.009 0.000 1.312 32 G CA -0.146 44.950 45.100 -0.005 0.000 0.896 32 G HN 0.598 nan 8.290 nan 0.000 0.574 33 P HA 0.056 nan 4.420 nan 0.000 0.211 33 P C 1.444 178.734 177.300 -0.016 0.000 1.191 33 P CA 1.685 64.772 63.100 -0.020 0.000 0.909 33 P CB -0.062 31.618 31.700 -0.033 0.000 0.770 34 K N -0.174 120.216 120.400 -0.017 0.000 2.439 34 K HA 0.085 4.407 4.320 0.002 0.000 0.197 34 K C 1.402 177.999 176.600 -0.005 0.000 1.041 34 K CA 0.212 56.492 56.287 -0.012 0.000 0.970 34 K CB -0.553 31.940 32.500 -0.012 0.000 0.773 34 K HN 0.172 nan 8.250 nan 0.000 0.479 35 G N 1.281 110.079 108.800 -0.003 0.000 2.544 35 G HA2 0.038 4.000 3.960 0.002 0.000 0.242 35 G HA3 0.038 4.000 3.960 0.002 0.000 0.242 35 G C -0.026 174.874 174.900 -0.000 0.000 1.247 35 G CA -0.349 44.752 45.100 0.000 0.000 0.840 35 G HN 0.177 nan 8.290 nan 0.000 0.578 36 R N 0.252 120.753 120.500 0.002 0.000 2.523 36 R HA 0.374 4.715 4.340 0.002 0.000 0.216 36 R C -0.338 175.964 176.300 0.002 0.000 1.279 36 R CA -0.760 55.341 56.100 0.002 0.000 1.015 36 R CB 0.385 30.687 30.300 0.002 0.000 1.756 36 R HN 0.499 nan 8.270 nan 0.000 0.528 37 N N -1.009 117.693 118.700 0.003 0.000 2.509 37 N HA 0.433 5.174 4.740 0.002 0.000 0.280 37 N C -1.415 174.097 175.510 0.004 0.000 1.306 37 N CA -0.606 52.447 53.050 0.004 0.000 0.782 37 N CB 2.022 40.511 38.487 0.004 0.000 1.493 37 N HN 0.099 nan 8.380 nan 0.000 0.498 38 V N 0.471 120.388 119.914 0.005 0.000 2.715 38 V HA 0.593 4.715 4.120 0.002 0.000 0.310 38 V C -0.379 175.719 176.094 0.006 0.000 1.054 38 V CA -0.762 61.541 62.300 0.005 0.000 0.928 38 V CB 2.139 33.965 31.823 0.005 0.000 1.007 38 V HN 0.334 nan 8.190 nan 0.000 0.437 39 V N 4.747 124.665 119.914 0.007 0.000 2.495 39 V HA 0.512 4.634 4.120 0.002 0.000 0.298 39 V C -0.513 175.587 176.094 0.009 0.000 1.031 39 V CA -0.509 61.795 62.300 0.008 0.000 0.871 39 V CB 1.707 33.534 31.823 0.007 0.000 0.988 39 V HN 0.635 nan 8.190 nan 0.000 0.432 40 L N 3.504 124.734 121.223 0.012 0.000 2.324 40 L HA 0.491 4.832 4.340 0.002 0.000 0.274 40 L C -0.230 176.652 176.870 0.019 0.000 1.012 40 L CA -0.509 54.340 54.840 0.014 0.000 0.859 40 L CB 1.340 43.407 42.059 0.014 0.000 1.224 40 L HN 0.550 nan 8.230 nan 0.000 0.429 41 D N 3.907 124.318 120.400 0.019 0.000 2.423 41 D HA 0.255 4.896 4.640 0.002 0.000 0.238 41 D C -0.518 175.802 176.300 0.033 0.000 1.142 41 D CA 0.546 54.558 54.000 0.020 0.000 0.884 41 D CB 0.835 41.644 40.800 0.015 0.000 1.199 41 D HN 0.385 nan 8.370 nan 0.000 0.438 42 K N 0.582 121.004 120.400 0.035 0.000 2.546 42 K HA 0.249 4.570 4.320 0.002 0.000 0.264 42 K C 0.065 176.683 176.600 0.031 0.000 0.937 42 K CA -0.624 55.701 56.287 0.063 0.000 0.833 42 K CB 1.787 34.339 32.500 0.086 0.000 1.378 42 K HN 0.330 nan 8.250 nan 0.000 0.432 43 S N 0.009 115.722 115.700 0.023 0.000 2.502 43 S HA 0.118 4.589 4.470 0.002 0.000 0.215 43 S C 0.780 175.215 174.600 -0.276 0.000 1.009 43 S CA -0.101 58.010 58.200 -0.148 0.000 0.908 43 S CB -0.114 62.934 63.200 -0.254 0.000 0.801 43 S HN 0.500 nan 8.310 nan 0.000 0.505 44 F N 2.643 122.592 119.950 -0.002 0.000 2.668 44 F HA 0.607 5.136 4.527 0.002 0.000 0.297 44 F C 1.319 177.119 175.800 -0.001 0.000 1.124 44 F CA 0.112 58.112 58.000 -0.002 0.000 1.353 44 F CB 0.560 39.559 39.000 -0.002 0.000 0.992 44 F HN 0.491 nan 8.300 nan 0.000 0.524 45 G N -0.430 108.432 108.800 0.104 0.000 2.341 45 G HA2 0.434 4.396 3.960 0.002 0.000 0.293 45 G HA3 0.434 4.396 3.960 0.002 0.000 0.293 45 G C -1.502 173.422 174.900 0.040 0.000 1.298 45 G CA -0.563 44.578 45.100 0.068 0.000 0.868 45 G HN 0.204 nan 8.290 nan 0.000 0.540 46 A N 0.313 123.151 122.820 0.031 0.000 2.462 46 A HA 0.667 4.989 4.320 0.002 0.000 0.243 46 A C -2.021 175.577 177.584 0.023 0.000 1.076 46 A CA -0.642 51.407 52.037 0.020 0.000 0.773 46 A CB -0.433 18.576 19.000 0.016 0.000 1.010 46 A HN 0.436 nan 8.150 nan 0.000 0.493 47 P HA 0.078 nan 4.420 nan 0.000 0.260 47 P C -0.396 176.914 177.300 0.016 0.000 1.185 47 P CA 0.687 63.797 63.100 0.017 0.000 0.763 47 P CB 0.175 31.881 31.700 0.011 0.000 0.776 48 T N 5.427 119.992 114.554 0.019 0.000 2.747 48 T HA 0.306 4.658 4.350 0.002 0.000 0.301 48 T C 0.681 175.389 174.700 0.013 0.000 0.952 48 T CA -0.294 61.816 62.100 0.017 0.000 0.983 48 T CB -0.417 68.463 68.868 0.020 0.000 0.930 48 T HN 0.124 nan 8.240 nan 0.000 0.494 49 I N 3.218 123.795 120.570 0.011 0.000 2.588 49 I HA 0.357 4.528 4.170 0.002 0.000 0.283 49 I C 0.978 177.100 176.117 0.009 0.000 1.119 49 I CA 0.436 61.742 61.300 0.009 0.000 1.419 49 I CB 0.602 38.607 38.000 0.008 0.000 1.394 49 I HN 0.477 nan 8.210 nan 0.000 0.562 50 T N 4.214 118.772 114.554 0.007 0.000 2.853 50 T HA 0.363 4.714 4.350 0.002 0.000 0.311 50 T C 0.122 174.825 174.700 0.005 0.000 1.307 50 T CA -0.666 61.438 62.100 0.007 0.000 1.019 50 T CB 1.447 70.319 68.868 0.007 0.000 1.264 50 T HN 0.747 nan 8.240 nan 0.000 0.497 51 K N 0.610 121.013 120.400 0.005 0.000 2.435 51 K HA 0.194 4.515 4.320 0.002 0.000 0.199 51 K C 0.157 176.759 176.600 0.002 0.000 1.153 51 K CA -0.203 56.087 56.287 0.004 0.000 0.974 51 K CB 0.405 32.907 32.500 0.004 0.000 0.997 51 K HN 0.659 nan 8.250 nan 0.000 0.547 52 D N -0.537 119.863 120.400 0.001 0.000 2.256 52 D HA 0.035 4.676 4.640 0.002 0.000 0.250 52 D C 0.734 177.031 176.300 -0.006 0.000 1.093 52 D CA 0.038 54.035 54.000 -0.004 0.000 0.882 52 D CB 1.812 42.607 40.800 -0.008 0.000 1.185 52 D HN 0.273 nan 8.370 nan 0.000 0.437 53 G N 2.562 111.359 108.800 -0.006 0.000 2.422 53 G HA2 -0.187 3.775 3.960 0.002 0.000 0.218 53 G HA3 -0.187 3.775 3.960 0.002 0.000 0.218 53 G C 1.402 176.296 174.900 -0.010 0.000 1.140 53 G CA 0.351 45.448 45.100 -0.005 0.000 0.775 53 G HN 0.452 nan 8.290 nan 0.000 0.545 54 V N 0.565 120.468 119.914 -0.018 0.000 2.591 54 V HA -0.059 4.062 4.120 0.002 0.000 0.249 54 V C 2.910 178.993 176.094 -0.019 0.000 1.053 54 V CA 2.237 64.523 62.300 -0.024 0.000 1.068 54 V CB -0.033 31.767 31.823 -0.038 0.000 0.689 54 V HN 0.355 nan 8.190 nan 0.000 0.462 55 S N -0.309 115.382 115.700 -0.015 0.000 2.368 55 S HA -0.139 4.332 4.470 0.002 0.000 0.224 55 S C 1.876 176.473 174.600 -0.004 0.000 1.029 55 S CA 1.503 59.698 58.200 -0.008 0.000 0.988 55 S CB -0.072 63.125 63.200 -0.004 0.000 0.838 55 S HN 0.451 nan 8.310 nan 0.000 0.462 56 V N 2.308 122.220 119.914 -0.003 0.000 2.223 56 V HA -0.207 3.915 4.120 0.002 0.000 0.244 56 V C 2.763 178.855 176.094 -0.003 0.000 1.045 56 V CA 1.843 64.142 62.300 -0.001 0.000 1.000 56 V CB -1.333 30.490 31.823 0.000 0.000 0.635 56 V HN 0.542 nan 8.190 nan 0.000 0.445 57 A N -0.261 122.555 122.820 -0.006 0.000 1.908 57 A HA -0.272 4.049 4.320 0.002 0.000 0.218 57 A C 2.343 179.920 177.584 -0.011 0.000 1.181 57 A CA 2.115 54.147 52.037 -0.008 0.000 0.627 57 A CB -0.611 18.383 19.000 -0.011 0.000 0.818 57 A HN 0.510 nan 8.150 nan 0.000 0.445 58 R N -0.583 119.909 120.500 -0.014 0.000 2.127 58 R HA -0.115 4.227 4.340 0.002 0.000 0.238 58 R C 1.676 177.969 176.300 -0.012 0.000 1.134 58 R CA 1.406 57.496 56.100 -0.016 0.000 0.975 58 R CB -0.149 30.140 30.300 -0.018 0.000 0.865 58 R HN 0.524 nan 8.270 nan 0.000 0.447 59 E N 0.132 120.328 120.200 -0.007 0.000 2.478 59 E HA -0.003 4.348 4.350 0.002 0.000 0.194 59 E C 0.114 176.713 176.600 -0.001 0.000 1.045 59 E CA 0.191 56.590 56.400 -0.002 0.000 0.868 59 E CB 0.314 30.016 29.700 0.003 0.000 0.885 59 E HN 0.168 nan 8.360 nan 0.000 0.505 60 I N 1.926 122.494 120.570 -0.003 0.000 2.471 60 I HA 0.133 4.305 4.170 0.002 0.000 0.286 60 I C 0.343 176.457 176.117 -0.004 0.000 1.079 60 I CA 0.405 61.705 61.300 -0.001 0.000 1.398 60 I CB 0.301 38.301 38.000 -0.000 0.000 1.403 60 I HN -0.024 nan 8.210 nan 0.000 0.530 61 E N 6.260 126.459 120.200 -0.002 0.000 2.451 61 E HA 0.422 4.773 4.350 0.002 0.000 0.295 61 E C -2.093 174.507 176.600 -0.000 0.000 0.966 61 E CA -0.612 55.785 56.400 -0.005 0.000 0.808 61 E CB 1.798 31.494 29.700 -0.007 0.000 1.242 61 E HN 0.253 nan 8.360 nan 0.000 0.412 62 L N 3.103 124.326 121.223 -0.000 0.000 2.323 62 L HA 0.363 4.704 4.340 0.002 0.000 0.265 62 L C 1.236 178.110 176.870 0.007 0.000 1.012 62 L CA -0.220 54.624 54.840 0.007 0.000 0.820 62 L CB 1.372 43.439 42.059 0.014 0.000 1.334 62 L HN 0.863 nan 8.230 nan 0.000 0.427 63 E N 0.013 120.221 120.200 0.014 0.000 2.347 63 E HA -0.124 4.227 4.350 0.002 0.000 0.196 63 E C 0.033 176.649 176.600 0.028 0.000 1.008 63 E CA 0.369 56.779 56.400 0.016 0.000 0.852 63 E CB 0.444 30.154 29.700 0.017 0.000 0.783 63 E HN 0.540 nan 8.360 nan 0.000 0.505 64 D N 0.479 120.903 120.400 0.039 0.000 2.313 64 D HA -0.003 4.638 4.640 0.002 0.000 0.239 64 D C 0.654 176.991 176.300 0.061 0.000 1.142 64 D CA -0.170 53.873 54.000 0.072 0.000 0.847 64 D CB 1.040 41.891 40.800 0.085 0.000 1.082 64 D HN -0.099 nan 8.370 nan 0.000 0.480 65 K N 3.319 123.749 120.400 0.049 0.000 2.032 65 K HA -0.144 4.177 4.320 0.002 0.000 0.209 65 K C 1.825 178.344 176.600 -0.136 0.000 1.048 65 K CA 1.225 57.456 56.287 -0.094 0.000 0.927 65 K CB -0.368 31.993 32.500 -0.232 0.000 0.712 65 K HN 0.510 nan 8.250 nan 0.000 0.441 66 F N 1.672 121.616 119.950 -0.010 0.000 2.367 66 F HA -0.026 4.501 4.527 0.001 0.000 0.298 66 F C 2.226 178.020 175.800 -0.009 0.000 1.094 66 F CA 0.780 58.773 58.000 -0.012 0.000 1.409 66 F CB -0.071 38.923 39.000 -0.011 0.000 1.064 66 F HN 0.121 nan 8.300 nan 0.000 0.528 67 E N -0.095 120.198 120.200 0.156 0.000 2.112 67 E HA -0.172 4.180 4.350 0.002 0.000 0.190 67 E C 1.646 178.268 176.600 0.038 0.000 0.979 67 E CA 0.898 57.347 56.400 0.082 0.000 0.814 67 E CB -0.321 29.419 29.700 0.067 0.000 0.762 67 E HN 0.330 nan 8.360 nan 0.000 0.460 68 N N 1.052 119.762 118.700 0.018 0.000 2.149 68 N HA -0.164 4.577 4.740 0.002 0.000 0.188 68 N C 1.808 177.301 175.510 -0.028 0.000 1.019 68 N CA 1.219 54.262 53.050 -0.011 0.000 0.857 68 N CB 0.009 38.480 38.487 -0.027 0.000 0.997 68 N HN 0.061 nan 8.380 nan 0.000 0.426 69 M N -0.671 118.903 119.600 -0.045 0.000 2.082 69 M HA -0.109 4.373 4.480 0.002 0.000 0.258 69 M C 2.222 178.512 176.300 -0.017 0.000 1.069 69 M CA 1.901 57.171 55.300 -0.050 0.000 1.102 69 M CB -0.754 31.804 32.600 -0.071 0.000 1.336 69 M HN 0.354 nan 8.290 nan 0.000 0.404 70 G N -0.280 108.525 108.800 0.008 0.000 2.433 70 G HA2 -0.153 3.808 3.960 0.002 0.000 0.216 70 G HA3 -0.153 3.808 3.960 0.002 0.000 0.216 70 G C 1.616 176.519 174.900 0.005 0.000 1.186 70 G CA 1.044 46.153 45.100 0.014 0.000 0.779 70 G HN 0.557 nan 8.290 nan 0.000 0.543 71 A N -0.084 122.738 122.820 0.004 0.000 1.908 71 A HA -0.111 4.211 4.320 0.002 0.000 0.218 71 A C 2.385 179.964 177.584 -0.010 0.000 1.181 71 A CA 2.011 54.047 52.037 -0.001 0.000 0.627 71 A CB -0.393 18.608 19.000 0.000 0.000 0.818 71 A HN 0.340 nan 8.150 nan 0.000 0.445 72 Q N -0.910 118.880 119.800 -0.017 0.000 2.119 72 Q HA -0.091 4.251 4.340 0.002 0.000 0.201 72 Q C 2.189 178.175 176.000 -0.023 0.000 0.972 72 Q CA 1.472 57.260 55.803 -0.024 0.000 0.847 72 Q CB -0.340 28.378 28.738 -0.033 0.000 0.903 72 Q HN 0.788 nan 8.270 nan 0.000 0.433 73 M N 0.037 119.626 119.600 -0.018 0.000 2.123 73 M HA -0.129 4.353 4.480 0.002 0.000 0.263 73 M C 2.216 178.509 176.300 -0.011 0.000 1.069 73 M CA 1.239 56.530 55.300 -0.015 0.000 1.133 73 M CB -0.303 32.292 32.600 -0.009 0.000 1.356 73 M HN 0.042 nan 8.290 nan 0.000 0.415 74 V N -1.424 118.487 119.914 -0.005 0.000 2.913 74 V HA -0.172 3.950 4.120 0.002 0.000 0.260 74 V C 2.008 178.096 176.094 -0.010 0.000 1.098 74 V CA 1.471 63.770 62.300 -0.002 0.000 1.121 74 V CB -1.272 30.554 31.823 0.005 0.000 0.714 74 V HN 0.451 nan 8.190 nan 0.000 0.487 75 K N 0.771 121.161 120.400 -0.017 0.000 2.209 75 K HA -0.238 4.083 4.320 0.002 0.000 0.204 75 K C 2.236 178.812 176.600 -0.040 0.000 1.048 75 K CA 1.785 58.056 56.287 -0.026 0.000 0.940 75 K CB -0.055 32.430 32.500 -0.026 0.000 0.729 75 K HN 0.701 nan 8.250 nan 0.000 0.451 76 E N -0.031 120.143 120.200 -0.043 0.000 2.072 76 E HA -0.149 4.203 4.350 0.002 0.000 0.190 76 E C 1.854 178.401 176.600 -0.089 0.000 0.982 76 E CA 0.905 57.265 56.400 -0.067 0.000 0.803 76 E CB 0.078 29.742 29.700 -0.059 0.000 0.755 76 E HN 0.178 nan 8.360 nan 0.000 0.453 77 V N 0.613 120.500 119.914 -0.045 0.000 2.343 77 V HA -0.216 3.905 4.120 0.002 0.000 0.247 77 V C 2.159 178.238 176.094 -0.025 0.000 1.051 77 V CA 2.185 64.475 62.300 -0.017 0.000 1.036 77 V CB -0.405 31.446 31.823 0.045 0.000 0.654 77 V HN 0.425 nan 8.190 nan 0.000 0.451 78 A N -0.900 121.905 122.820 -0.025 0.000 1.902 78 A HA -0.197 4.125 4.320 0.002 0.000 0.217 78 A C 2.534 180.084 177.584 -0.057 0.000 1.181 78 A CA 2.314 54.335 52.037 -0.026 0.000 0.623 78 A CB -1.087 17.901 19.000 -0.020 0.000 0.818 78 A HN 0.602 nan 8.150 nan 0.000 0.443 79 S N -0.578 115.073 115.700 -0.082 0.000 2.351 79 S HA -0.187 4.284 4.470 0.002 0.000 0.220 79 S C 2.168 176.668 174.600 -0.166 0.000 1.035 79 S CA 1.643 59.780 58.200 -0.106 0.000 1.031 79 S CB -0.290 62.849 63.200 -0.102 0.000 0.928 79 S HN 0.489 nan 8.310 nan 0.000 0.433 80 K N 1.154 121.381 120.400 -0.289 0.000 2.113 80 K HA -0.077 4.244 4.320 0.002 0.000 0.208 80 K C 2.272 178.629 176.600 -0.406 0.000 1.047 80 K CA 1.229 57.161 56.287 -0.592 0.000 0.928 80 K CB -0.820 30.978 32.500 -1.170 0.000 0.716 80 K HN 0.455 nan 8.250 nan 0.000 0.446 81 A N 1.925 124.684 122.820 -0.102 0.000 1.858 81 A HA -0.221 4.100 4.320 0.002 0.000 0.216 81 A C 2.106 179.697 177.584 0.013 0.000 1.190 81 A CA 1.849 53.951 52.037 0.109 0.000 0.617 81 A CB -0.728 18.334 19.000 0.104 0.000 0.827 81 A HN 0.447 nan 8.150 nan 0.000 0.443 82 N N -0.427 118.239 118.700 -0.057 0.000 2.106 82 N HA -0.183 4.558 4.740 0.002 0.000 0.188 82 N C 0.957 176.401 175.510 -0.111 0.000 1.029 82 N CA 1.623 54.606 53.050 -0.111 0.000 0.848 82 N CB -0.226 38.197 38.487 -0.106 0.000 1.007 82 N HN 0.373 nan 8.380 nan 0.000 0.423 83 D N 0.540 120.890 120.400 -0.084 0.000 2.178 83 D HA -0.088 4.554 4.640 0.002 0.000 0.201 83 D C 1.675 177.969 176.300 -0.010 0.000 0.980 83 D CA 0.948 54.915 54.000 -0.055 0.000 0.842 83 D CB -0.210 40.540 40.800 -0.084 0.000 0.948 83 D HN 0.413 nan 8.370 nan 0.000 0.472 84 A N 0.168 122.997 122.820 0.016 0.000 1.887 84 A HA 0.392 4.714 4.320 0.002 0.000 0.212 84 A C 1.955 179.588 177.584 0.082 0.000 1.198 84 A CA 1.501 53.593 52.037 0.091 0.000 0.628 84 A CB 0.103 19.238 19.000 0.225 0.000 0.847 84 A HN 0.215 nan 8.150 nan 0.000 0.449 85 A N -3.224 119.626 122.820 0.049 0.000 2.600 85 A HA 0.482 4.803 4.320 0.002 0.000 0.252 85 A C 1.735 179.291 177.584 -0.046 0.000 1.200 85 A CA 0.993 53.055 52.037 0.042 0.000 0.981 85 A CB -0.267 18.770 19.000 0.061 0.000 1.207 85 A HN 1.871 nan 8.150 nan 0.000 0.577 86 G N 0.175 108.838 108.800 -0.227 0.000 3.548 86 G HA2 -0.356 3.606 3.960 0.002 0.000 0.224 86 G HA3 -0.356 3.606 3.960 0.002 0.000 0.224 86 G C 0.440 175.209 174.900 -0.219 0.000 1.351 86 G CA 0.747 45.532 45.100 -0.524 0.000 0.905 86 G HN 0.629 nan 8.290 nan 0.000 0.561 87 D N 0.359 120.707 120.400 -0.087 0.000 2.539 87 D HA 0.499 5.141 4.640 0.002 0.000 0.276 87 D C 1.583 177.878 176.300 -0.008 0.000 1.206 87 D CA 1.034 55.016 54.000 -0.029 0.000 1.081 87 D CB 0.518 41.320 40.800 0.004 0.000 1.142 87 D HN 1.489 nan 8.370 nan 0.000 0.595 88 G N -0.748 108.055 108.800 0.005 0.000 2.184 88 G HA2 -0.340 3.621 3.960 0.002 0.000 0.264 88 G HA3 -0.340 3.621 3.960 0.002 0.000 0.264 88 G C 1.089 176.002 174.900 0.022 0.000 0.975 88 G CA 1.730 46.840 45.100 0.017 0.000 0.642 88 G HN 0.631 nan 8.290 nan 0.000 0.536 89 T N -2.447 112.112 114.554 0.009 0.000 2.708 89 T HA -0.124 4.228 4.350 0.002 0.000 0.266 89 T C 2.210 176.917 174.700 0.011 0.000 1.037 89 T CA 2.540 64.644 62.100 0.007 0.000 1.146 89 T CB -0.759 68.100 68.868 -0.014 0.000 0.865 89 T HN 0.331 nan 8.240 nan 0.000 0.435 90 T N 1.999 116.558 114.554 0.008 0.000 2.708 90 T HA -0.090 4.261 4.350 0.002 0.000 0.266 90 T C 2.294 177.003 174.700 0.014 0.000 1.037 90 T CA 1.859 63.965 62.100 0.009 0.000 1.146 90 T CB -1.028 67.844 68.868 0.007 0.000 0.865 90 T HN 0.559 nan 8.240 nan 0.000 0.435 91 T N 2.298 116.862 114.554 0.016 0.000 2.665 91 T HA -0.141 4.210 4.350 0.002 0.000 0.268 91 T C 2.387 177.101 174.700 0.024 0.000 1.035 91 T CA 1.349 63.459 62.100 0.018 0.000 1.151 91 T CB -0.675 68.203 68.868 0.016 0.000 0.862 91 T HN 0.450 nan 8.240 nan 0.000 0.438 92 A N 1.417 124.258 122.820 0.035 0.000 1.908 92 A HA -0.146 4.175 4.320 0.002 0.000 0.218 92 A C 2.595 180.204 177.584 0.041 0.000 1.181 92 A CA 2.186 54.255 52.037 0.052 0.000 0.627 92 A CB -1.296 17.756 19.000 0.087 0.000 0.818 92 A HN 0.509 nan 8.150 nan 0.000 0.445 93 T N -0.512 114.060 114.554 0.030 0.000 2.777 93 T HA -0.089 4.263 4.350 0.002 0.000 0.266 93 T C 1.870 176.582 174.700 0.020 0.000 1.040 93 T CA 1.420 63.534 62.100 0.022 0.000 1.141 93 T CB -0.413 68.464 68.868 0.015 0.000 0.868 93 T HN 0.139 nan 8.240 nan 0.000 0.444 94 V N 1.497 121.422 119.914 0.018 0.000 2.295 94 V HA -0.123 3.998 4.120 0.002 0.000 0.246 94 V C 2.492 178.596 176.094 0.017 0.000 1.049 94 V CA 1.503 63.812 62.300 0.016 0.000 1.024 94 V CB -0.648 31.184 31.823 0.015 0.000 0.648 94 V HN 0.419 nan 8.190 nan 0.000 0.447 95 L N -0.143 121.092 121.223 0.019 0.000 2.046 95 L HA -0.165 4.177 4.340 0.002 0.000 0.208 95 L C 2.730 179.612 176.870 0.021 0.000 1.077 95 L CA 1.604 56.455 54.840 0.018 0.000 0.747 95 L CB -0.813 41.257 42.059 0.018 0.000 0.896 95 L HN 0.359 nan 8.230 nan 0.000 0.432 96 A N 0.637 123.473 122.820 0.026 0.000 1.865 96 A HA -0.301 4.021 4.320 0.002 0.000 0.217 96 A C 2.242 179.839 177.584 0.021 0.000 1.191 96 A CA 2.034 54.087 52.037 0.027 0.000 0.623 96 A CB -0.756 18.263 19.000 0.031 0.000 0.826 96 A HN 0.629 nan 8.150 nan 0.000 0.444 97 Q N -0.634 119.178 119.800 0.019 0.000 2.170 97 Q HA 0.062 4.403 4.340 0.002 0.000 0.203 97 Q C 1.927 177.936 176.000 0.016 0.000 0.976 97 Q CA 1.784 57.597 55.803 0.017 0.000 0.858 97 Q CB -0.523 28.224 28.738 0.015 0.000 0.907 97 Q HN 0.493 nan 8.270 nan 0.000 0.433 98 A N 1.360 124.189 122.820 0.015 0.000 1.872 98 A HA -0.045 4.277 4.320 0.002 0.000 0.214 98 A C 2.147 179.739 177.584 0.014 0.000 1.187 98 A CA 1.207 53.252 52.037 0.014 0.000 0.614 98 A CB -0.564 18.444 19.000 0.013 0.000 0.826 98 A HN 0.419 nan 8.150 nan 0.000 0.442 99 I N -0.309 120.270 120.570 0.015 0.000 2.226 99 I HA -0.247 3.924 4.170 0.002 0.000 0.245 99 I C 2.266 178.393 176.117 0.015 0.000 1.100 99 I CA 1.184 62.493 61.300 0.015 0.000 1.374 99 I CB -0.361 37.648 38.000 0.016 0.000 1.057 99 I HN 0.290 nan 8.210 nan 0.000 0.413 100 I N 0.399 120.979 120.570 0.017 0.000 2.179 100 I HA -0.292 3.880 4.170 0.002 0.000 0.242 100 I C 2.584 178.711 176.117 0.016 0.000 1.088 100 I CA 1.672 62.982 61.300 0.017 0.000 1.357 100 I CB -0.564 37.447 38.000 0.018 0.000 1.051 100 I HN 0.231 nan 8.210 nan 0.000 0.409 101 T N 0.075 114.638 114.554 0.015 0.000 2.674 101 T HA -0.149 4.203 4.350 0.002 0.000 0.265 101 T C 1.798 176.506 174.700 0.013 0.000 1.039 101 T CA 1.251 63.359 62.100 0.014 0.000 1.150 101 T CB -0.167 68.709 68.868 0.013 0.000 0.864 101 T HN 0.293 nan 8.240 nan 0.000 0.427 102 E N 0.584 120.791 120.200 0.012 0.000 2.216 102 E HA 0.039 4.391 4.350 0.002 0.000 0.192 102 E C 2.503 179.110 176.600 0.012 0.000 0.988 102 E CA 0.693 57.100 56.400 0.011 0.000 0.834 102 E CB -0.558 29.148 29.700 0.010 0.000 0.772 102 E HN 0.562 nan 8.360 nan 0.000 0.479 103 G N 1.375 110.183 108.800 0.013 0.000 2.402 103 G HA2 -0.191 3.770 3.960 0.002 0.000 0.216 103 G HA3 -0.191 3.770 3.960 0.002 0.000 0.216 103 G C 1.738 176.647 174.900 0.015 0.000 1.162 103 G CA 0.252 45.360 45.100 0.014 0.000 0.777 103 G HN 0.148 nan 8.290 nan 0.000 0.539 104 L N 0.219 121.451 121.223 0.016 0.000 2.046 104 L HA -0.083 4.258 4.340 0.002 0.000 0.208 104 L C 2.827 179.706 176.870 0.015 0.000 1.077 104 L CA 1.531 56.381 54.840 0.017 0.000 0.747 104 L CB -0.325 41.744 42.059 0.017 0.000 0.896 104 L HN 0.235 nan 8.230 nan 0.000 0.432 105 K N 0.437 120.845 120.400 0.013 0.000 2.020 105 K HA -0.258 4.063 4.320 0.002 0.000 0.212 105 K C 2.105 178.712 176.600 0.011 0.000 1.050 105 K CA 1.764 58.057 56.287 0.011 0.000 0.929 105 K CB -0.141 32.365 32.500 0.010 0.000 0.714 105 K HN 0.287 nan 8.250 nan 0.000 0.443 106 A N 0.599 123.426 122.820 0.012 0.000 1.902 106 A HA -0.100 4.222 4.320 0.002 0.000 0.217 106 A C 2.264 179.855 177.584 0.013 0.000 1.181 106 A CA 1.646 53.689 52.037 0.011 0.000 0.623 106 A CB -0.605 18.401 19.000 0.011 0.000 0.818 106 A HN 0.204 nan 8.150 nan 0.000 0.443 107 V N -0.235 119.688 119.914 0.015 0.000 2.407 107 V HA -0.217 3.904 4.120 0.002 0.000 0.248 107 V C 2.975 179.080 176.094 0.019 0.000 1.055 107 V CA 1.850 64.161 62.300 0.018 0.000 1.049 107 V CB -1.031 30.804 31.823 0.020 0.000 0.662 107 V HN 0.614 nan 8.190 nan 0.000 0.455 108 A N -0.262 122.568 122.820 0.017 0.000 1.968 108 A HA 0.043 4.364 4.320 0.002 0.000 0.217 108 A C 2.399 179.991 177.584 0.013 0.000 1.169 108 A CA 1.642 53.689 52.037 0.017 0.000 0.638 108 A CB -0.558 18.451 19.000 0.015 0.000 0.812 108 A HN 0.524 nan 8.150 nan 0.000 0.446 109 A N -1.451 121.376 122.820 0.011 0.000 1.858 109 A HA 0.317 4.638 4.320 0.002 0.000 0.216 109 A C 1.887 179.476 177.584 0.010 0.000 1.190 109 A CA 2.147 54.190 52.037 0.009 0.000 0.617 109 A CB -0.674 18.331 19.000 0.008 0.000 0.827 109 A HN 1.635 nan 8.150 nan 0.000 0.443 110 G N -3.519 105.288 108.800 0.011 0.000 3.290 110 G HA2 0.100 4.061 3.960 0.002 0.000 0.220 110 G HA3 0.100 4.061 3.960 0.002 0.000 0.220 110 G C -0.022 174.885 174.900 0.012 0.000 0.940 110 G CA -0.017 45.090 45.100 0.012 0.000 0.884 110 G HN 0.183 nan 8.290 nan 0.000 0.649 111 M N 1.365 120.972 119.600 0.012 0.000 2.250 111 M HA 0.280 4.762 4.480 0.002 0.000 0.325 111 M C 0.710 177.018 176.300 0.013 0.000 1.084 111 M CA -0.371 54.936 55.300 0.011 0.000 1.161 111 M CB 0.157 32.764 32.600 0.011 0.000 1.481 111 M HN 0.202 nan 8.290 nan 0.000 0.449 112 N N 2.544 121.251 118.700 0.012 0.000 2.438 112 N HA 0.120 4.862 4.740 0.002 0.000 0.267 112 N C -2.140 173.379 175.510 0.014 0.000 1.222 112 N CA -1.538 51.520 53.050 0.013 0.000 0.930 112 N CB 0.640 39.134 38.487 0.012 0.000 1.083 112 N HN 0.253 nan 8.380 nan 0.000 0.476 113 P HA -0.086 nan 4.420 nan 0.000 0.221 113 P C 1.324 178.633 177.300 0.015 0.000 1.150 113 P CA 0.789 63.899 63.100 0.016 0.000 0.800 113 P CB 0.182 31.894 31.700 0.019 0.000 0.787 114 M N -0.193 119.416 119.600 0.014 0.000 2.132 114 M HA -0.120 4.361 4.480 0.002 0.000 0.263 114 M C 1.265 177.572 176.300 0.011 0.000 1.065 114 M CA 1.832 57.139 55.300 0.013 0.000 1.122 114 M CB -0.983 31.625 32.600 0.013 0.000 1.365 114 M HN -0.238 nan 8.290 nan 0.000 0.411 115 D N -0.508 119.899 120.400 0.011 0.000 2.194 115 D HA -0.043 4.598 4.640 0.002 0.000 0.204 115 D C 2.102 178.408 176.300 0.009 0.000 0.964 115 D CA 0.978 54.984 54.000 0.009 0.000 0.846 115 D CB -0.196 40.609 40.800 0.009 0.000 0.962 115 D HN 0.364 nan 8.370 nan 0.000 0.490 116 L N 0.786 122.015 121.223 0.011 0.000 2.012 116 L HA -0.191 4.150 4.340 0.002 0.000 0.210 116 L C 2.534 179.410 176.870 0.011 0.000 1.073 116 L CA 1.245 56.092 54.840 0.011 0.000 0.748 116 L CB -0.291 41.775 42.059 0.012 0.000 0.891 116 L HN -0.035 nan 8.230 nan 0.000 0.431 117 K N 0.152 120.559 120.400 0.012 0.000 2.026 117 K HA -0.178 4.143 4.320 0.002 0.000 0.208 117 K C 2.297 178.903 176.600 0.010 0.000 1.048 117 K CA 1.254 57.548 56.287 0.012 0.000 0.929 117 K CB 0.016 32.524 32.500 0.013 0.000 0.713 117 K HN 0.187 nan 8.250 nan 0.000 0.439 118 R N -0.545 119.960 120.500 0.009 0.000 2.117 118 R HA -0.133 4.208 4.340 0.002 0.000 0.243 118 R C 2.378 178.682 176.300 0.006 0.000 1.143 118 R CA 1.437 57.541 56.100 0.007 0.000 0.968 118 R CB -0.431 29.874 30.300 0.007 0.000 0.863 118 R HN 0.361 nan 8.270 nan 0.000 0.444 119 G N 0.931 109.735 108.800 0.007 0.000 2.394 119 G HA2 -0.182 3.780 3.960 0.002 0.000 0.214 119 G HA3 -0.182 3.780 3.960 0.002 0.000 0.214 119 G C 1.451 176.354 174.900 0.005 0.000 1.176 119 G CA 0.355 45.459 45.100 0.006 0.000 0.786 119 G HN 0.127 nan 8.290 nan 0.000 0.533 120 I N 1.188 121.762 120.570 0.006 0.000 2.099 120 I HA -0.177 3.995 4.170 0.002 0.000 0.239 120 I C 2.402 178.521 176.117 0.003 0.000 1.066 120 I CA 1.476 62.780 61.300 0.005 0.000 1.324 120 I CB -0.241 37.764 38.000 0.008 0.000 1.037 120 I HN 0.040 nan 8.210 nan 0.000 0.401 121 D N 0.718 121.121 120.400 0.004 0.000 2.104 121 D HA -0.223 4.418 4.640 0.002 0.000 0.194 121 D C 2.086 178.385 176.300 -0.001 0.000 0.994 121 D CA 1.280 55.282 54.000 0.002 0.000 0.830 121 D CB -0.268 40.535 40.800 0.005 0.000 0.959 121 D HN 0.252 nan 8.370 nan 0.000 0.452 122 K N 0.339 120.740 120.400 0.001 0.000 2.057 122 K HA -0.084 4.238 4.320 0.002 0.000 0.207 122 K C 1.996 178.595 176.600 -0.002 0.000 1.049 122 K CA 1.244 57.531 56.287 -0.000 0.000 0.931 122 K CB -0.046 32.455 32.500 0.001 0.000 0.714 122 K HN 0.056 nan 8.250 nan 0.000 0.440 123 A N 0.491 123.310 122.820 -0.001 0.000 1.898 123 A HA -0.096 4.225 4.320 0.002 0.000 0.216 123 A C 2.213 179.793 177.584 -0.006 0.000 1.181 123 A CA 1.480 53.516 52.037 -0.002 0.000 0.620 123 A CB -0.548 18.452 19.000 0.000 0.000 0.819 123 A HN 0.172 nan 8.150 nan 0.000 0.442 124 V N -0.228 119.681 119.914 -0.008 0.000 2.358 124 V HA -0.206 3.915 4.120 0.002 0.000 0.246 124 V C 2.749 178.831 176.094 -0.020 0.000 1.047 124 V CA 2.408 64.698 62.300 -0.016 0.000 1.035 124 V CB -1.168 30.644 31.823 -0.018 0.000 0.658 124 V HN 0.616 nan 8.190 nan 0.000 0.452 125 T N 0.604 115.149 114.554 -0.016 0.000 2.652 125 T HA -0.221 4.131 4.350 0.002 0.000 0.267 125 T C 2.092 176.785 174.700 -0.013 0.000 1.039 125 T CA 1.835 63.926 62.100 -0.016 0.000 1.153 125 T CB -0.534 68.328 68.868 -0.010 0.000 0.863 125 T HN 0.571 nan 8.240 nan 0.000 0.428 126 A N 1.609 124.424 122.820 -0.009 0.000 1.883 126 A HA 0.046 4.367 4.320 0.002 0.000 0.217 126 A C 2.683 180.263 177.584 -0.008 0.000 1.186 126 A CA 2.148 54.181 52.037 -0.007 0.000 0.624 126 A CB -1.281 17.717 19.000 -0.004 0.000 0.822 126 A HN 0.534 nan 8.150 nan 0.000 0.444 127 A N -0.744 122.070 122.820 -0.009 0.000 1.908 127 A HA -0.046 4.276 4.320 0.002 0.000 0.218 127 A C 2.215 179.790 177.584 -0.014 0.000 1.181 127 A CA 1.919 53.950 52.037 -0.010 0.000 0.627 127 A CB -0.944 18.049 19.000 -0.011 0.000 0.818 127 A HN 0.456 nan 8.150 nan 0.000 0.445 128 V N 0.156 120.057 119.914 -0.021 0.000 2.515 128 V HA -0.174 3.947 4.120 0.002 0.000 0.250 128 V C 2.484 178.567 176.094 -0.019 0.000 1.058 128 V CA 1.927 64.211 62.300 -0.027 0.000 1.064 128 V CB -0.616 31.184 31.823 -0.039 0.000 0.675 128 V HN 0.526 nan 8.190 nan 0.000 0.461 129 E N -0.195 119.997 120.200 -0.014 0.000 2.072 129 E HA -0.155 4.196 4.350 0.002 0.000 0.190 129 E C 2.280 178.877 176.600 -0.006 0.000 0.982 129 E CA 0.805 57.199 56.400 -0.009 0.000 0.803 129 E CB -0.183 29.513 29.700 -0.007 0.000 0.755 129 E HN 0.570 nan 8.360 nan 0.000 0.453 130 E N 1.035 121.232 120.200 -0.005 0.000 2.118 130 E HA -0.143 4.208 4.350 0.002 0.000 0.195 130 E C 2.321 178.920 176.600 -0.001 0.000 0.992 130 E CA 0.480 56.879 56.400 -0.002 0.000 0.804 130 E CB -0.418 29.282 29.700 -0.000 0.000 0.741 130 E HN 0.303 nan 8.360 nan 0.000 0.458 131 L N 0.500 121.720 121.223 -0.004 0.000 2.353 131 L HA -0.169 4.172 4.340 0.002 0.000 0.220 131 L C 1.886 178.754 176.870 -0.003 0.000 1.133 131 L CA 0.873 55.711 54.840 -0.004 0.000 0.798 131 L CB -0.228 41.826 42.059 -0.009 0.000 0.922 131 L HN -0.025 nan 8.230 nan 0.000 0.445 132 K N 0.162 120.560 120.400 -0.003 0.000 2.439 132 K HA -0.003 4.318 4.320 0.002 0.000 0.197 132 K C 1.714 178.314 176.600 0.001 0.000 1.041 132 K CA 0.844 57.130 56.287 -0.002 0.000 0.970 132 K CB -0.182 32.316 32.500 -0.003 0.000 0.773 132 K HN 0.216 nan 8.250 nan 0.000 0.479 133 A N -0.520 122.301 122.820 0.002 0.000 2.275 133 A HA 0.178 4.500 4.320 0.002 0.000 0.212 133 A C 1.231 178.819 177.584 0.006 0.000 1.201 133 A CA 0.464 52.503 52.037 0.004 0.000 0.843 133 A CB 0.005 19.007 19.000 0.004 0.000 0.873 133 A HN 0.153 nan 8.150 nan 0.000 0.492 134 L N -2.344 118.882 121.223 0.006 0.000 2.663 134 L HA 0.257 4.598 4.340 0.002 0.000 0.218 134 L C 1.465 178.339 176.870 0.007 0.000 1.043 134 L CA 0.715 55.560 54.840 0.008 0.000 0.876 134 L CB -0.110 41.954 42.059 0.009 0.000 1.263 134 L HN 0.123 nan 8.230 nan 0.000 0.486 135 S N 1.800 117.503 115.700 0.004 0.000 4.051 135 S HA 0.206 4.677 4.470 0.002 0.000 0.215 135 S C 0.228 174.831 174.600 0.004 0.000 1.289 135 S CA -0.559 57.643 58.200 0.003 0.000 0.907 135 S CB -1.086 62.114 63.200 0.000 0.000 1.603 135 S HN 0.103 nan 8.310 nan 0.000 0.453 136 V N 3.036 122.954 119.914 0.005 0.000 2.763 136 V HA 0.353 4.475 4.120 0.002 0.000 0.306 136 V C -2.331 173.766 176.094 0.005 0.000 1.059 136 V CA -2.021 60.282 62.300 0.005 0.000 1.138 136 V CB -0.464 31.363 31.823 0.006 0.000 0.940 136 V HN 0.381 nan 8.190 nan 0.000 0.489 137 P HA 0.091 nan 4.420 nan 0.000 0.267 137 P C -0.044 177.259 177.300 0.004 0.000 1.200 137 P CA -0.241 62.862 63.100 0.004 0.000 0.772 137 P CB 0.375 32.077 31.700 0.004 0.000 0.855 138 C N 3.028 122.331 119.300 0.005 0.000 3.247 138 C HA 0.118 4.579 4.460 0.002 0.000 0.573 138 C C 1.563 176.555 174.990 0.003 0.000 1.106 138 C CA 0.528 59.549 59.018 0.005 0.000 1.209 138 C CB -2.612 25.132 27.740 0.006 0.000 1.460 138 C HN 0.580 nan 8.230 nan 0.000 0.634 139 S N -0.431 115.271 115.700 0.003 0.000 2.524 139 S HA 0.075 4.547 4.470 0.002 0.000 0.215 139 S C 0.016 174.617 174.600 0.002 0.000 0.986 139 S CA -0.194 58.007 58.200 0.002 0.000 0.911 139 S CB -0.052 63.150 63.200 0.002 0.000 0.805 139 S HN 0.834 nan 8.310 nan 0.000 0.501 140 D N 0.741 121.142 120.400 0.002 0.000 2.163 140 D HA 0.481 5.122 4.640 0.002 0.000 0.248 140 D C 0.812 177.113 176.300 0.001 0.000 1.035 140 D CA -0.491 53.510 54.000 0.002 0.000 0.872 140 D CB 1.791 42.592 40.800 0.002 0.000 1.183 140 D HN -0.096 nan 8.370 nan 0.000 0.445 141 S N 2.552 118.252 115.700 0.000 0.000 2.383 141 S HA -0.200 4.272 4.470 0.002 0.000 0.229 141 S C 1.611 176.210 174.600 -0.001 0.000 1.030 141 S CA 1.114 59.313 58.200 -0.001 0.000 1.002 141 S CB -0.264 62.935 63.200 -0.001 0.000 0.829 141 S HN 0.654 nan 8.310 nan 0.000 0.467 142 K N 1.521 121.920 120.400 -0.001 0.000 2.002 142 K HA -0.080 4.241 4.320 0.002 0.000 0.209 142 K C 2.301 178.900 176.600 -0.001 0.000 1.048 142 K CA 1.237 57.523 56.287 -0.001 0.000 0.930 142 K CB -0.427 32.073 32.500 -0.001 0.000 0.714 142 K HN 0.274 nan 8.250 nan 0.000 0.438 143 A N 1.518 124.339 122.820 0.000 0.000 1.865 143 A HA -0.178 4.143 4.320 0.002 0.000 0.217 143 A C 2.159 179.743 177.584 0.001 0.000 1.191 143 A CA 1.854 53.892 52.037 0.001 0.000 0.623 143 A CB -0.756 18.245 19.000 0.003 0.000 0.826 143 A HN 0.393 nan 8.150 nan 0.000 0.444 144 I N -0.290 120.281 120.570 0.001 0.000 2.163 144 I HA -0.331 3.840 4.170 0.002 0.000 0.243 144 I C 2.976 179.093 176.117 0.001 0.000 1.085 144 I CA 1.283 62.584 61.300 0.001 0.000 1.347 144 I CB -0.338 37.662 38.000 0.000 0.000 1.044 144 I HN 0.381 nan 8.210 nan 0.000 0.408 145 A N -0.114 122.706 122.820 -0.001 0.000 1.898 145 A HA -0.239 4.083 4.320 0.002 0.000 0.216 145 A C 2.249 179.832 177.584 -0.002 0.000 1.181 145 A CA 1.466 53.501 52.037 -0.002 0.000 0.620 145 A CB -0.582 18.416 19.000 -0.004 0.000 0.819 145 A HN 0.459 nan 8.150 nan 0.000 0.442 146 Q N -0.264 119.535 119.800 -0.003 0.000 2.084 146 Q HA -0.125 4.216 4.340 0.002 0.000 0.202 146 Q C 2.071 178.070 176.000 -0.001 0.000 0.978 146 Q CA 1.971 57.771 55.803 -0.004 0.000 0.844 146 Q CB -0.475 28.259 28.738 -0.005 0.000 0.898 146 Q HN 0.733 nan 8.270 nan 0.000 0.426 147 V N -2.764 117.152 119.914 0.002 0.000 3.078 147 V HA -0.008 4.114 4.120 0.002 0.000 0.265 147 V C 1.652 177.752 176.094 0.011 0.000 1.122 147 V CA 1.702 64.006 62.300 0.007 0.000 1.141 147 V CB -0.962 30.867 31.823 0.010 0.000 0.735 147 V HN 0.314 nan 8.190 nan 0.000 0.498 148 G N 0.248 109.052 108.800 0.008 0.000 2.447 148 G HA2 -0.093 3.868 3.960 0.002 0.000 0.211 148 G HA3 -0.093 3.868 3.960 0.002 0.000 0.211 148 G C 1.484 176.388 174.900 0.006 0.000 1.184 148 G CA 1.028 46.134 45.100 0.009 0.000 0.813 148 G HN 0.416 nan 8.290 nan 0.000 0.540 149 T N 1.648 116.203 114.554 0.001 0.000 2.720 149 T HA -0.130 4.221 4.350 0.002 0.000 0.268 149 T C 2.351 177.048 174.700 -0.004 0.000 1.037 149 T CA 1.112 63.210 62.100 -0.003 0.000 1.144 149 T CB -0.148 68.715 68.868 -0.007 0.000 0.864 149 T HN 0.084 nan 8.240 nan 0.000 0.444 150 I N 0.791 121.359 120.570 -0.004 0.000 2.179 150 I HA -0.111 4.060 4.170 0.002 0.000 0.242 150 I C 2.668 178.784 176.117 -0.001 0.000 1.088 150 I CA 1.115 62.411 61.300 -0.006 0.000 1.357 150 I CB -0.726 37.270 38.000 -0.007 0.000 1.051 150 I HN 0.149 nan 8.210 nan 0.000 0.409 151 S N 0.051 115.755 115.700 0.006 0.000 2.383 151 S HA -0.071 4.401 4.470 0.002 0.000 0.227 151 S C 2.042 176.649 174.600 0.011 0.000 1.026 151 S CA 1.062 59.269 58.200 0.012 0.000 0.981 151 S CB -0.353 62.862 63.200 0.024 0.000 0.818 151 S HN 0.432 nan 8.310 nan 0.000 0.472 152 A N 1.274 124.100 122.820 0.010 0.000 2.258 152 A HA 0.181 4.503 4.320 0.002 0.000 0.206 152 A C 0.855 178.440 177.584 0.002 0.000 1.222 152 A CA 0.580 52.622 52.037 0.008 0.000 0.822 152 A CB -0.808 18.196 19.000 0.007 0.000 0.804 152 A HN 0.760 nan 8.150 nan 0.000 0.483 153 N N -0.949 117.750 118.700 -0.002 0.000 2.816 153 N HA -0.204 4.537 4.740 0.002 0.000 0.247 153 N C 0.028 175.531 175.510 -0.011 0.000 1.100 153 N CA 0.826 53.872 53.050 -0.007 0.000 0.687 153 N CB -1.338 37.146 38.487 -0.005 0.000 1.003 153 N HN 0.505 nan 8.380 nan 0.000 0.554 154 S N -1.094 114.598 115.700 -0.013 0.000 3.244 154 S HA -0.177 4.294 4.470 0.002 0.000 0.279 154 S C -0.339 174.253 174.600 -0.014 0.000 1.293 154 S CA 0.816 59.005 58.200 -0.017 0.000 0.990 154 S CB -0.962 62.223 63.200 -0.024 0.000 1.202 154 S HN 0.661 nan 8.310 nan 0.000 0.666 155 D N 1.745 122.139 120.400 -0.009 0.000 2.367 155 D HA 0.123 4.764 4.640 0.002 0.000 0.255 155 D C 1.222 177.518 176.300 -0.007 0.000 1.300 155 D CA 0.103 54.098 54.000 -0.007 0.000 0.959 155 D CB 0.366 41.164 40.800 -0.004 0.000 1.064 155 D HN 0.536 nan 8.370 nan 0.000 0.509 156 E N 1.123 121.318 120.200 -0.009 0.000 2.130 156 E HA -0.194 4.157 4.350 0.002 0.000 0.196 156 E C 1.750 178.346 176.600 -0.007 0.000 0.998 156 E CA 1.528 57.923 56.400 -0.009 0.000 0.806 156 E CB 0.147 29.840 29.700 -0.010 0.000 0.738 156 E HN 0.572 nan 8.360 nan 0.000 0.459 157 T N 0.024 114.574 114.554 -0.006 0.000 2.737 157 T HA -0.106 4.246 4.350 0.002 0.000 0.265 157 T C 2.212 176.909 174.700 -0.005 0.000 1.038 157 T CA 0.971 63.067 62.100 -0.006 0.000 1.144 157 T CB -0.607 68.258 68.868 -0.005 0.000 0.866 157 T HN -0.038 nan 8.240 nan 0.000 0.434 158 V N 2.045 121.957 119.914 -0.003 0.000 2.343 158 V HA -0.069 4.052 4.120 0.002 0.000 0.247 158 V C 3.010 179.103 176.094 -0.002 0.000 1.051 158 V CA 1.982 64.281 62.300 -0.002 0.000 1.036 158 V CB -1.484 30.340 31.823 0.001 0.000 0.654 158 V HN 0.672 nan 8.190 nan 0.000 0.451 159 G N -0.224 108.574 108.800 -0.002 0.000 2.404 159 G HA2 -0.317 3.644 3.960 0.002 0.000 0.215 159 G HA3 -0.317 3.644 3.960 0.002 0.000 0.215 159 G C 1.575 176.473 174.900 -0.004 0.000 1.174 159 G CA 1.147 46.245 45.100 -0.002 0.000 0.780 159 G HN 0.467 nan 8.290 nan 0.000 0.537 160 K N 0.061 120.459 120.400 -0.005 0.000 2.032 160 K HA -0.032 4.290 4.320 0.002 0.000 0.209 160 K C 2.317 178.914 176.600 -0.005 0.000 1.048 160 K CA 1.072 57.356 56.287 -0.005 0.000 0.927 160 K CB -0.692 31.804 32.500 -0.006 0.000 0.712 160 K HN 0.244 nan 8.250 nan 0.000 0.441 161 L N 0.508 121.727 121.223 -0.006 0.000 2.056 161 L HA 0.019 4.360 4.340 0.002 0.000 0.207 161 L C 2.061 178.927 176.870 -0.007 0.000 1.078 161 L CA 1.491 56.327 54.840 -0.007 0.000 0.749 161 L CB -0.279 41.776 42.059 -0.007 0.000 0.901 161 L HN 0.268 nan 8.230 nan 0.000 0.433 162 I N -0.949 119.617 120.570 -0.007 0.000 2.252 162 I HA -0.284 3.888 4.170 0.002 0.000 0.245 162 I C 2.549 178.661 176.117 -0.007 0.000 1.102 162 I CA 1.099 62.395 61.300 -0.008 0.000 1.385 162 I CB -0.619 37.377 38.000 -0.007 0.000 1.064 162 I HN 0.298 nan 8.210 nan 0.000 0.414 163 A N 0.456 123.273 122.820 -0.005 0.000 1.902 163 A HA -0.222 4.099 4.320 0.002 0.000 0.217 163 A C 2.224 179.805 177.584 -0.005 0.000 1.181 163 A CA 1.643 53.678 52.037 -0.005 0.000 0.623 163 A CB -0.582 18.415 19.000 -0.004 0.000 0.818 163 A HN 0.429 nan 8.150 nan 0.000 0.443 164 E N -0.468 119.728 120.200 -0.006 0.000 2.204 164 E HA -0.083 4.269 4.350 0.002 0.000 0.194 164 E C 2.207 178.803 176.600 -0.007 0.000 0.989 164 E CA 0.755 57.151 56.400 -0.006 0.000 0.824 164 E CB -0.202 29.494 29.700 -0.007 0.000 0.756 164 E HN 0.640 nan 8.360 nan 0.000 0.477 165 A N 0.925 123.740 122.820 -0.008 0.000 1.898 165 A HA -0.112 4.210 4.320 0.002 0.000 0.214 165 A C 2.125 179.703 177.584 -0.009 0.000 1.183 165 A CA 0.801 52.832 52.037 -0.010 0.000 0.622 165 A CB -0.296 18.697 19.000 -0.012 0.000 0.824 165 A HN 0.107 nan 8.150 nan 0.000 0.444 166 M N -0.648 118.947 119.600 -0.008 0.000 2.080 166 M HA -0.211 4.270 4.480 0.002 0.000 0.260 166 M C 1.846 178.142 176.300 -0.006 0.000 1.068 166 M CA 2.180 57.475 55.300 -0.007 0.000 1.109 166 M CB -0.618 31.979 32.600 -0.006 0.000 1.342 166 M HN 0.506 nan 8.290 nan 0.000 0.405 167 D N -0.091 120.306 120.400 -0.006 0.000 2.351 167 D HA -0.132 4.510 4.640 0.002 0.000 0.216 167 D C 1.608 177.905 176.300 -0.005 0.000 0.968 167 D CA 1.129 55.126 54.000 -0.005 0.000 0.899 167 D CB 0.289 41.086 40.800 -0.005 0.000 0.907 167 D HN 0.105 nan 8.370 nan 0.000 0.514 168 K N -1.044 119.352 120.400 -0.006 0.000 2.329 168 K HA 0.116 4.438 4.320 0.002 0.000 0.198 168 K C 1.860 178.456 176.600 -0.007 0.000 1.085 168 K CA 0.653 56.936 56.287 -0.007 0.000 0.961 168 K CB 0.288 32.783 32.500 -0.008 0.000 0.971 168 K HN 0.126 nan 8.250 nan 0.000 0.502 169 V N -2.197 117.713 119.914 -0.008 0.000 2.951 169 V HA 0.301 4.423 4.120 0.002 0.000 0.255 169 V C 0.936 177.026 176.094 -0.007 0.000 1.088 169 V CA 0.582 62.877 62.300 -0.008 0.000 1.109 169 V CB -1.103 30.714 31.823 -0.010 0.000 0.724 169 V HN 0.287 nan 8.190 nan 0.000 0.471 170 G N 0.463 109.260 108.800 -0.006 0.000 2.828 170 G HA2 -0.260 3.702 3.960 0.002 0.000 0.463 170 G HA3 -0.260 3.702 3.960 0.002 0.000 0.463 170 G C 0.228 175.125 174.900 -0.005 0.000 1.394 170 G CA 0.250 45.347 45.100 -0.005 0.000 0.862 170 G HN 0.414 nan 8.290 nan 0.000 0.540 171 K N 0.182 120.579 120.400 -0.004 0.000 2.160 171 K HA -0.116 4.205 4.320 0.002 0.000 0.206 171 K C 1.380 177.977 176.600 -0.005 0.000 1.047 171 K CA 2.020 58.304 56.287 -0.004 0.000 0.930 171 K CB -0.056 32.442 32.500 -0.003 0.000 0.720 171 K HN 0.608 nan 8.250 nan 0.000 0.450 172 E N -0.353 119.843 120.200 -0.006 0.000 3.306 172 E HA 0.143 4.495 4.350 0.002 0.000 0.197 172 E C -0.026 176.569 176.600 -0.008 0.000 0.980 172 E CA -0.460 55.936 56.400 -0.007 0.000 1.259 172 E CB 1.430 31.126 29.700 -0.006 0.000 1.112 172 E HN 0.214 nan 8.360 nan 0.000 0.458 173 G N 0.187 108.982 108.800 -0.009 0.000 2.795 173 G HA2 0.557 4.518 3.960 0.002 0.000 0.267 173 G HA3 0.557 4.518 3.960 0.002 0.000 0.267 173 G C -0.681 174.211 174.900 -0.013 0.000 1.362 173 G CA -0.386 44.708 45.100 -0.010 0.000 1.048 173 G HN 0.024 nan 8.290 nan 0.000 0.547 174 V N 0.495 120.400 119.914 -0.014 0.000 2.525 174 V HA 0.343 4.465 4.120 0.002 0.000 0.299 174 V C -0.474 175.609 176.094 -0.019 0.000 1.034 174 V CA -0.424 61.865 62.300 -0.019 0.000 0.863 174 V CB 1.459 33.270 31.823 -0.020 0.000 0.999 174 V HN 0.542 nan 8.190 nan 0.000 0.423 175 I N 4.222 124.779 120.570 -0.023 0.000 2.342 175 I HA 0.443 4.615 4.170 0.002 0.000 0.291 175 I C 0.554 176.653 176.117 -0.031 0.000 1.010 175 I CA 0.107 61.393 61.300 -0.024 0.000 1.308 175 I CB 1.374 39.360 38.000 -0.024 0.000 1.400 175 I HN 0.535 nan 8.210 nan 0.000 0.488 176 T N 5.209 119.747 114.554 -0.027 0.000 2.944 176 T HA 0.551 4.902 4.350 0.002 0.000 0.284 176 T C -0.506 174.178 174.700 -0.027 0.000 1.010 176 T CA -0.646 61.437 62.100 -0.028 0.000 1.025 176 T CB 2.577 71.432 68.868 -0.023 0.000 1.079 176 T HN 0.355 nan 8.240 nan 0.000 0.516 177 V N 0.833 120.730 119.914 -0.027 0.000 2.709 177 V HA 0.631 4.753 4.120 0.002 0.000 0.308 177 V C -1.381 174.704 176.094 -0.014 0.000 1.062 177 V CA -0.503 61.785 62.300 -0.021 0.000 0.901 177 V CB 1.831 33.641 31.823 -0.023 0.000 1.003 177 V HN 0.946 nan 8.190 nan 0.000 0.425 178 E N 3.150 123.344 120.200 -0.011 0.000 2.340 178 E HA 0.397 4.749 4.350 0.002 0.000 0.273 178 E C -1.656 174.941 176.600 -0.004 0.000 0.891 178 E CA -0.906 55.489 56.400 -0.007 0.000 0.757 178 E CB 2.094 31.789 29.700 -0.009 0.000 1.231 178 E HN 0.763 nan 8.360 nan 0.000 0.439 179 D N 0.577 120.976 120.400 -0.002 0.000 2.423 179 D HA 0.334 4.975 4.640 0.002 0.000 0.238 179 D C 0.047 176.345 176.300 -0.003 0.000 1.142 179 D CA 0.652 54.652 54.000 -0.000 0.000 0.884 179 D CB 0.872 41.674 40.800 0.002 0.000 1.199 179 D HN 0.460 nan 8.370 nan 0.000 0.438 180 G N -1.294 107.504 108.800 -0.002 0.000 2.714 180 G HA2 0.470 4.431 3.960 0.002 0.000 0.292 180 G HA3 0.470 4.431 3.960 0.002 0.000 0.292 180 G C 0.401 175.299 174.900 -0.003 0.000 1.308 180 G CA -0.616 44.481 45.100 -0.004 0.000 0.964 180 G HN 0.415 nan 8.290 nan 0.000 0.484 181 T N -2.592 111.959 114.554 -0.004 0.000 3.086 181 T HA 0.426 4.778 4.350 0.002 0.000 0.250 181 T C 0.966 175.664 174.700 -0.003 0.000 1.074 181 T CA 0.473 62.572 62.100 -0.003 0.000 0.988 181 T CB 0.443 69.308 68.868 -0.004 0.000 0.988 181 T HN 0.805 nan 8.240 nan 0.000 0.530 182 G N 0.312 109.111 108.800 -0.003 0.000 2.537 182 G HA2 0.597 4.558 3.960 0.002 0.000 0.323 182 G HA3 0.597 4.558 3.960 0.002 0.000 0.323 182 G C 0.269 175.168 174.900 -0.002 0.000 1.207 182 G CA -1.026 44.072 45.100 -0.003 0.000 0.976 182 G HN 0.277 nan 8.290 nan 0.000 0.487 183 L N -0.566 120.655 121.223 -0.002 0.000 2.554 183 L HA 0.161 4.502 4.340 0.002 0.000 0.226 183 L C 0.723 177.592 176.870 -0.002 0.000 1.137 183 L CA 0.362 55.201 54.840 -0.002 0.000 0.863 183 L CB -0.373 41.685 42.059 -0.002 0.000 0.985 183 L HN 0.622 nan 8.230 nan 0.000 0.451 184 Q N -2.049 117.750 119.800 -0.003 0.000 2.648 184 Q HA 0.427 4.768 4.340 0.002 0.000 0.300 184 Q C -1.545 174.453 176.000 -0.004 0.000 0.954 184 Q CA -0.990 54.811 55.803 -0.003 0.000 0.757 184 Q CB 0.588 29.324 28.738 -0.004 0.000 1.482 184 Q HN -0.045 nan 8.270 nan 0.000 0.437 185 D N -0.337 120.061 120.400 -0.005 0.000 2.437 185 D HA 0.624 5.265 4.640 0.002 0.000 0.259 185 D C -0.889 175.407 176.300 -0.007 0.000 1.118 185 D CA -0.723 53.274 54.000 -0.005 0.000 1.017 185 D CB 1.054 41.851 40.800 -0.005 0.000 1.120 185 D HN 0.622 nan 8.370 nan 0.000 0.541 186 E N 0.177 120.372 120.200 -0.008 0.000 2.343 186 E HA 0.314 4.666 4.350 0.002 0.000 0.286 186 E C -1.951 174.643 176.600 -0.010 0.000 0.915 186 E CA -0.805 55.590 56.400 -0.009 0.000 0.784 186 E CB 1.378 31.072 29.700 -0.010 0.000 1.251 186 E HN 0.320 nan 8.360 nan 0.000 0.407 187 L N 3.799 125.016 121.223 -0.010 0.000 2.305 187 L HA 0.561 4.903 4.340 0.002 0.000 0.281 187 L C -0.941 175.922 176.870 -0.012 0.000 1.085 187 L CA 0.391 55.224 54.840 -0.011 0.000 0.813 187 L CB 1.213 43.266 42.059 -0.010 0.000 1.157 187 L HN 0.557 nan 8.230 nan 0.000 0.436 188 D N 2.952 123.343 120.400 -0.014 0.000 2.581 188 D HA 0.690 5.332 4.640 0.002 0.000 0.232 188 D C -1.700 174.591 176.300 -0.016 0.000 1.143 188 D CA -0.127 53.864 54.000 -0.015 0.000 0.881 188 D CB 2.485 43.275 40.800 -0.017 0.000 1.500 188 D HN 0.330 nan 8.370 nan 0.000 0.458 189 V N 1.286 121.190 119.914 -0.016 0.000 2.851 189 V HA 0.465 4.587 4.120 0.002 0.000 0.307 189 V C -0.580 175.504 176.094 -0.017 0.000 1.129 189 V CA -0.818 61.473 62.300 -0.015 0.000 0.932 189 V CB 2.066 33.882 31.823 -0.013 0.000 1.024 189 V HN 0.414 nan 8.190 nan 0.000 0.426 190 V N 3.176 123.080 119.914 -0.017 0.000 2.487 190 V HA 0.473 4.594 4.120 0.002 0.000 0.298 190 V C -0.101 175.986 176.094 -0.012 0.000 1.028 190 V CA -0.654 61.635 62.300 -0.018 0.000 0.860 190 V CB 1.889 33.698 31.823 -0.024 0.000 0.991 190 V HN 0.927 nan 8.190 nan 0.000 0.427 191 E N 2.536 122.730 120.200 -0.011 0.000 2.277 191 E HA 0.627 4.978 4.350 0.002 0.000 0.274 191 E C 0.565 177.165 176.600 -0.001 0.000 1.022 191 E CA 0.465 56.862 56.400 -0.005 0.000 0.853 191 E CB 1.725 31.422 29.700 -0.006 0.000 1.086 191 E HN 1.081 nan 8.360 nan 0.000 0.397 192 G N 1.962 110.766 108.800 0.008 0.000 2.698 192 G HA2 -0.269 3.692 3.960 0.002 0.000 0.225 192 G HA3 -0.269 3.692 3.960 0.002 0.000 0.225 192 G C -0.509 174.413 174.900 0.036 0.000 1.345 192 G CA -0.282 44.831 45.100 0.021 0.000 0.871 192 G HN 0.540 nan 8.290 nan 0.000 0.540 193 M N 1.012 120.654 119.600 0.071 0.000 2.077 193 M HA 0.578 5.059 4.480 0.002 0.000 0.348 193 M C 0.187 176.586 176.300 0.164 0.000 1.252 193 M CA -0.375 54.999 55.300 0.124 0.000 1.096 193 M CB 0.746 33.435 32.600 0.148 0.000 1.568 193 M HN 0.712 nan 8.290 nan 0.000 0.456 194 Q N 5.182 125.044 119.800 0.102 0.000 2.245 194 Q HA 0.697 5.039 4.340 0.002 0.000 0.256 194 Q C -1.713 174.367 176.000 0.134 0.000 0.942 194 Q CA -0.656 55.147 55.803 0.000 0.000 0.896 194 Q CB 1.220 29.924 28.738 -0.057 0.000 1.272 194 Q HN 0.734 nan 8.270 nan 0.000 0.442 195 F N -0.966 118.966 119.950 -0.029 0.000 2.741 195 F HA 0.440 4.968 4.527 0.002 0.000 0.313 195 F C -1.447 174.333 175.800 -0.032 0.000 1.153 195 F CA -1.588 56.392 58.000 -0.033 0.000 0.931 195 F CB 0.512 39.494 39.000 -0.031 0.000 1.335 195 F HN 0.366 nan 8.300 nan 0.000 0.460 196 D N 1.399 121.901 120.400 0.169 0.000 2.450 196 D HA 0.538 5.179 4.640 0.002 0.000 0.247 196 D C -0.748 175.608 176.300 0.094 0.000 1.162 196 D CA 0.662 54.706 54.000 0.074 0.000 0.879 196 D CB 0.416 41.268 40.800 0.086 0.000 1.163 196 D HN 0.758 nan 8.370 nan 0.000 0.472 197 R N 0.548 121.029 120.500 -0.032 0.000 8.450 197 R HA 0.356 4.698 4.340 0.002 0.000 0.243 197 R C -0.198 176.007 176.300 -0.158 0.000 0.828 197 R CA 0.209 56.284 56.100 -0.042 0.000 2.048 197 R CB -0.695 29.642 30.300 0.062 0.000 1.134 197 R HN 0.615 nan 8.270 nan 0.000 1.004 198 G N 1.315 109.993 108.800 -0.204 0.000 2.568 198 G HA2 0.528 4.489 3.960 0.002 0.000 0.293 198 G HA3 0.528 4.489 3.960 0.002 0.000 0.293 198 G C -0.731 174.020 174.900 -0.249 0.000 1.347 198 G CA -0.519 44.358 45.100 -0.371 0.000 1.039 198 G HN 0.539 nan 8.290 nan 0.000 0.523 199 Y N -1.246 119.061 120.300 0.012 0.000 2.578 199 Y HA 0.281 4.833 4.550 0.002 0.000 0.339 199 Y C 1.230 177.181 175.900 0.085 0.000 1.231 199 Y CA -0.947 57.194 58.100 0.067 0.000 1.461 199 Y CB 0.366 38.866 38.460 0.066 0.000 1.323 199 Y HN 0.170 nan 8.280 nan 0.000 0.590 200 L N 1.634 123.039 121.223 0.304 0.000 2.610 200 L HA 0.082 4.423 4.340 0.002 0.000 0.232 200 L C 0.634 177.662 176.870 0.263 0.000 1.149 200 L CA 0.787 55.765 54.840 0.230 0.000 0.872 200 L CB -0.146 42.011 42.059 0.164 0.000 0.992 200 L HN 0.779 nan 8.230 nan 0.000 0.447 201 S N -1.229 114.675 115.700 0.341 0.000 2.543 201 S HA 0.374 4.845 4.470 0.002 0.000 0.273 201 S C -2.182 172.488 174.600 0.115 0.000 1.152 201 S CA -0.890 57.472 58.200 0.270 0.000 0.910 201 S CB 1.742 65.097 63.200 0.258 0.000 1.105 201 S HN -0.173 nan 8.310 nan 0.000 0.465 202 P HA 0.089 nan 4.420 nan 0.000 0.240 202 P C 0.486 177.630 177.300 -0.259 0.000 1.190 202 P CA 0.447 63.361 63.100 -0.310 0.000 0.781 202 P CB -0.167 31.375 31.700 -0.263 0.000 0.931 203 Y N -1.392 118.893 120.300 -0.025 0.000 2.665 203 Y HA 0.067 4.618 4.550 0.002 0.000 0.320 203 Y C 1.812 177.757 175.900 0.076 0.000 1.204 203 Y CA 0.614 58.719 58.100 0.009 0.000 1.315 203 Y CB -0.970 37.496 38.460 0.010 0.000 1.033 203 Y HN 0.016 nan 8.280 nan 0.000 0.509 204 F N -1.055 118.860 119.950 -0.057 0.000 2.767 204 F HA 0.304 4.832 4.527 0.002 0.000 0.323 204 F C 0.426 176.137 175.800 -0.148 0.000 1.091 204 F CA -0.291 57.662 58.000 -0.079 0.000 1.192 204 F CB 0.562 39.523 39.000 -0.065 0.000 1.056 204 F HN -0.212 nan 8.300 nan 0.000 0.571 205 I N 4.068 124.525 120.570 -0.188 0.000 2.849 205 I HA -0.169 4.003 4.170 0.002 0.000 0.288 205 I C 1.054 177.082 176.117 -0.148 0.000 1.156 205 I CA 0.477 61.609 61.300 -0.280 0.000 1.394 205 I CB -0.012 37.815 38.000 -0.288 0.000 1.462 205 I HN 0.382 nan 8.210 nan 0.000 0.587 206 N N 5.766 124.365 118.700 -0.168 0.000 2.280 206 N HA -0.005 4.736 4.740 0.002 0.000 0.192 206 N C 0.138 175.602 175.510 -0.077 0.000 1.109 206 N CA -0.085 52.914 53.050 -0.084 0.000 0.855 206 N CB 0.550 39.003 38.487 -0.056 0.000 0.974 206 N HN 0.347 nan 8.380 nan 0.000 0.482 207 K N 1.434 121.777 120.400 -0.094 0.000 2.679 207 K HA 0.293 4.615 4.320 0.002 0.000 0.188 207 K C -2.080 174.486 176.600 -0.058 0.000 1.055 207 K CA -1.743 54.505 56.287 -0.064 0.000 1.006 207 K CB 1.893 34.357 32.500 -0.060 0.000 1.317 207 K HN -0.021 nan 8.250 nan 0.000 0.584 208 P HA -0.141 nan 4.420 nan 0.000 0.223 208 P C 0.582 177.863 177.300 -0.032 0.000 1.144 208 P CA 1.019 64.091 63.100 -0.046 0.000 0.783 208 P CB 0.474 32.151 31.700 -0.039 0.000 0.771 209 E N -0.842 119.341 120.200 -0.028 0.000 2.130 209 E HA -0.155 4.196 4.350 0.002 0.000 0.196 209 E C 1.396 177.985 176.600 -0.018 0.000 0.998 209 E CA 2.065 58.452 56.400 -0.022 0.000 0.806 209 E CB -0.857 28.830 29.700 -0.021 0.000 0.738 209 E HN 0.383 nan 8.360 nan 0.000 0.459 210 T N -5.002 109.542 114.554 -0.018 0.000 3.262 210 T HA 0.425 4.777 4.350 0.002 0.000 0.300 210 T C 1.014 175.715 174.700 0.001 0.000 0.959 210 T CA -0.071 62.023 62.100 -0.010 0.000 0.936 210 T CB 0.671 69.533 68.868 -0.011 0.000 1.169 210 T HN 0.255 nan 8.240 nan 0.000 0.532 211 G N 1.161 109.956 108.800 -0.009 0.000 2.256 211 G HA2 0.124 4.086 3.960 0.002 0.000 0.272 211 G HA3 0.124 4.086 3.960 0.002 0.000 0.272 211 G C 0.214 175.134 174.900 0.032 0.000 1.076 211 G CA -0.101 44.996 45.100 -0.005 0.000 0.882 211 G HN 1.250 nan 8.290 nan 0.000 0.497 212 A N -1.208 121.611 122.820 -0.002 0.000 2.281 212 A HA 0.941 5.263 4.320 0.002 0.000 0.329 212 A C 0.143 177.662 177.584 -0.108 0.000 1.122 212 A CA -0.303 51.747 52.037 0.022 0.000 0.850 212 A CB 1.965 20.962 19.000 -0.006 0.000 1.207 212 A HN 1.202 nan 8.150 nan 0.000 0.495 213 V N 0.776 120.616 119.914 -0.124 0.000 2.715 213 V HA 0.503 4.625 4.120 0.002 0.000 0.310 213 V C -0.268 175.668 176.094 -0.262 0.000 1.054 213 V CA -0.461 61.617 62.300 -0.369 0.000 0.928 213 V CB 1.661 33.151 31.823 -0.556 0.000 1.007 213 V HN 0.991 nan 8.190 nan 0.000 0.437 214 E N 3.373 123.400 120.200 -0.289 0.000 2.317 214 E HA 0.614 4.965 4.350 0.002 0.000 0.270 214 E C -1.653 174.899 176.600 -0.080 0.000 0.885 214 E CA -0.804 55.512 56.400 -0.141 0.000 0.760 214 E CB 2.905 32.556 29.700 -0.081 0.000 1.227 214 E HN 0.449 nan 8.360 nan 0.000 0.434 215 L N 2.185 123.406 121.223 -0.004 0.000 2.305 215 L HA 0.376 4.717 4.340 0.002 0.000 0.284 215 L C 0.065 176.949 176.870 0.023 0.000 1.013 215 L CA -0.873 53.999 54.840 0.055 0.000 0.819 215 L CB 1.339 43.453 42.059 0.091 0.000 1.227 215 L HN 0.501 nan 8.230 nan 0.000 0.417 216 E N 1.887 122.100 120.200 0.021 0.000 2.408 216 E HA 0.001 4.352 4.350 0.002 0.000 0.259 216 E C 0.276 176.868 176.600 -0.015 0.000 1.110 216 E CA -0.013 56.387 56.400 0.001 0.000 0.929 216 E CB 1.065 30.766 29.700 0.001 0.000 0.971 216 E HN 0.450 nan 8.360 nan 0.000 0.438 217 S N 4.610 120.287 115.700 -0.039 0.000 3.723 217 S HA -0.037 4.434 4.470 0.002 0.000 0.440 217 S C -2.160 172.363 174.600 -0.127 0.000 0.901 217 S CA -0.600 57.555 58.200 -0.075 0.000 1.831 217 S CB -0.548 62.598 63.200 -0.090 0.000 1.036 217 S HN 0.330 nan 8.310 nan 0.000 0.614 218 P HA 0.402 nan 4.420 nan 0.000 0.283 218 P C -0.290 176.929 177.300 -0.134 0.000 1.271 218 P CA -0.856 62.201 63.100 -0.072 0.000 0.841 218 P CB 0.550 32.278 31.700 0.047 0.000 1.122 219 F N 0.059 120.031 119.950 0.038 0.000 2.406 219 F HA 0.355 4.883 4.527 0.002 0.000 0.327 219 F C 1.000 176.824 175.800 0.041 0.000 1.153 219 F CA 0.262 58.282 58.000 0.033 0.000 1.218 219 F CB 0.138 39.154 39.000 0.026 0.000 1.215 219 F HN 0.031 nan 8.300 nan 0.000 0.570 220 I N 3.067 123.791 120.570 0.258 0.000 2.548 220 I HA 0.318 4.489 4.170 0.002 0.000 0.287 220 I C -1.546 174.635 176.117 0.106 0.000 1.103 220 I CA -0.722 60.668 61.300 0.150 0.000 1.049 220 I CB 2.069 40.139 38.000 0.115 0.000 1.232 220 I HN 0.260 nan 8.210 nan 0.000 0.429 221 L N 7.740 129.010 121.223 0.078 0.000 2.401 221 L HA 0.698 5.039 4.340 0.002 0.000 0.266 221 L C -1.602 175.287 176.870 0.032 0.000 0.991 221 L CA -0.392 54.473 54.840 0.041 0.000 0.818 221 L CB 2.063 44.139 42.059 0.028 0.000 1.321 221 L HN 0.438 nan 8.230 nan 0.000 0.413 222 L N 4.825 126.055 121.223 0.013 0.000 2.406 222 L HA 0.876 5.218 4.340 0.002 0.000 0.272 222 L C -0.731 176.137 176.870 -0.004 0.000 0.980 222 L CA -0.660 54.179 54.840 -0.001 0.000 0.831 222 L CB 1.899 43.947 42.059 -0.018 0.000 1.253 222 L HN 0.759 nan 8.230 nan 0.000 0.406 223 A N 1.504 124.323 122.820 -0.000 0.000 2.569 223 A HA 0.370 4.691 4.320 0.002 0.000 0.282 223 A C -0.899 176.686 177.584 0.002 0.000 1.165 223 A CA -0.500 51.538 52.037 0.001 0.000 0.747 223 A CB 0.918 19.922 19.000 0.007 0.000 1.215 223 A HN 0.714 nan 8.150 nan 0.000 0.431 224 D N 2.674 123.072 120.400 -0.003 0.000 2.545 224 D HA 0.441 5.083 4.640 0.002 0.000 0.227 224 D C -0.005 176.298 176.300 0.005 0.000 1.150 224 D CA 0.511 54.510 54.000 -0.001 0.000 1.046 224 D CB -0.256 40.539 40.800 -0.008 0.000 1.098 224 D HN 0.523 nan 8.370 nan 0.000 0.502 225 K N 0.215 120.622 120.400 0.011 0.000 2.870 225 K HA 0.172 4.494 4.320 0.002 0.000 0.290 225 K C -1.260 175.351 176.600 0.019 0.000 1.070 225 K CA -1.052 55.243 56.287 0.015 0.000 0.843 225 K CB -0.310 32.197 32.500 0.011 0.000 1.475 225 K HN 0.017 nan 8.250 nan 0.000 0.359 226 K N 1.757 122.169 120.400 0.021 0.000 2.412 226 K HA 0.356 4.678 4.320 0.002 0.000 0.281 226 K C -0.566 176.045 176.600 0.019 0.000 1.027 226 K CA -0.167 56.134 56.287 0.023 0.000 0.989 226 K CB 0.229 32.743 32.500 0.023 0.000 0.935 226 K HN 0.566 nan 8.250 nan 0.000 0.475 227 I N 3.228 123.811 120.570 0.021 0.000 2.355 227 I HA 0.034 4.205 4.170 0.002 0.000 0.288 227 I C 0.505 176.632 176.117 0.016 0.000 0.999 227 I CA -0.470 60.840 61.300 0.017 0.000 1.163 227 I CB 1.842 39.853 38.000 0.018 0.000 1.316 227 I HN 0.787 nan 8.210 nan 0.000 0.454 228 S N 4.000 119.707 115.700 0.012 0.000 2.486 228 S HA 0.160 4.631 4.470 0.002 0.000 0.220 228 S C 0.351 174.954 174.600 0.006 0.000 1.011 228 S CA 0.327 58.533 58.200 0.010 0.000 0.921 228 S CB -0.055 63.150 63.200 0.008 0.000 0.785 228 S HN 0.662 nan 8.310 nan 0.000 0.517 229 N N 0.252 118.954 118.700 0.004 0.000 2.296 229 N HA 0.369 5.111 4.740 0.002 0.000 0.294 229 N C 0.033 175.543 175.510 -0.001 0.000 1.033 229 N CA -0.388 52.662 53.050 0.001 0.000 0.839 229 N CB 1.571 40.058 38.487 -0.001 0.000 1.395 229 N HN -0.099 nan 8.380 nan 0.000 0.479 230 I N 2.037 122.605 120.570 -0.004 0.000 2.700 230 I HA -0.112 4.060 4.170 0.002 0.000 0.261 230 I C 2.295 178.407 176.117 -0.008 0.000 1.219 230 I CA 1.108 62.404 61.300 -0.006 0.000 1.463 230 I CB -0.284 37.710 38.000 -0.010 0.000 1.092 230 I HN 0.584 nan 8.210 nan 0.000 0.452 231 R N 0.628 121.124 120.500 -0.007 0.000 2.140 231 R HA -0.251 4.090 4.340 0.002 0.000 0.250 231 R C 1.922 178.217 176.300 -0.008 0.000 1.150 231 R CA 2.092 58.187 56.100 -0.008 0.000 0.966 231 R CB -0.280 30.016 30.300 -0.006 0.000 0.869 231 R HN 0.502 nan 8.270 nan 0.000 0.445 232 E N -0.904 119.292 120.200 -0.006 0.000 2.347 232 E HA -0.144 4.208 4.350 0.002 0.000 0.196 232 E C 1.683 178.277 176.600 -0.009 0.000 1.008 232 E CA 0.741 57.137 56.400 -0.006 0.000 0.852 232 E CB 0.167 29.866 29.700 -0.002 0.000 0.783 232 E HN 0.397 nan 8.360 nan 0.000 0.505 233 M N -0.404 119.191 119.600 -0.009 0.000 2.730 233 M HA 0.087 4.568 4.480 0.002 0.000 0.258 233 M C 2.231 178.519 176.300 -0.020 0.000 1.279 233 M CA 0.323 55.615 55.300 -0.013 0.000 1.183 233 M CB -0.556 32.040 32.600 -0.007 0.000 1.291 233 M HN 0.084 nan 8.290 nan 0.000 0.518 234 L N 0.706 121.919 121.223 -0.018 0.000 2.064 234 L HA -0.241 4.100 4.340 0.002 0.000 0.216 234 L C -0.501 176.353 176.870 -0.025 0.000 1.077 234 L CA 1.916 56.745 54.840 -0.019 0.000 0.766 234 L CB -2.024 40.025 42.059 -0.016 0.000 0.890 234 L HN 0.172 nan 8.230 nan 0.000 0.435 235 P HA -0.145 nan 4.420 nan 0.000 0.218 235 P C 1.756 179.027 177.300 -0.049 0.000 1.148 235 P CA 1.167 64.247 63.100 -0.034 0.000 0.822 235 P CB 0.113 31.794 31.700 -0.032 0.000 0.784 236 V N -1.101 118.779 119.914 -0.057 0.000 2.426 236 V HA -0.094 4.027 4.120 0.002 0.000 0.242 236 V C 2.375 178.426 176.094 -0.072 0.000 1.036 236 V CA 0.979 63.227 62.300 -0.087 0.000 1.044 236 V CB -1.020 30.746 31.823 -0.095 0.000 0.688 236 V HN 0.048 nan 8.190 nan 0.000 0.462 237 L N 0.156 121.353 121.223 -0.042 0.000 2.017 237 L HA -0.216 4.125 4.340 0.002 0.000 0.208 237 L C 2.674 179.534 176.870 -0.018 0.000 1.073 237 L CA 2.113 56.938 54.840 -0.024 0.000 0.745 237 L CB -0.195 41.855 42.059 -0.016 0.000 0.894 237 L HN 0.408 nan 8.230 nan 0.000 0.432 238 E N -0.052 120.136 120.200 -0.020 0.000 2.110 238 E HA -0.211 4.140 4.350 0.002 0.000 0.193 238 E C 1.935 178.527 176.600 -0.013 0.000 0.988 238 E CA 1.461 57.852 56.400 -0.014 0.000 0.804 238 E CB -0.079 29.612 29.700 -0.014 0.000 0.745 238 E HN 0.480 nan 8.360 nan 0.000 0.458 239 A N -0.167 122.636 122.820 -0.028 0.000 1.930 239 A HA -0.080 4.241 4.320 0.002 0.000 0.217 239 A C 2.426 180.000 177.584 -0.017 0.000 1.175 239 A CA 1.405 53.422 52.037 -0.032 0.000 0.627 239 A CB -0.493 18.468 19.000 -0.064 0.000 0.815 239 A HN 0.205 nan 8.150 nan 0.000 0.443 240 V N -0.334 119.566 119.914 -0.023 0.000 2.453 240 V HA -0.161 3.961 4.120 0.002 0.000 0.247 240 V C 3.006 179.152 176.094 0.087 0.000 1.048 240 V CA 1.664 63.995 62.300 0.051 0.000 1.049 240 V CB -0.969 30.879 31.823 0.042 0.000 0.672 240 V HN 0.593 nan 8.190 nan 0.000 0.457 241 A N -0.054 122.793 122.820 0.044 0.000 1.902 241 A HA -0.227 4.094 4.320 0.002 0.000 0.217 241 A C 2.270 179.876 177.584 0.037 0.000 1.181 241 A CA 1.908 53.967 52.037 0.037 0.000 0.623 241 A CB -0.402 18.608 19.000 0.016 0.000 0.818 241 A HN 0.527 nan 8.150 nan 0.000 0.443 242 K N -0.247 120.171 120.400 0.030 0.000 2.057 242 K HA -0.064 4.258 4.320 0.002 0.000 0.207 242 K C 2.201 178.828 176.600 0.046 0.000 1.049 242 K CA 1.208 57.512 56.287 0.029 0.000 0.931 242 K CB -0.320 32.191 32.500 0.018 0.000 0.714 242 K HN 0.435 nan 8.250 nan 0.000 0.440 243 A N 0.156 123.020 122.820 0.072 0.000 2.015 243 A HA 0.025 4.346 4.320 0.002 0.000 0.219 243 A C 1.799 179.442 177.584 0.098 0.000 1.163 243 A CA 1.549 53.650 52.037 0.107 0.000 0.646 243 A CB -0.611 18.505 19.000 0.193 0.000 0.806 243 A HN 0.478 nan 8.150 nan 0.000 0.448 244 G N -1.306 107.547 108.800 0.088 0.000 2.199 244 G HA2 -0.279 3.682 3.960 0.002 0.000 0.254 244 G HA3 -0.279 3.682 3.960 0.002 0.000 0.254 244 G C 0.332 175.269 174.900 0.063 0.000 0.982 244 G CA 0.602 45.739 45.100 0.062 0.000 0.632 244 G HN 0.606 nan 8.290 nan 0.000 0.529 245 K N 1.418 121.873 120.400 0.091 0.000 2.295 245 K HA 0.436 4.757 4.320 0.002 0.000 0.270 245 K C -1.978 174.675 176.600 0.089 0.000 1.011 245 K CA -1.483 54.825 56.287 0.035 0.000 0.953 245 K CB 0.682 33.113 32.500 -0.114 0.000 0.956 245 K HN 0.096 nan 8.250 nan 0.000 0.477 246 P HA 0.061 nan 4.420 nan 0.000 0.272 246 P C -1.274 176.110 177.300 0.140 0.000 1.254 246 P CA -0.389 62.766 63.100 0.093 0.000 0.795 246 P CB 0.448 32.201 31.700 0.087 0.000 1.022 247 L N 0.260 121.575 121.223 0.153 0.000 2.505 247 L HA 0.585 4.927 4.340 0.002 0.000 0.259 247 L C -1.995 174.970 176.870 0.159 0.000 0.952 247 L CA -0.859 54.090 54.840 0.181 0.000 0.840 247 L CB 1.851 44.017 42.059 0.178 0.000 1.358 247 L HN 0.106 nan 8.230 nan 0.000 0.409 248 L N 5.076 126.394 121.223 0.159 0.000 2.307 248 L HA 0.721 5.062 4.340 0.002 0.000 0.284 248 L C -1.237 175.710 176.870 0.128 0.000 1.023 248 L CA 0.016 54.948 54.840 0.154 0.000 0.810 248 L CB 1.357 43.509 42.059 0.155 0.000 1.231 248 L HN 0.573 nan 8.230 nan 0.000 0.423 249 I N 6.614 127.255 120.570 0.120 0.000 2.405 249 I HA 0.347 4.518 4.170 0.002 0.000 0.280 249 I C -0.380 175.796 176.117 0.099 0.000 1.027 249 I CA -0.006 61.348 61.300 0.091 0.000 1.161 249 I CB 1.084 39.128 38.000 0.072 0.000 1.300 249 I HN 0.405 nan 8.210 nan 0.000 0.463 250 I N 6.060 126.680 120.570 0.084 0.000 2.268 250 I HA 0.501 4.672 4.170 0.002 0.000 0.290 250 I C 0.755 176.900 176.117 0.045 0.000 1.125 250 I CA -0.265 61.081 61.300 0.076 0.000 1.236 250 I CB 0.303 38.334 38.000 0.051 0.000 1.469 250 I HN 0.624 nan 8.210 nan 0.000 0.512 251 A N 4.526 127.377 122.820 0.053 0.000 2.257 251 A HA 0.245 4.566 4.320 0.002 0.000 0.289 251 A C 1.371 178.978 177.584 0.039 0.000 1.095 251 A CA -0.366 51.694 52.037 0.038 0.000 0.836 251 A CB 0.694 19.718 19.000 0.040 0.000 1.111 251 A HN 0.755 nan 8.150 nan 0.000 0.497 252 E N -0.748 119.470 120.200 0.031 0.000 2.058 252 E HA -0.180 4.171 4.350 0.002 0.000 0.194 252 E C -0.239 176.389 176.600 0.047 0.000 0.997 252 E CA 1.631 58.053 56.400 0.035 0.000 0.801 252 E CB 0.139 29.857 29.700 0.030 0.000 0.746 252 E HN 0.667 nan 8.360 nan 0.000 0.450 253 D N -1.851 118.576 120.400 0.044 0.000 2.653 253 D HA 0.288 4.929 4.640 0.002 0.000 0.258 253 D C -1.814 174.512 176.300 0.044 0.000 1.252 253 D CA -0.525 53.503 54.000 0.048 0.000 0.777 253 D CB 2.254 43.081 40.800 0.044 0.000 1.339 253 D HN -0.094 nan 8.370 nan 0.000 0.422 254 V N 1.483 121.425 119.914 0.047 0.000 2.760 254 V HA 0.659 4.780 4.120 0.002 0.000 0.309 254 V C -0.153 175.964 176.094 0.039 0.000 1.077 254 V CA -0.602 61.724 62.300 0.042 0.000 0.910 254 V CB 1.792 33.644 31.823 0.049 0.000 1.008 254 V HN 0.714 nan 8.190 nan 0.000 0.424 255 E N 2.459 122.677 120.200 0.030 0.000 2.269 255 E HA 0.776 5.127 4.350 0.002 0.000 0.243 255 E C 0.478 177.088 176.600 0.017 0.000 1.114 255 E CA -0.353 56.062 56.400 0.025 0.000 0.896 255 E CB 0.954 30.669 29.700 0.024 0.000 1.811 255 E HN 1.267 nan 8.360 nan 0.000 0.472 256 G N 1.159 109.967 108.800 0.014 0.000 2.591 256 G HA2 -0.441 3.521 3.960 0.002 0.000 0.298 256 G HA3 -0.441 3.521 3.960 0.002 0.000 0.298 256 G C 0.719 175.622 174.900 0.004 0.000 1.195 256 G CA 1.230 46.335 45.100 0.008 0.000 0.989 256 G HN 0.867 nan 8.290 nan 0.000 0.551 257 E N 0.628 120.828 120.200 0.001 0.000 2.340 257 E HA 0.585 4.936 4.350 0.002 0.000 0.194 257 E C 2.529 179.127 176.600 -0.004 0.000 0.996 257 E CA 1.697 58.095 56.400 -0.004 0.000 0.869 257 E CB -0.525 29.171 29.700 -0.007 0.000 0.835 257 E HN 1.210 nan 8.360 nan 0.000 0.493 258 A N 1.396 124.216 122.820 0.001 0.000 1.908 258 A HA -0.122 4.199 4.320 0.002 0.000 0.218 258 A C 2.144 179.731 177.584 0.005 0.000 1.181 258 A CA 1.549 53.588 52.037 0.003 0.000 0.627 258 A CB -0.734 18.271 19.000 0.009 0.000 0.818 258 A HN 0.319 nan 8.150 nan 0.000 0.445 259 L N -0.200 121.030 121.223 0.012 0.000 1.976 259 L HA -0.073 4.268 4.340 0.002 0.000 0.209 259 L C 2.728 179.601 176.870 0.004 0.000 1.071 259 L CA 2.446 57.297 54.840 0.019 0.000 0.746 259 L CB -1.031 41.045 42.059 0.029 0.000 0.890 259 L HN 0.344 nan 8.230 nan 0.000 0.432 260 A N -1.047 121.769 122.820 -0.006 0.000 1.883 260 A HA -0.265 4.056 4.320 0.002 0.000 0.217 260 A C 2.348 179.910 177.584 -0.036 0.000 1.186 260 A CA 2.948 54.970 52.037 -0.025 0.000 0.624 260 A CB -1.531 17.454 19.000 -0.025 0.000 0.822 260 A HN 0.667 nan 8.150 nan 0.000 0.444 261 T N -1.193 113.343 114.554 -0.029 0.000 2.746 261 T HA -0.093 4.258 4.350 0.002 0.000 0.267 261 T C 1.851 176.526 174.700 -0.043 0.000 1.039 261 T CA 1.492 63.572 62.100 -0.034 0.000 1.142 261 T CB -0.639 68.215 68.868 -0.024 0.000 0.866 261 T HN 0.291 nan 8.240 nan 0.000 0.444 262 L N 0.651 121.853 121.223 -0.036 0.000 2.046 262 L HA -0.037 4.305 4.340 0.002 0.000 0.208 262 L C 2.996 179.812 176.870 -0.090 0.000 1.077 262 L CA 0.818 55.628 54.840 -0.051 0.000 0.747 262 L CB -0.697 41.349 42.059 -0.022 0.000 0.896 262 L HN 0.167 nan 8.230 nan 0.000 0.432 263 V N -0.644 119.230 119.914 -0.067 0.000 2.343 263 V HA -0.246 3.875 4.120 0.002 0.000 0.247 263 V C 2.361 178.389 176.094 -0.111 0.000 1.051 263 V CA 1.570 63.821 62.300 -0.082 0.000 1.036 263 V CB -0.184 31.622 31.823 -0.030 0.000 0.654 263 V HN 0.204 nan 8.190 nan 0.000 0.451 264 V N 0.111 119.969 119.914 -0.093 0.000 2.453 264 V HA -0.163 3.959 4.120 0.002 0.000 0.247 264 V C 2.247 178.288 176.094 -0.088 0.000 1.048 264 V CA 1.661 63.907 62.300 -0.090 0.000 1.049 264 V CB -0.779 30.998 31.823 -0.075 0.000 0.672 264 V HN 0.565 nan 8.190 nan 0.000 0.457 265 N N 0.131 118.779 118.700 -0.086 0.000 2.205 265 N HA -0.144 4.597 4.740 0.002 0.000 0.186 265 N C 1.813 177.253 175.510 -0.116 0.000 1.015 265 N CA 1.981 54.982 53.050 -0.082 0.000 0.862 265 N CB -0.077 38.369 38.487 -0.068 0.000 0.986 265 N HN 0.486 nan 8.380 nan 0.000 0.429 266 T N 1.657 116.097 114.554 -0.190 0.000 2.706 266 T HA -0.024 4.328 4.350 0.002 0.000 0.255 266 T C 1.942 176.525 174.700 -0.195 0.000 1.048 266 T CA 0.502 62.418 62.100 -0.307 0.000 1.153 266 T CB -0.155 68.327 68.868 -0.642 0.000 0.865 266 T HN 0.157 nan 8.240 nan 0.000 0.414 267 M N 0.762 120.274 119.600 -0.146 0.000 2.144 267 M HA -0.095 4.386 4.480 0.002 0.000 0.260 267 M C 1.956 178.234 176.300 -0.036 0.000 1.067 267 M CA 1.651 56.918 55.300 -0.055 0.000 1.095 267 M CB -0.143 32.425 32.600 -0.053 0.000 1.365 267 M HN -0.038 nan 8.290 nan 0.000 0.406 268 R N 0.166 120.635 120.500 -0.052 0.000 2.334 268 R HA 0.162 4.503 4.340 0.002 0.000 0.220 268 R C 0.929 177.213 176.300 -0.027 0.000 0.917 268 R CA 0.854 56.933 56.100 -0.035 0.000 1.073 268 R CB -0.750 29.526 30.300 -0.040 0.000 1.056 268 R HN 0.655 nan 8.270 nan 0.000 0.506 269 G N 0.168 108.950 108.800 -0.031 0.000 2.143 269 G HA2 -0.244 3.717 3.960 0.002 0.000 0.249 269 G HA3 -0.244 3.717 3.960 0.002 0.000 0.249 269 G C 0.720 175.610 174.900 -0.017 0.000 0.981 269 G CA 0.398 45.488 45.100 -0.016 0.000 0.665 269 G HN 0.247 nan 8.290 nan 0.000 0.528 270 I N -0.078 120.475 120.570 -0.028 0.000 2.202 270 I HA 0.086 4.258 4.170 0.002 0.000 0.242 270 I C 1.410 177.519 176.117 -0.013 0.000 1.091 270 I CA 2.273 63.561 61.300 -0.021 0.000 1.368 270 I CB -1.529 36.455 38.000 -0.027 0.000 1.058 270 I HN 0.737 nan 8.210 nan 0.000 0.410 271 V N -2.308 117.590 119.914 -0.027 0.000 3.036 271 V HA 0.297 4.419 4.120 0.002 0.000 0.280 271 V C -0.324 175.739 176.094 -0.052 0.000 1.497 271 V CA -1.610 60.682 62.300 -0.012 0.000 0.982 271 V CB 1.497 33.328 31.823 0.013 0.000 1.171 271 V HN 0.036 nan 8.190 nan 0.000 0.444 272 K N 2.380 122.768 120.400 -0.020 0.000 2.315 272 K HA 0.345 4.666 4.320 0.002 0.000 0.281 272 K C -0.088 176.495 176.600 -0.027 0.000 1.086 272 K CA 0.173 56.433 56.287 -0.046 0.000 1.042 272 K CB 0.704 33.304 32.500 0.168 0.000 0.949 272 K HN 0.944 nan 8.250 nan 0.000 0.450 273 V N 0.379 120.202 119.914 -0.151 0.000 2.304 273 V HA 0.474 4.596 4.120 0.002 0.000 0.278 273 V C 0.016 176.086 176.094 -0.039 0.000 1.018 273 V CA -1.111 61.161 62.300 -0.047 0.000 0.814 273 V CB 1.229 33.028 31.823 -0.040 0.000 1.021 273 V HN 0.570 nan 8.190 nan 0.000 0.440 274 A N 4.470 127.378 122.820 0.147 0.000 2.437 274 A HA 0.804 5.125 4.320 0.002 0.000 0.303 274 A C 0.761 178.462 177.584 0.196 0.000 1.324 274 A CA 0.252 52.471 52.037 0.304 0.000 0.983 274 A CB -0.061 19.188 19.000 0.415 0.000 1.142 274 A HN 1.821 nan 8.150 nan 0.000 0.541 275 A N 2.822 125.740 122.820 0.163 0.000 2.320 275 A HA 0.596 4.917 4.320 0.002 0.000 0.287 275 A C 0.226 177.907 177.584 0.161 0.000 1.181 275 A CA 0.059 52.176 52.037 0.133 0.000 0.831 275 A CB 0.064 19.121 19.000 0.095 0.000 1.102 275 A HN 2.002 nan 8.150 nan 0.000 0.513 276 V N 0.383 120.382 119.914 0.143 0.000 3.007 276 V HA 0.608 4.729 4.120 0.002 0.000 0.311 276 V C -0.389 175.774 176.094 0.116 0.000 1.120 276 V CA -1.309 61.073 62.300 0.137 0.000 0.980 276 V CB 1.504 33.421 31.823 0.157 0.000 1.033 276 V HN 0.880 nan 8.190 nan 0.000 0.429 277 K N 2.023 122.484 120.400 0.103 0.000 2.180 277 K HA 0.698 5.019 4.320 0.002 0.000 0.251 277 K C 0.275 176.938 176.600 0.106 0.000 1.014 277 K CA 0.178 56.519 56.287 0.090 0.000 0.913 277 K CB 0.978 33.524 32.500 0.077 0.000 1.008 277 K HN 1.098 nan 8.250 nan 0.000 0.490 278 A N 2.454 125.323 122.820 0.080 0.000 2.322 278 A HA 0.346 4.667 4.320 0.002 0.000 0.269 278 A C -2.181 175.451 177.584 0.079 0.000 1.094 278 A CA -1.557 50.518 52.037 0.063 0.000 0.807 278 A CB -0.156 18.856 19.000 0.021 0.000 1.047 278 A HN 0.449 nan 8.150 nan 0.000 0.487 279 P HA 0.320 nan 4.420 nan 0.000 0.271 279 P C 0.936 178.255 177.300 0.032 0.000 1.216 279 P CA 1.432 64.593 63.100 0.103 0.000 0.776 279 P CB 0.637 32.411 31.700 0.124 0.000 0.881 280 G N 3.027 111.855 108.800 0.047 0.000 2.596 280 G HA2 -0.196 3.766 3.960 0.002 0.000 0.295 280 G HA3 -0.196 3.766 3.960 0.002 0.000 0.295 280 G C -0.527 174.445 174.900 0.120 0.000 1.240 280 G CA 0.644 45.745 45.100 0.003 0.000 0.985 280 G HN 0.730 nan 8.290 nan 0.000 0.555 281 F N -2.283 117.683 119.950 0.027 0.000 2.645 281 F HA 0.728 5.256 4.527 0.002 0.000 0.310 281 F C 0.682 176.499 175.800 0.028 0.000 1.102 281 F CA -0.034 57.983 58.000 0.028 0.000 0.952 281 F CB 1.059 40.079 39.000 0.033 0.000 1.326 281 F HN 2.419 nan 8.300 nan 0.000 0.456 282 G N 1.118 110.050 108.800 0.220 0.000 2.749 282 G HA2 -0.232 3.729 3.960 0.002 0.000 0.242 282 G HA3 -0.232 3.729 3.960 0.002 0.000 0.242 282 G C 0.002 174.906 174.900 0.008 0.000 1.364 282 G CA 0.096 45.265 45.100 0.116 0.000 0.888 282 G HN 0.983 nan 8.290 nan 0.000 0.566 283 D N -0.030 120.369 120.400 -0.001 0.000 2.392 283 D HA -0.069 4.572 4.640 0.002 0.000 0.228 283 D C 2.207 178.465 176.300 -0.070 0.000 1.003 283 D CA 0.719 54.703 54.000 -0.026 0.000 0.917 283 D CB 0.042 40.835 40.800 -0.011 0.000 0.890 283 D HN 0.522 nan 8.370 nan 0.000 0.532 284 R N 1.719 122.149 120.500 -0.117 0.000 2.103 284 R HA -0.197 4.144 4.340 0.002 0.000 0.242 284 R C 2.257 178.480 176.300 -0.129 0.000 1.142 284 R CA 1.156 57.163 56.100 -0.155 0.000 0.960 284 R CB -0.088 30.065 30.300 -0.245 0.000 0.858 284 R HN 0.052 nan 8.270 nan 0.000 0.439 285 R N 0.759 121.194 120.500 -0.108 0.000 2.115 285 R HA -0.206 4.136 4.340 0.002 0.000 0.239 285 R C 1.979 178.230 176.300 -0.082 0.000 1.133 285 R CA 2.497 58.550 56.100 -0.078 0.000 0.935 285 R CB -0.119 30.161 30.300 -0.033 0.000 0.853 285 R HN 0.252 nan 8.270 nan 0.000 0.433 286 K N -0.382 119.980 120.400 -0.063 0.000 2.097 286 K HA -0.050 4.272 4.320 0.002 0.000 0.205 286 K C 2.157 178.714 176.600 -0.070 0.000 1.050 286 K CA 1.158 57.411 56.287 -0.057 0.000 0.938 286 K CB -0.128 32.350 32.500 -0.036 0.000 0.718 286 K HN 0.261 nan 8.250 nan 0.000 0.442 287 A N 1.612 124.386 122.820 -0.076 0.000 1.883 287 A HA -0.162 4.159 4.320 0.002 0.000 0.217 287 A C 2.149 179.676 177.584 -0.096 0.000 1.186 287 A CA 1.593 53.583 52.037 -0.079 0.000 0.624 287 A CB -0.468 18.483 19.000 -0.082 0.000 0.822 287 A HN 0.177 nan 8.150 nan 0.000 0.444 288 M N -1.382 118.145 119.600 -0.121 0.000 2.319 288 M HA -0.021 4.460 4.480 0.002 0.000 0.265 288 M C 2.093 178.267 176.300 -0.209 0.000 1.068 288 M CA 0.769 55.972 55.300 -0.160 0.000 1.118 288 M CB -0.353 32.140 32.600 -0.178 0.000 1.395 288 M HN 0.421 nan 8.290 nan 0.000 0.435 289 L N 0.802 121.918 121.223 -0.179 0.000 2.046 289 L HA -0.214 4.128 4.340 0.002 0.000 0.208 289 L C 2.512 179.310 176.870 -0.120 0.000 1.077 289 L CA 1.930 56.671 54.840 -0.165 0.000 0.747 289 L CB -0.585 41.406 42.059 -0.114 0.000 0.896 289 L HN 0.241 nan 8.230 nan 0.000 0.432 290 Q N -0.555 119.190 119.800 -0.092 0.000 2.123 290 Q HA -0.179 4.163 4.340 0.002 0.000 0.199 290 Q C 1.757 177.716 176.000 -0.069 0.000 0.966 290 Q CA 1.764 57.526 55.803 -0.068 0.000 0.845 290 Q CB -0.244 28.462 28.738 -0.053 0.000 0.907 290 Q HN 0.518 nan 8.270 nan 0.000 0.439 291 D N -0.076 120.272 120.400 -0.085 0.000 2.123 291 D HA -0.156 4.485 4.640 0.002 0.000 0.196 291 D C 1.821 178.075 176.300 -0.077 0.000 0.992 291 D CA 1.310 55.265 54.000 -0.075 0.000 0.833 291 D CB -0.164 40.587 40.800 -0.082 0.000 0.954 291 D HN 0.380 nan 8.370 nan 0.000 0.455 292 I N 1.174 121.672 120.570 -0.120 0.000 2.226 292 I HA -0.245 3.927 4.170 0.002 0.000 0.245 292 I C 2.517 178.601 176.117 -0.054 0.000 1.100 292 I CA 0.967 62.203 61.300 -0.106 0.000 1.374 292 I CB -0.228 37.651 38.000 -0.202 0.000 1.057 292 I HN -0.078 nan 8.210 nan 0.000 0.413 293 A N 0.471 123.259 122.820 -0.054 0.000 1.883 293 A HA -0.217 4.104 4.320 0.002 0.000 0.217 293 A C 2.390 179.965 177.584 -0.015 0.000 1.186 293 A CA 2.568 54.589 52.037 -0.027 0.000 0.624 293 A CB -1.141 17.841 19.000 -0.030 0.000 0.822 293 A HN 0.391 nan 8.150 nan 0.000 0.444 294 T N -0.124 114.417 114.554 -0.021 0.000 2.821 294 T HA -0.091 4.260 4.350 0.002 0.000 0.267 294 T C 1.759 176.455 174.700 -0.007 0.000 1.046 294 T CA 1.383 63.474 62.100 -0.013 0.000 1.139 294 T CB -0.279 68.578 68.868 -0.018 0.000 0.871 294 T HN 0.293 nan 8.240 nan 0.000 0.454 295 L N 1.863 123.081 121.223 -0.009 0.000 2.201 295 L HA 0.010 4.351 4.340 0.002 0.000 0.212 295 L C 2.307 179.184 176.870 0.011 0.000 1.105 295 L CA 1.712 56.553 54.840 0.002 0.000 0.775 295 L CB -0.637 41.423 42.059 0.003 0.000 0.913 295 L HN 0.402 nan 8.230 nan 0.000 0.440 296 T N -5.373 109.189 114.554 0.014 0.000 2.985 296 T HA 0.371 4.723 4.350 0.002 0.000 0.254 296 T C 1.327 176.046 174.700 0.032 0.000 1.021 296 T CA 0.248 62.364 62.100 0.027 0.000 0.957 296 T CB 0.197 69.087 68.868 0.037 0.000 1.047 296 T HN 0.472 nan 8.240 nan 0.000 0.511 297 G N 0.753 109.567 108.800 0.023 0.000 2.160 297 G HA2 0.035 3.996 3.960 0.002 0.000 0.244 297 G HA3 0.035 3.996 3.960 0.002 0.000 0.244 297 G C 0.363 175.282 174.900 0.033 0.000 1.022 297 G CA -0.148 44.968 45.100 0.027 0.000 0.741 297 G HN 1.018 nan 8.290 nan 0.000 0.508 298 G N -1.472 107.344 108.800 0.027 0.000 2.613 298 G HA2 0.766 4.728 3.960 0.002 0.000 0.303 298 G HA3 0.766 4.728 3.960 0.002 0.000 0.303 298 G C -0.241 174.664 174.900 0.008 0.000 1.312 298 G CA 0.267 45.382 45.100 0.026 0.000 1.036 298 G HN 0.645 nan 8.290 nan 0.000 0.513 299 T N -0.327 114.229 114.554 0.004 0.000 2.856 299 T HA 0.486 4.837 4.350 0.002 0.000 0.283 299 T C -0.319 174.375 174.700 -0.010 0.000 1.008 299 T CA -0.328 61.768 62.100 -0.005 0.000 0.997 299 T CB 1.902 70.766 68.868 -0.007 0.000 0.992 299 T HN 0.296 nan 8.240 nan 0.000 0.454 300 V N 3.753 123.658 119.914 -0.015 0.000 2.432 300 V HA 0.386 4.507 4.120 0.002 0.000 0.275 300 V C -0.169 175.916 176.094 -0.015 0.000 1.043 300 V CA -0.664 61.625 62.300 -0.019 0.000 0.925 300 V CB 0.775 32.582 31.823 -0.027 0.000 0.985 300 V HN 0.687 nan 8.190 nan 0.000 0.466 301 I N 4.094 124.657 120.570 -0.013 0.000 2.437 301 I HA 0.569 4.740 4.170 0.002 0.000 0.298 301 I C 0.266 176.377 176.117 -0.009 0.000 0.984 301 I CA 0.561 61.855 61.300 -0.010 0.000 1.214 301 I CB 1.897 39.892 38.000 -0.008 0.000 1.365 301 I HN 0.641 nan 8.210 nan 0.000 0.469 302 S N 3.620 119.316 115.700 -0.008 0.000 2.572 302 S HA 0.301 4.773 4.470 0.002 0.000 0.274 302 S C 0.226 174.824 174.600 -0.003 0.000 1.150 302 S CA -0.574 57.623 58.200 -0.005 0.000 0.944 302 S CB 1.069 64.264 63.200 -0.007 0.000 1.071 302 S HN 0.751 nan 8.310 nan 0.000 0.479 303 E N 2.243 122.443 120.200 0.000 0.000 2.489 303 E HA 0.027 4.379 4.350 0.002 0.000 0.193 303 E C 0.793 177.394 176.600 0.003 0.000 1.057 303 E CA 0.220 56.621 56.400 0.001 0.000 0.866 303 E CB 0.207 29.909 29.700 0.003 0.000 0.916 303 E HN 0.658 nan 8.360 nan 0.000 0.500 304 E N 0.213 120.414 120.200 0.003 0.000 2.333 304 E HA -0.153 4.199 4.350 0.002 0.000 0.198 304 E C 1.674 178.275 176.600 0.002 0.000 1.007 304 E CA 0.893 57.295 56.400 0.004 0.000 0.845 304 E CB 0.065 29.767 29.700 0.004 0.000 0.766 304 E HN 0.552 nan 8.360 nan 0.000 0.507 305 I N -4.619 115.950 120.570 -0.000 0.000 3.833 305 I HA 0.473 4.644 4.170 0.002 0.000 0.328 305 I C 0.863 176.979 176.117 -0.001 0.000 1.554 305 I CA 0.117 61.416 61.300 -0.001 0.000 1.116 305 I CB 0.661 38.659 38.000 -0.003 0.000 1.182 305 I HN -0.015 nan 8.210 nan 0.000 0.459 306 G N 1.777 110.576 108.800 -0.001 0.000 2.141 306 G HA2 -0.227 3.735 3.960 0.002 0.000 0.231 306 G HA3 -0.227 3.735 3.960 0.002 0.000 0.231 306 G C 0.076 174.975 174.900 -0.002 0.000 0.984 306 G CA -0.056 45.044 45.100 -0.001 0.000 0.660 306 G HN 0.413 nan 8.290 nan 0.000 0.525 307 M N 1.218 120.816 119.600 -0.003 0.000 2.200 307 M HA 0.319 4.801 4.480 0.002 0.000 0.355 307 M C 0.604 176.903 176.300 -0.003 0.000 1.283 307 M CA 0.190 55.487 55.300 -0.004 0.000 1.124 307 M CB 0.545 33.142 32.600 -0.005 0.000 1.625 307 M HN 0.211 nan 8.290 nan 0.000 0.463 308 E N 1.686 121.884 120.200 -0.004 0.000 2.366 308 E HA 0.026 4.377 4.350 0.002 0.000 0.266 308 E C 0.425 177.021 176.600 -0.006 0.000 1.051 308 E CA -0.397 56.000 56.400 -0.004 0.000 0.884 308 E CB 1.190 30.886 29.700 -0.005 0.000 1.006 308 E HN 0.528 nan 8.360 nan 0.000 0.417 309 L N 2.793 124.013 121.223 -0.006 0.000 2.313 309 L HA -0.073 4.269 4.340 0.002 0.000 0.214 309 L C 1.487 178.349 176.870 -0.012 0.000 1.119 309 L CA 1.439 56.274 54.840 -0.008 0.000 0.809 309 L CB -0.219 41.837 42.059 -0.005 0.000 0.933 309 L HN 0.546 nan 8.230 nan 0.000 0.449 310 E N 0.019 120.213 120.200 -0.011 0.000 2.448 310 E HA -0.285 4.066 4.350 0.002 0.000 0.203 310 E C 1.604 178.195 176.600 -0.016 0.000 1.046 310 E CA 1.178 57.570 56.400 -0.013 0.000 0.871 310 E CB -0.102 29.592 29.700 -0.010 0.000 0.790 310 E HN 0.640 nan 8.360 nan 0.000 0.545 311 K N 0.351 120.741 120.400 -0.017 0.000 2.400 311 K HA 0.193 4.515 4.320 0.002 0.000 0.194 311 K C 0.715 177.299 176.600 -0.026 0.000 1.033 311 K CA 0.396 56.672 56.287 -0.019 0.000 1.021 311 K CB 0.370 32.861 32.500 -0.016 0.000 0.808 311 K HN -0.030 nan 8.250 nan 0.000 0.505 312 A N 1.366 124.169 122.820 -0.030 0.000 2.466 312 A HA 0.355 4.676 4.320 0.002 0.000 0.238 312 A C 0.341 177.892 177.584 -0.055 0.000 1.074 312 A CA 0.373 52.386 52.037 -0.040 0.000 0.774 312 A CB 0.014 18.990 19.000 -0.039 0.000 1.015 312 A HN 0.570 nan 8.150 nan 0.000 0.498 313 T N -1.373 113.139 114.554 -0.071 0.000 2.778 313 T HA 0.504 4.856 4.350 0.002 0.000 0.293 313 T C 0.837 175.451 174.700 -0.142 0.000 1.144 313 T CA -0.561 61.484 62.100 -0.091 0.000 1.010 313 T CB 0.341 69.169 68.868 -0.066 0.000 1.325 313 T HN 0.350 nan 8.240 nan 0.000 0.515 314 L N 0.061 121.177 121.223 -0.177 0.000 2.261 314 L HA -0.013 4.329 4.340 0.002 0.000 0.216 314 L C 2.664 179.441 176.870 -0.155 0.000 1.114 314 L CA 1.558 56.240 54.840 -0.264 0.000 0.777 314 L CB -0.550 41.373 42.059 -0.227 0.000 0.910 314 L HN 0.761 nan 8.230 nan 0.000 0.440 315 E N 0.431 120.580 120.200 -0.084 0.000 2.274 315 E HA -0.170 4.182 4.350 0.002 0.000 0.194 315 E C 1.517 178.099 176.600 -0.030 0.000 0.996 315 E CA 1.002 57.379 56.400 -0.039 0.000 0.840 315 E CB -0.002 29.682 29.700 -0.028 0.000 0.772 315 E HN 0.418 nan 8.360 nan 0.000 0.491 316 D N -0.263 120.109 120.400 -0.047 0.000 2.347 316 D HA 0.007 4.648 4.640 0.002 0.000 0.213 316 D C 0.151 176.443 176.300 -0.015 0.000 0.985 316 D CA 0.186 54.168 54.000 -0.030 0.000 0.879 316 D CB 0.448 41.226 40.800 -0.036 0.000 0.919 316 D HN 0.244 nan 8.370 nan 0.000 0.526 317 L N 0.942 122.155 121.223 -0.017 0.000 2.334 317 L HA 0.407 4.748 4.340 0.002 0.000 0.277 317 L C 1.150 178.085 176.870 0.109 0.000 1.075 317 L CA -0.731 54.129 54.840 0.033 0.000 0.804 317 L CB 1.434 43.477 42.059 -0.028 0.000 1.174 317 L HN -0.177 nan 8.230 nan 0.000 0.438 318 G N 1.573 110.443 108.800 0.116 0.000 2.522 318 G HA2 0.613 4.575 3.960 0.002 0.000 0.304 318 G HA3 0.613 4.575 3.960 0.002 0.000 0.304 318 G C -0.894 174.098 174.900 0.154 0.000 1.210 318 G CA -0.307 44.860 45.100 0.112 0.000 0.960 318 G HN 0.635 nan 8.290 nan 0.000 0.497 319 Q N -1.749 118.106 119.800 0.093 0.000 2.565 319 Q HA 0.641 4.983 4.340 0.002 0.000 0.294 319 Q C -0.920 175.092 176.000 0.020 0.000 1.005 319 Q CA -0.866 54.964 55.803 0.044 0.000 0.771 319 Q CB 2.569 31.305 28.738 -0.002 0.000 1.486 319 Q HN 0.907 nan 8.270 nan 0.000 0.422 320 A N 0.257 123.074 122.820 -0.005 0.000 2.599 320 A HA 0.433 4.755 4.320 0.002 0.000 0.290 320 A C -0.473 177.098 177.584 -0.021 0.000 1.101 320 A CA -0.535 51.501 52.037 -0.001 0.000 0.674 320 A CB 1.548 20.562 19.000 0.023 0.000 1.277 320 A HN 0.706 nan 8.150 nan 0.000 0.419 321 K N -0.627 119.764 120.400 -0.014 0.000 2.062 321 K HA 0.098 4.420 4.320 0.002 0.000 0.205 321 K C 0.510 177.101 176.600 -0.016 0.000 1.051 321 K CA 1.183 57.458 56.287 -0.020 0.000 0.941 321 K CB 0.049 32.541 32.500 -0.014 0.000 0.719 321 K HN 0.562 nan 8.250 nan 0.000 0.440 322 R N -0.602 119.895 120.500 -0.005 0.000 2.680 322 R HA 0.370 4.711 4.340 0.002 0.000 0.269 322 R C -1.874 174.432 176.300 0.010 0.000 1.026 322 R CA -0.774 55.325 56.100 -0.001 0.000 0.889 322 R CB 2.609 32.905 30.300 -0.008 0.000 1.241 322 R HN -0.128 nan 8.270 nan 0.000 0.463 323 V N 2.264 122.186 119.914 0.012 0.000 2.709 323 V HA 0.558 4.679 4.120 0.002 0.000 0.308 323 V C -0.793 175.292 176.094 -0.015 0.000 1.062 323 V CA -0.793 61.516 62.300 0.015 0.000 0.901 323 V CB 2.144 33.997 31.823 0.050 0.000 1.003 323 V HN 0.423 nan 8.190 nan 0.000 0.425 324 V N 5.580 125.472 119.914 -0.036 0.000 2.588 324 V HA 0.623 4.744 4.120 0.002 0.000 0.304 324 V C -0.555 175.491 176.094 -0.079 0.000 1.042 324 V CA -0.409 61.857 62.300 -0.057 0.000 0.877 324 V CB 1.925 33.716 31.823 -0.054 0.000 0.996 324 V HN 0.720 nan 8.190 nan 0.000 0.425 325 I N 4.381 124.914 120.570 -0.063 0.000 2.569 325 I HA 0.476 4.647 4.170 0.002 0.000 0.290 325 I C -0.385 175.735 176.117 0.006 0.000 1.088 325 I CA -0.514 60.752 61.300 -0.057 0.000 1.047 325 I CB 2.288 40.293 38.000 0.007 0.000 1.237 325 I HN 0.853 nan 8.210 nan 0.000 0.421 326 N N 4.699 123.323 118.700 -0.125 0.000 2.992 326 N HA 0.347 5.089 4.740 0.002 0.000 0.338 326 N C 0.415 175.527 175.510 -0.664 0.000 1.376 326 N CA -0.851 52.109 53.050 -0.150 0.000 0.778 326 N CB 0.616 39.042 38.487 -0.102 0.000 1.232 326 N HN 0.398 nan 8.380 nan 0.000 0.581 327 K N -1.299 118.791 120.400 -0.517 0.000 2.432 327 K HA 0.031 4.352 4.320 0.002 0.000 0.196 327 K C -0.365 176.006 176.600 -0.382 0.000 1.038 327 K CA 0.966 56.891 56.287 -0.603 0.000 0.986 327 K CB -0.020 32.350 32.500 -0.216 0.000 0.782 327 K HN 0.526 nan 8.250 nan 0.000 0.485 328 D N -0.526 119.708 120.400 -0.277 0.000 2.449 328 D HA 0.008 4.650 4.640 0.002 0.000 0.255 328 D C -0.090 176.107 176.300 -0.171 0.000 1.121 328 D CA 0.363 54.258 54.000 -0.175 0.000 0.830 328 D CB 1.339 42.072 40.800 -0.112 0.000 1.280 328 D HN 0.199 nan 8.370 nan 0.000 0.522 329 T N -1.081 113.342 114.554 -0.218 0.000 2.900 329 T HA 0.572 4.923 4.350 0.002 0.000 0.303 329 T C -0.514 173.984 174.700 -0.337 0.000 1.142 329 T CA -0.534 61.410 62.100 -0.260 0.000 1.007 329 T CB 2.606 71.352 68.868 -0.205 0.000 1.156 329 T HN -0.321 nan 8.240 nan 0.000 0.490 330 T N 1.998 116.221 114.554 -0.551 0.000 2.829 330 T HA 0.673 5.025 4.350 0.002 0.000 0.280 330 T C -0.635 173.690 174.700 -0.625 0.000 0.999 330 T CA -0.542 61.198 62.100 -0.601 0.000 0.983 330 T CB 1.626 70.025 68.868 -0.782 0.000 0.968 330 T HN 0.800 nan 8.240 nan 0.000 0.446 331 T N 3.479 117.852 114.554 -0.302 0.000 2.812 331 T HA 0.554 4.905 4.350 0.002 0.000 0.282 331 T C -0.084 174.592 174.700 -0.041 0.000 0.990 331 T CA -0.488 61.523 62.100 -0.149 0.000 0.960 331 T CB 0.572 69.383 68.868 -0.095 0.000 0.948 331 T HN 0.412 nan 8.240 nan 0.000 0.438 332 I N 4.033 124.640 120.570 0.062 0.000 2.331 332 I HA 0.462 4.634 4.170 0.002 0.000 0.292 332 I C -0.317 175.832 176.117 0.054 0.000 0.998 332 I CA -0.701 60.654 61.300 0.091 0.000 1.267 332 I CB 1.088 39.190 38.000 0.170 0.000 1.386 332 I HN 0.446 nan 8.210 nan 0.000 0.476 333 I N 5.429 126.017 120.570 0.032 0.000 2.418 333 I HA 0.237 4.409 4.170 0.002 0.000 0.287 333 I C -0.554 175.571 176.117 0.014 0.000 1.008 333 I CA -0.447 60.863 61.300 0.016 0.000 1.104 333 I CB 1.538 39.540 38.000 0.003 0.000 1.264 333 I HN 0.623 nan 8.210 nan 0.000 0.438 334 D N 4.825 125.232 120.400 0.012 0.000 2.990 334 D HA -0.115 4.526 4.640 0.002 0.000 0.245 334 D C 0.246 176.551 176.300 0.009 0.000 1.120 334 D CA 0.911 54.915 54.000 0.007 0.000 0.838 334 D CB -0.322 40.478 40.800 0.001 0.000 1.000 334 D HN 0.831 nan 8.370 nan 0.000 0.420 335 G N 0.184 108.993 108.800 0.016 0.000 2.442 335 G HA2 0.349 4.310 3.960 0.002 0.000 0.249 335 G HA3 0.349 4.310 3.960 0.002 0.000 0.249 335 G C 1.307 176.215 174.900 0.012 0.000 1.263 335 G CA -0.338 44.773 45.100 0.019 0.000 0.846 335 G HN 0.386 nan 8.290 nan 0.000 0.555 336 V N 2.537 122.459 119.914 0.013 0.000 3.510 336 V HA 0.075 4.196 4.120 0.002 0.000 0.270 336 V C 2.018 178.121 176.094 0.015 0.000 1.201 336 V CA 0.754 63.061 62.300 0.012 0.000 1.166 336 V CB -0.902 30.928 31.823 0.012 0.000 0.825 336 V HN 0.799 nan 8.190 nan 0.000 0.484 337 G N 0.557 109.366 108.800 0.015 0.000 2.554 337 G HA2 0.212 4.173 3.960 0.002 0.000 0.238 337 G HA3 0.212 4.173 3.960 0.002 0.000 0.238 337 G C -0.354 174.551 174.900 0.008 0.000 1.259 337 G CA -0.337 44.770 45.100 0.012 0.000 0.843 337 G HN 0.483 nan 8.290 nan 0.000 0.582 338 E N 0.432 120.636 120.200 0.007 0.000 2.217 338 E HA 0.162 4.514 4.350 0.002 0.000 0.279 338 E C 1.004 177.606 176.600 0.003 0.000 1.068 338 E CA -0.198 56.205 56.400 0.005 0.000 0.882 338 E CB 1.651 31.354 29.700 0.005 0.000 1.039 338 E HN 0.676 nan 8.360 nan 0.000 0.418 339 E N 3.900 124.102 120.200 0.002 0.000 2.108 339 E HA -0.327 4.024 4.350 0.002 0.000 0.203 339 E C 1.628 178.228 176.600 -0.000 0.000 1.022 339 E CA 2.189 58.590 56.400 0.001 0.000 0.823 339 E CB -0.094 29.606 29.700 0.001 0.000 0.744 339 E HN 0.614 nan 8.360 nan 0.000 0.456 340 A N 0.083 122.903 122.820 0.000 0.000 2.014 340 A HA 0.104 4.426 4.320 0.002 0.000 0.218 340 A C 2.337 179.920 177.584 -0.002 0.000 1.163 340 A CA 1.700 53.736 52.037 -0.001 0.000 0.652 340 A CB -0.676 18.324 19.000 -0.000 0.000 0.808 340 A HN 0.403 nan 8.150 nan 0.000 0.449 341 A N 0.032 122.851 122.820 -0.002 0.000 1.898 341 A HA 0.048 4.370 4.320 0.002 0.000 0.214 341 A C 2.059 179.640 177.584 -0.005 0.000 1.183 341 A CA 1.208 53.243 52.037 -0.003 0.000 0.622 341 A CB -0.505 18.494 19.000 -0.002 0.000 0.824 341 A HN 0.454 nan 8.150 nan 0.000 0.444 342 I N -0.350 120.218 120.570 -0.004 0.000 2.127 342 I HA -0.342 3.830 4.170 0.002 0.000 0.241 342 I C 2.817 178.930 176.117 -0.006 0.000 1.075 342 I CA 1.705 63.002 61.300 -0.005 0.000 1.334 342 I CB -0.497 37.502 38.000 -0.002 0.000 1.040 342 I HN 0.416 nan 8.210 nan 0.000 0.405 343 Q N 0.424 120.221 119.800 -0.004 0.000 2.124 343 Q HA -0.154 4.188 4.340 0.002 0.000 0.202 343 Q C 2.364 178.361 176.000 -0.006 0.000 0.977 343 Q CA 1.591 57.391 55.803 -0.005 0.000 0.850 343 Q CB -0.424 28.312 28.738 -0.003 0.000 0.901 343 Q HN 0.675 nan 8.270 nan 0.000 0.429 344 G N 0.957 109.754 108.800 -0.006 0.000 2.418 344 G HA2 -0.260 3.702 3.960 0.002 0.000 0.217 344 G HA3 -0.260 3.702 3.960 0.002 0.000 0.217 344 G C 1.547 176.441 174.900 -0.009 0.000 1.158 344 G CA 0.291 45.387 45.100 -0.006 0.000 0.771 344 G HN 0.078 nan 8.290 nan 0.000 0.545 345 R N 0.393 120.887 120.500 -0.010 0.000 2.092 345 R HA 0.020 4.362 4.340 0.002 0.000 0.231 345 R C 2.685 178.975 176.300 -0.015 0.000 1.119 345 R CA 0.941 57.033 56.100 -0.014 0.000 0.970 345 R CB -0.883 29.407 30.300 -0.016 0.000 0.864 345 R HN 0.295 nan 8.270 nan 0.000 0.440 346 V N 1.109 121.016 119.914 -0.013 0.000 2.343 346 V HA -0.231 3.890 4.120 0.002 0.000 0.247 346 V C 2.554 178.641 176.094 -0.012 0.000 1.051 346 V CA 1.896 64.189 62.300 -0.013 0.000 1.036 346 V CB -0.865 30.953 31.823 -0.010 0.000 0.654 346 V HN 0.403 nan 8.190 nan 0.000 0.451 347 A N -0.974 121.841 122.820 -0.010 0.000 1.902 347 A HA -0.316 4.005 4.320 0.002 0.000 0.217 347 A C 2.248 179.826 177.584 -0.010 0.000 1.181 347 A CA 2.141 54.173 52.037 -0.008 0.000 0.623 347 A CB -0.564 18.432 19.000 -0.007 0.000 0.818 347 A HN 0.605 nan 8.150 nan 0.000 0.443 348 Q N -0.459 119.334 119.800 -0.011 0.000 2.124 348 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 348 Q C 1.942 177.933 176.000 -0.016 0.000 0.977 348 Q CA 1.666 57.462 55.803 -0.013 0.000 0.850 348 Q CB -0.226 28.504 28.738 -0.014 0.000 0.901 348 Q HN 0.740 nan 8.270 nan 0.000 0.429 349 I N -0.061 120.498 120.570 -0.019 0.000 2.252 349 I HA -0.259 3.913 4.170 0.002 0.000 0.245 349 I C 2.690 178.795 176.117 -0.019 0.000 1.102 349 I CA 0.965 62.252 61.300 -0.022 0.000 1.385 349 I CB -0.326 37.659 38.000 -0.026 0.000 1.064 349 I HN 0.193 nan 8.210 nan 0.000 0.414 350 R N 0.798 121.289 120.500 -0.015 0.000 2.091 350 R HA -0.256 4.085 4.340 0.002 0.000 0.238 350 R C 2.370 178.664 176.300 -0.010 0.000 1.136 350 R CA 1.838 57.931 56.100 -0.012 0.000 0.959 350 R CB -0.245 30.049 30.300 -0.009 0.000 0.856 350 R HN 0.420 nan 8.270 nan 0.000 0.437 351 Q N 0.351 120.145 119.800 -0.009 0.000 2.020 351 Q HA -0.240 4.102 4.340 0.002 0.000 0.202 351 Q C 2.000 177.995 176.000 -0.009 0.000 0.982 351 Q CA 1.860 57.658 55.803 -0.007 0.000 0.838 351 Q CB -0.002 28.731 28.738 -0.007 0.000 0.899 351 Q HN 0.502 nan 8.270 nan 0.000 0.423 352 Q N 0.082 119.874 119.800 -0.013 0.000 2.181 352 Q HA -0.153 4.189 4.340 0.002 0.000 0.205 352 Q C 2.087 178.078 176.000 -0.015 0.000 0.980 352 Q CA 1.387 57.181 55.803 -0.015 0.000 0.862 352 Q CB -0.107 28.618 28.738 -0.022 0.000 0.905 352 Q HN 0.483 nan 8.270 nan 0.000 0.429 353 I N 0.867 121.428 120.570 -0.016 0.000 2.286 353 I HA -0.249 3.922 4.170 0.002 0.000 0.248 353 I C 1.504 177.618 176.117 -0.005 0.000 1.115 353 I CA 1.185 62.477 61.300 -0.013 0.000 1.392 353 I CB -0.174 37.818 38.000 -0.014 0.000 1.065 353 I HN 0.198 nan 8.210 nan 0.000 0.418 354 E N 1.015 121.213 120.200 -0.003 0.000 2.494 354 E HA -0.104 4.247 4.350 0.002 0.000 0.193 354 E C 0.476 177.078 176.600 0.002 0.000 1.074 354 E CA 0.276 56.677 56.400 0.001 0.000 0.867 354 E CB 0.007 29.708 29.700 0.001 0.000 0.924 354 E HN 0.658 nan 8.360 nan 0.000 0.502 355 E N -0.356 119.844 120.200 0.001 0.000 3.085 355 E HA 0.295 4.647 4.350 0.002 0.000 0.179 355 E C -0.330 176.272 176.600 0.003 0.000 0.951 355 E CA -0.365 56.036 56.400 0.003 0.000 1.326 355 E CB 0.554 30.255 29.700 0.001 0.000 1.043 355 E HN 0.007 nan 8.360 nan 0.000 0.457 356 A N 1.342 124.163 122.820 0.002 0.000 2.409 356 A HA 0.279 4.601 4.320 0.002 0.000 0.267 356 A C 1.237 178.831 177.584 0.016 0.000 1.127 356 A CA -0.009 52.029 52.037 0.002 0.000 0.795 356 A CB 0.268 19.264 19.000 -0.007 0.000 1.061 356 A HN 0.325 nan 8.150 nan 0.000 0.502 357 T N -0.216 114.352 114.554 0.024 0.000 3.160 357 T HA 0.277 4.628 4.350 0.002 0.000 0.257 357 T C 0.639 175.374 174.700 0.058 0.000 1.147 357 T CA 0.600 62.722 62.100 0.038 0.000 1.064 357 T CB -0.953 67.939 68.868 0.040 0.000 0.949 357 T HN 1.602 nan 8.240 nan 0.000 0.526 358 S N -0.766 114.974 115.700 0.067 0.000 2.660 358 S HA 0.241 4.712 4.470 0.002 0.000 0.264 358 S C -0.744 173.905 174.600 0.082 0.000 1.131 358 S CA -0.666 57.586 58.200 0.086 0.000 0.846 358 S CB 0.517 63.798 63.200 0.135 0.000 1.151 358 S HN -0.039 nan 8.310 nan 0.000 0.486 359 D N 0.094 120.551 120.400 0.095 0.000 2.162 359 D HA -0.003 4.639 4.640 0.002 0.000 0.203 359 D C 1.529 177.894 176.300 0.108 0.000 0.967 359 D CA 1.393 55.442 54.000 0.083 0.000 0.840 359 D CB -0.356 40.489 40.800 0.075 0.000 0.972 359 D HN 0.602 nan 8.370 nan 0.000 0.482 360 Y N 2.290 122.596 120.300 0.010 0.000 2.315 360 Y HA -0.188 4.364 4.550 0.003 0.000 0.288 360 Y C 1.578 177.478 175.900 -0.000 0.000 1.154 360 Y CA 1.502 59.607 58.100 0.009 0.000 1.229 360 Y CB 0.032 38.502 38.460 0.017 0.000 0.980 360 Y HN -0.146 nan 8.280 nan 0.000 0.540 361 D N -0.286 120.087 120.400 -0.045 0.000 2.162 361 D HA -0.084 4.557 4.640 0.002 0.000 0.205 361 D C 2.140 178.380 176.300 -0.101 0.000 0.964 361 D CA 0.821 54.743 54.000 -0.129 0.000 0.847 361 D CB -0.136 40.654 40.800 -0.017 0.000 0.988 361 D HN 0.395 nan 8.370 nan 0.000 0.480 362 R N 1.165 121.641 120.500 -0.040 0.000 2.094 362 R HA -0.158 4.184 4.340 0.002 0.000 0.239 362 R C 2.277 178.545 176.300 -0.054 0.000 1.137 362 R CA 1.326 57.407 56.100 -0.031 0.000 0.943 362 R CB -0.159 30.140 30.300 -0.002 0.000 0.850 362 R HN 0.290 nan 8.270 nan 0.000 0.433 363 E N 0.716 120.879 120.200 -0.062 0.000 2.021 363 E HA -0.254 4.098 4.350 0.002 0.000 0.200 363 E C 1.765 178.299 176.600 -0.109 0.000 1.015 363 E CA 1.921 58.278 56.400 -0.072 0.000 0.824 363 E CB -0.139 29.525 29.700 -0.061 0.000 0.762 363 E HN 0.405 nan 8.360 nan 0.000 0.454 364 K N 0.613 120.905 120.400 -0.180 0.000 2.555 364 K HA -0.047 4.274 4.320 0.002 0.000 0.193 364 K C 1.642 178.156 176.600 -0.143 0.000 1.032 364 K CA 0.565 56.736 56.287 -0.193 0.000 1.004 364 K CB 0.267 32.585 32.500 -0.304 0.000 0.804 364 K HN 0.077 nan 8.250 nan 0.000 0.496 365 L N 1.795 122.951 121.223 -0.111 0.000 2.262 365 L HA -0.058 4.284 4.340 0.002 0.000 0.197 365 L C 2.815 179.650 176.870 -0.058 0.000 1.073 365 L CA 1.557 56.351 54.840 -0.077 0.000 0.800 365 L CB -1.077 40.944 42.059 -0.063 0.000 0.987 365 L HN 0.448 nan 8.230 nan 0.000 0.470 366 Q N -0.208 119.561 119.800 -0.051 0.000 2.167 366 Q HA -0.235 4.107 4.340 0.002 0.000 0.202 366 Q C 1.656 177.635 176.000 -0.036 0.000 0.970 366 Q CA 1.401 57.181 55.803 -0.037 0.000 0.855 366 Q CB -0.494 28.226 28.738 -0.029 0.000 0.911 366 Q HN 0.453 nan 8.270 nan 0.000 0.438 367 E N 1.238 121.411 120.200 -0.045 0.000 2.233 367 E HA -0.232 4.120 4.350 0.002 0.000 0.199 367 E C 1.818 178.400 176.600 -0.029 0.000 1.004 367 E CA 1.279 57.656 56.400 -0.039 0.000 0.819 367 E CB 0.122 29.791 29.700 -0.052 0.000 0.738 367 E HN 0.475 nan 8.360 nan 0.000 0.478 368 R N -0.409 120.070 120.500 -0.035 0.000 2.173 368 R HA -0.041 4.301 4.340 0.002 0.000 0.208 368 R C 2.512 178.799 176.300 -0.020 0.000 1.035 368 R CA 0.923 57.005 56.100 -0.030 0.000 1.004 368 R CB 0.016 30.290 30.300 -0.044 0.000 0.917 368 R HN 0.154 nan 8.270 nan 0.000 0.462 369 V N -1.971 117.931 119.914 -0.020 0.000 2.667 369 V HA 0.051 4.173 4.120 0.002 0.000 0.252 369 V C 2.159 178.247 176.094 -0.009 0.000 1.065 369 V CA 1.519 63.810 62.300 -0.015 0.000 1.083 369 V CB -0.633 31.180 31.823 -0.015 0.000 0.692 369 V HN 0.182 nan 8.190 nan 0.000 0.468 370 A N 0.586 123.400 122.820 -0.009 0.000 2.125 370 A HA -0.090 4.231 4.320 0.002 0.000 0.219 370 A C 2.224 179.810 177.584 0.002 0.000 1.156 370 A CA 1.772 53.806 52.037 -0.005 0.000 0.671 370 A CB -0.451 18.544 19.000 -0.008 0.000 0.794 370 A HN 0.684 nan 8.150 nan 0.000 0.459 371 K N -1.162 119.242 120.400 0.007 0.000 2.352 371 K HA 0.337 4.659 4.320 0.002 0.000 0.194 371 K C 0.984 177.593 176.600 0.016 0.000 1.038 371 K CA 0.422 56.722 56.287 0.021 0.000 1.023 371 K CB 0.201 32.721 32.500 0.033 0.000 0.840 371 K HN 0.426 nan 8.250 nan 0.000 0.519 372 L N -1.287 119.939 121.223 0.005 0.000 2.803 372 L HA 0.299 4.640 4.340 0.002 0.000 0.246 372 L C 1.465 178.335 176.870 -0.000 0.000 1.100 372 L CA 0.217 55.058 54.840 0.002 0.000 0.919 372 L CB 0.736 42.791 42.059 -0.006 0.000 1.285 372 L HN 0.063 nan 8.230 nan 0.000 0.522 373 A N -0.473 122.346 122.820 -0.002 0.000 1.633 373 A HA 0.473 4.795 4.320 0.002 0.000 0.212 373 A C 1.134 178.717 177.584 -0.003 0.000 1.823 373 A CA 0.615 52.650 52.037 -0.002 0.000 1.343 373 A CB -0.564 18.434 19.000 -0.004 0.000 1.309 373 A HN 0.172 nan 8.150 nan 0.000 0.404 374 G N -0.219 108.579 108.800 -0.004 0.000 2.553 374 G HA2 0.480 4.442 3.960 0.002 0.000 0.278 374 G HA3 0.480 4.442 3.960 0.002 0.000 0.278 374 G C 0.372 175.270 174.900 -0.003 0.000 1.349 374 G CA 0.160 45.258 45.100 -0.004 0.000 1.037 374 G HN 0.986 nan 8.290 nan 0.000 0.508 375 G N -2.400 106.397 108.800 -0.005 0.000 2.511 375 G HA2 0.508 4.470 3.960 0.002 0.000 0.318 375 G HA3 0.508 4.470 3.960 0.002 0.000 0.318 375 G C -1.267 173.629 174.900 -0.007 0.000 1.210 375 G CA -0.423 44.675 45.100 -0.005 0.000 0.969 375 G HN 0.630 nan 8.290 nan 0.000 0.484 376 V N 0.557 120.467 119.914 -0.007 0.000 2.394 376 V HA 0.705 4.826 4.120 0.002 0.000 0.282 376 V C 0.446 176.532 176.094 -0.013 0.000 1.031 376 V CA -0.275 62.019 62.300 -0.010 0.000 0.881 376 V CB 0.740 32.558 31.823 -0.008 0.000 0.982 376 V HN 1.112 nan 8.190 nan 0.000 0.451 377 A N 4.648 127.460 122.820 -0.015 0.000 2.469 377 A HA 0.964 5.286 4.320 0.002 0.000 0.299 377 A C -1.268 176.305 177.584 -0.018 0.000 1.098 377 A CA -0.623 51.405 52.037 -0.016 0.000 0.737 377 A CB 2.254 21.245 19.000 -0.014 0.000 1.312 377 A HN 0.644 nan 8.150 nan 0.000 0.414 378 V N 1.680 121.584 119.914 -0.018 0.000 2.623 378 V HA 0.369 4.491 4.120 0.002 0.000 0.304 378 V C -0.790 175.294 176.094 -0.016 0.000 1.054 378 V CA -0.132 62.157 62.300 -0.018 0.000 0.882 378 V CB 1.726 33.538 31.823 -0.019 0.000 1.002 378 V HN 0.739 nan 8.190 nan 0.000 0.424 379 I N 4.558 125.118 120.570 -0.016 0.000 2.291 379 I HA 0.332 4.504 4.170 0.002 0.000 0.290 379 I C 0.244 176.354 176.117 -0.012 0.000 1.050 379 I CA -0.388 60.904 61.300 -0.013 0.000 1.245 379 I CB 0.838 38.830 38.000 -0.013 0.000 1.405 379 I HN 0.527 nan 8.210 nan 0.000 0.478 380 K N 5.918 126.311 120.400 -0.011 0.000 2.316 380 K HA 0.388 4.710 4.320 0.002 0.000 0.289 380 K C -0.578 176.018 176.600 -0.007 0.000 1.070 380 K CA -0.480 55.801 56.287 -0.009 0.000 0.928 380 K CB 1.262 33.755 32.500 -0.010 0.000 1.039 380 K HN 0.313 nan 8.250 nan 0.000 0.480 381 V N 2.234 122.145 119.914 -0.005 0.000 2.607 381 V HA 0.495 4.616 4.120 0.002 0.000 0.289 381 V C 0.725 176.818 176.094 -0.002 0.000 1.053 381 V CA -0.502 61.797 62.300 -0.003 0.000 0.996 381 V CB 1.504 33.326 31.823 -0.001 0.000 0.995 381 V HN 0.957 nan 8.190 nan 0.000 0.476 382 G N 1.898 110.697 108.800 -0.002 0.000 2.659 382 G HA2 0.887 4.849 3.960 0.002 0.000 0.296 382 G HA3 0.887 4.849 3.960 0.002 0.000 0.296 382 G C -1.038 173.861 174.900 -0.000 0.000 1.369 382 G CA -0.020 45.079 45.100 -0.001 0.000 0.937 382 G HN 1.225 nan 8.290 nan 0.000 0.485 383 A N -0.583 122.237 122.820 0.000 0.000 2.540 383 A HA 0.877 5.199 4.320 0.002 0.000 0.291 383 A C 0.653 178.238 177.584 0.001 0.000 1.083 383 A CA 0.516 52.553 52.037 0.001 0.000 0.650 383 A CB 0.506 19.507 19.000 0.002 0.000 1.292 383 A HN 2.029 nan 8.150 nan 0.000 0.435 384 A N -0.341 122.480 122.820 0.001 0.000 1.850 384 A HA 0.430 4.752 4.320 0.002 0.000 0.212 384 A C 1.429 179.014 177.584 0.002 0.000 1.208 384 A CA 2.284 54.322 52.037 0.001 0.000 0.609 384 A CB -0.939 18.061 19.000 0.000 0.000 0.860 384 A HN 2.020 nan 8.150 nan 0.000 0.448 385 T N -3.434 111.121 114.554 0.002 0.000 2.897 385 T HA 0.465 4.816 4.350 0.002 0.000 0.278 385 T C 0.591 175.294 174.700 0.005 0.000 0.981 385 T CA 0.141 62.243 62.100 0.004 0.000 0.973 385 T CB 1.816 70.686 68.868 0.004 0.000 1.092 385 T HN 0.325 nan 8.240 nan 0.000 0.543 386 E N -0.347 119.857 120.200 0.007 0.000 2.170 386 E HA -0.065 4.286 4.350 0.002 0.000 0.191 386 E C 2.149 178.755 176.600 0.010 0.000 0.981 386 E CA 0.864 57.269 56.400 0.009 0.000 0.830 386 E CB -0.151 29.556 29.700 0.011 0.000 0.775 386 E HN 0.605 nan 8.360 nan 0.000 0.470 387 V N -0.409 119.511 119.914 0.010 0.000 2.392 387 V HA -0.254 3.867 4.120 0.002 0.000 0.249 387 V C 2.147 178.247 176.094 0.009 0.000 1.059 387 V CA 2.304 64.610 62.300 0.010 0.000 1.051 387 V CB -0.702 31.126 31.823 0.009 0.000 0.658 387 V HN 0.234 nan 8.190 nan 0.000 0.455 388 E N -0.324 119.880 120.200 0.007 0.000 2.076 388 E HA -0.186 4.165 4.350 0.002 0.000 0.190 388 E C 2.119 178.723 176.600 0.006 0.000 0.979 388 E CA 1.249 57.652 56.400 0.006 0.000 0.807 388 E CB -0.145 29.557 29.700 0.004 0.000 0.761 388 E HN 0.558 nan 8.360 nan 0.000 0.454 389 M N 1.158 120.762 119.600 0.006 0.000 2.144 389 M HA -0.183 4.299 4.480 0.002 0.000 0.260 389 M C 1.657 177.962 176.300 0.009 0.000 1.067 389 M CA 1.771 57.075 55.300 0.006 0.000 1.095 389 M CB 0.106 32.709 32.600 0.006 0.000 1.365 389 M HN -0.104 nan 8.290 nan 0.000 0.406 390 K N -0.753 119.653 120.400 0.010 0.000 2.228 390 K HA -0.131 4.190 4.320 0.002 0.000 0.202 390 K C 1.764 178.372 176.600 0.014 0.000 1.051 390 K CA 1.261 57.555 56.287 0.013 0.000 0.960 390 K CB -0.111 32.397 32.500 0.015 0.000 0.743 390 K HN 0.490 nan 8.250 nan 0.000 0.458 391 E N 1.862 122.069 120.200 0.011 0.000 2.047 391 E HA -0.227 4.124 4.350 0.002 0.000 0.191 391 E C 1.795 178.402 176.600 0.011 0.000 0.987 391 E CA 1.525 57.932 56.400 0.011 0.000 0.799 391 E CB -0.089 29.616 29.700 0.008 0.000 0.752 391 E HN -0.046 nan 8.360 nan 0.000 0.449 392 K N 0.880 121.285 120.400 0.009 0.000 2.009 392 K HA -0.120 4.201 4.320 0.002 0.000 0.210 392 K C 2.202 178.808 176.600 0.010 0.000 1.049 392 K CA 2.096 58.388 56.287 0.008 0.000 0.929 392 K CB -0.278 32.225 32.500 0.005 0.000 0.714 392 K HN 0.177 nan 8.250 nan 0.000 0.440 393 K N -0.574 119.833 120.400 0.011 0.000 2.097 393 K HA -0.096 4.226 4.320 0.002 0.000 0.206 393 K C 1.914 178.527 176.600 0.021 0.000 1.049 393 K CA 1.185 57.480 56.287 0.013 0.000 0.933 393 K CB -0.199 32.308 32.500 0.012 0.000 0.717 393 K HN 0.234 nan 8.250 nan 0.000 0.442 394 A N 1.555 124.390 122.820 0.024 0.000 1.858 394 A HA -0.181 4.141 4.320 0.002 0.000 0.216 394 A C 2.075 179.682 177.584 0.038 0.000 1.190 394 A CA 1.491 53.548 52.037 0.034 0.000 0.617 394 A CB -0.500 18.517 19.000 0.027 0.000 0.827 394 A HN 0.301 nan 8.150 nan 0.000 0.443 395 R N -0.737 119.779 120.500 0.026 0.000 2.096 395 R HA -0.087 4.254 4.340 0.002 0.000 0.235 395 R C 2.047 178.363 176.300 0.027 0.000 1.127 395 R CA 1.446 57.561 56.100 0.025 0.000 0.968 395 R CB -0.605 29.704 30.300 0.015 0.000 0.861 395 R HN 0.411 nan 8.270 nan 0.000 0.440 396 V N 1.251 121.177 119.914 0.020 0.000 2.343 396 V HA -0.222 3.900 4.120 0.002 0.000 0.247 396 V C 2.089 178.192 176.094 0.015 0.000 1.051 396 V CA 1.763 64.071 62.300 0.012 0.000 1.036 396 V CB -0.390 31.435 31.823 0.004 0.000 0.654 396 V HN 0.349 nan 8.190 nan 0.000 0.451 397 E N -0.438 119.779 120.200 0.028 0.000 2.072 397 E HA -0.214 4.137 4.350 0.002 0.000 0.191 397 E C 1.990 178.671 176.600 0.135 0.000 0.985 397 E CA 1.259 57.679 56.400 0.034 0.000 0.801 397 E CB -0.146 29.586 29.700 0.055 0.000 0.750 397 E HN 0.527 nan 8.360 nan 0.000 0.452 398 D N 0.222 120.720 120.400 0.164 0.000 2.144 398 D HA -0.076 4.566 4.640 0.002 0.000 0.200 398 D C 1.793 178.171 176.300 0.130 0.000 0.978 398 D CA 0.985 55.097 54.000 0.187 0.000 0.833 398 D CB -0.047 40.806 40.800 0.089 0.000 0.961 398 D HN 0.120 nan 8.370 nan 0.000 0.470 399 A N 0.780 123.644 122.820 0.072 0.000 1.969 399 A HA -0.099 4.223 4.320 0.002 0.000 0.218 399 A C 2.096 179.702 177.584 0.038 0.000 1.169 399 A CA 0.622 52.687 52.037 0.046 0.000 0.635 399 A CB -0.449 18.566 19.000 0.025 0.000 0.810 399 A HN 0.254 nan 8.150 nan 0.000 0.445 400 L N -0.721 120.512 121.223 0.018 0.000 2.072 400 L HA -0.122 4.219 4.340 0.002 0.000 0.205 400 L C 2.313 179.165 176.870 -0.030 0.000 1.079 400 L CA 2.001 56.820 54.840 -0.034 0.000 0.752 400 L CB -1.268 40.738 42.059 -0.089 0.000 0.906 400 L HN 0.498 nan 8.230 nan 0.000 0.436 401 H N 0.012 119.087 119.070 0.008 0.000 2.290 401 H HA -0.139 4.419 4.556 0.002 0.000 0.298 401 H C 2.121 177.456 175.328 0.011 0.000 1.087 401 H CA 1.730 57.785 56.048 0.011 0.000 1.291 401 H CB -0.170 29.600 29.762 0.014 0.000 1.369 401 H HN 0.433 nan 8.280 nan 0.000 0.492 402 A N 0.855 123.761 122.820 0.143 0.000 1.902 402 A HA -0.193 4.129 4.320 0.002 0.000 0.217 402 A C 2.736 180.350 177.584 0.050 0.000 1.181 402 A CA 2.602 54.686 52.037 0.078 0.000 0.623 402 A CB -0.997 18.037 19.000 0.057 0.000 0.818 402 A HN 0.633 nan 8.150 nan 0.000 0.443 403 T N -1.995 112.582 114.554 0.038 0.000 2.708 403 T HA -0.165 4.187 4.350 0.002 0.000 0.266 403 T C 1.978 176.690 174.700 0.020 0.000 1.037 403 T CA 1.150 63.263 62.100 0.021 0.000 1.146 403 T CB -0.384 68.490 68.868 0.010 0.000 0.865 403 T HN 0.382 nan 8.240 nan 0.000 0.435 404 R N 1.891 122.404 120.500 0.022 0.000 2.091 404 R HA 0.109 4.451 4.340 0.002 0.000 0.238 404 R C 2.941 179.261 176.300 0.033 0.000 1.136 404 R CA 1.544 57.657 56.100 0.021 0.000 0.959 404 R CB -1.403 28.906 30.300 0.015 0.000 0.856 404 R HN 0.598 nan 8.270 nan 0.000 0.437 405 A N 1.187 124.037 122.820 0.050 0.000 1.933 405 A HA -0.061 4.260 4.320 0.002 0.000 0.218 405 A C 2.398 180.000 177.584 0.030 0.000 1.175 405 A CA 1.775 53.840 52.037 0.047 0.000 0.628 405 A CB -0.463 18.573 19.000 0.060 0.000 0.814 405 A HN 0.368 nan 8.150 nan 0.000 0.444 406 A N -0.638 122.197 122.820 0.025 0.000 1.873 406 A HA 0.030 4.352 4.320 0.002 0.000 0.215 406 A C 2.179 179.771 177.584 0.013 0.000 1.186 406 A CA 1.616 53.663 52.037 0.017 0.000 0.616 406 A CB -0.928 18.081 19.000 0.015 0.000 0.823 406 A HN 0.383 nan 8.150 nan 0.000 0.442 407 V N 1.377 121.298 119.914 0.013 0.000 2.469 407 V HA -0.251 3.870 4.120 0.002 0.000 0.251 407 V C 2.352 178.452 176.094 0.010 0.000 1.064 407 V CA 2.218 64.524 62.300 0.009 0.000 1.066 407 V CB -0.902 30.925 31.823 0.007 0.000 0.667 407 V HN 0.916 nan 8.190 nan 0.000 0.461 408 E N -0.394 119.814 120.200 0.013 0.000 2.479 408 E HA -0.053 4.298 4.350 0.002 0.000 0.193 408 E C 1.597 178.203 176.600 0.011 0.000 1.049 408 E CA 0.836 57.244 56.400 0.013 0.000 0.870 408 E CB 0.252 29.963 29.700 0.018 0.000 0.944 408 E HN 0.714 nan 8.360 nan 0.000 0.492 409 E N -0.287 119.918 120.200 0.009 0.000 2.624 409 E HA 0.200 4.552 4.350 0.002 0.000 0.192 409 E C 0.406 177.009 176.600 0.004 0.000 0.961 409 E CA 0.454 56.857 56.400 0.006 0.000 1.632 409 E CB 1.101 30.804 29.700 0.005 0.000 2.082 409 E HN 0.272 nan 8.360 nan 0.000 1.040 410 G N 0.395 109.199 108.800 0.006 0.000 2.409 410 G HA2 -0.014 3.947 3.960 0.002 0.000 0.421 410 G HA3 -0.014 3.947 3.960 0.002 0.000 0.421 410 G C -0.843 174.060 174.900 0.006 0.000 1.259 410 G CA -0.500 44.603 45.100 0.005 0.000 1.011 410 G HN 0.777 nan 8.290 nan 0.000 0.497 411 V N -2.488 117.429 119.914 0.006 0.000 2.962 411 V HA 0.988 5.110 4.120 0.002 0.000 0.313 411 V C 0.490 176.587 176.094 0.006 0.000 1.099 411 V CA 0.043 62.347 62.300 0.006 0.000 0.971 411 V CB 1.167 32.994 31.823 0.006 0.000 1.028 411 V HN 2.461 nan 8.190 nan 0.000 0.430 412 V N -0.474 119.444 119.914 0.007 0.000 3.167 412 V HA 1.020 5.142 4.120 0.002 0.000 0.310 412 V C 0.459 176.559 176.094 0.010 0.000 1.207 412 V CA -0.714 61.592 62.300 0.009 0.000 1.059 412 V CB 1.354 33.182 31.823 0.008 0.000 1.079 412 V HN 2.088 nan 8.190 nan 0.000 0.446 413 A N 0.794 123.623 122.820 0.015 0.000 2.524 413 A HA 0.632 4.954 4.320 0.002 0.000 0.250 413 A C 0.828 178.418 177.584 0.011 0.000 1.078 413 A CA 0.645 52.691 52.037 0.016 0.000 0.761 413 A CB -0.639 18.377 19.000 0.027 0.000 1.012 413 A HN 1.978 nan 8.150 nan 0.000 0.500 414 G N 0.628 109.430 108.800 0.003 0.000 2.535 414 G HA2 0.524 4.485 3.960 0.002 0.000 0.282 414 G HA3 0.524 4.485 3.960 0.002 0.000 0.282 414 G C 1.139 176.039 174.900 -0.000 0.000 1.350 414 G CA -0.035 45.065 45.100 -0.001 0.000 1.039 414 G HN 2.237 nan 8.290 nan 0.000 0.509 415 G N -2.134 106.665 108.800 -0.002 0.000 2.203 415 G HA2 0.189 4.150 3.960 0.002 0.000 0.263 415 G HA3 0.189 4.150 3.960 0.002 0.000 0.263 415 G C 1.527 176.433 174.900 0.010 0.000 1.012 415 G CA 1.197 46.298 45.100 0.002 0.000 0.749 415 G HN 2.517 nan 8.290 nan 0.000 0.512 416 G N -2.396 106.410 108.800 0.009 0.000 2.189 416 G HA2 -0.195 3.766 3.960 0.002 0.000 0.267 416 G HA3 -0.195 3.766 3.960 0.002 0.000 0.267 416 G C 1.494 176.404 174.900 0.017 0.000 0.975 416 G CA 1.476 46.583 45.100 0.012 0.000 0.644 416 G HN 1.697 nan 8.290 nan 0.000 0.537 417 V N 0.573 120.499 119.914 0.020 0.000 2.594 417 V HA 0.092 4.213 4.120 0.002 0.000 0.253 417 V C 3.036 179.148 176.094 0.031 0.000 1.069 417 V CA 2.762 65.080 62.300 0.030 0.000 1.082 417 V CB -0.587 31.257 31.823 0.036 0.000 0.680 417 V HN 1.160 nan 8.190 nan 0.000 0.469 418 A N -0.191 122.643 122.820 0.024 0.000 1.948 418 A HA -0.218 4.103 4.320 0.002 0.000 0.220 418 A C 2.134 179.728 177.584 0.017 0.000 1.177 418 A CA 2.237 54.286 52.037 0.020 0.000 0.636 418 A CB -0.555 18.454 19.000 0.014 0.000 0.815 418 A HN 0.580 nan 8.150 nan 0.000 0.449 419 L N -0.714 120.517 121.223 0.013 0.000 2.012 419 L HA -0.220 4.122 4.340 0.002 0.000 0.210 419 L C 2.528 179.407 176.870 0.015 0.000 1.073 419 L CA 1.614 56.460 54.840 0.010 0.000 0.748 419 L CB -0.627 41.437 42.059 0.008 0.000 0.891 419 L HN 0.395 nan 8.230 nan 0.000 0.431 420 I N -0.832 119.751 120.570 0.022 0.000 2.208 420 I HA -0.268 3.904 4.170 0.002 0.000 0.245 420 I C 2.816 178.950 176.117 0.028 0.000 1.097 420 I CA 0.921 62.237 61.300 0.026 0.000 1.363 420 I CB -0.405 37.616 38.000 0.035 0.000 1.051 420 I HN 0.267 nan 8.210 nan 0.000 0.413 421 R N 0.798 121.316 120.500 0.031 0.000 2.080 421 R HA -0.134 4.207 4.340 0.002 0.000 0.236 421 R C 2.368 178.680 176.300 0.020 0.000 1.137 421 R CA 1.895 58.013 56.100 0.030 0.000 0.943 421 R CB -1.378 28.942 30.300 0.034 0.000 0.846 421 R HN 0.466 nan 8.270 nan 0.000 0.431 422 V N -1.339 118.584 119.914 0.015 0.000 2.809 422 V HA 0.051 4.172 4.120 0.002 0.000 0.256 422 V C 2.314 178.413 176.094 0.008 0.000 1.080 422 V CA 1.492 63.797 62.300 0.009 0.000 1.102 422 V CB -0.936 30.890 31.823 0.005 0.000 0.705 422 V HN 0.174 nan 8.190 nan 0.000 0.475 423 A N 1.940 124.766 122.820 0.010 0.000 1.933 423 A HA -0.161 4.160 4.320 0.002 0.000 0.218 423 A C 2.626 180.215 177.584 0.009 0.000 1.175 423 A CA 2.451 54.493 52.037 0.009 0.000 0.628 423 A CB -1.065 17.941 19.000 0.011 0.000 0.814 423 A HN 0.964 nan 8.150 nan 0.000 0.444 424 S N 0.298 116.005 115.700 0.012 0.000 2.400 424 S HA -0.190 4.282 4.470 0.002 0.000 0.232 424 S C 1.589 176.194 174.600 0.008 0.000 1.025 424 S CA 1.548 59.755 58.200 0.011 0.000 0.993 424 S CB -0.484 62.724 63.200 0.014 0.000 0.808 424 S HN 0.614 nan 8.310 nan 0.000 0.478 425 K N 0.755 121.159 120.400 0.007 0.000 2.555 425 K HA 0.221 4.542 4.320 0.002 0.000 0.193 425 K C 0.750 177.352 176.600 0.004 0.000 1.032 425 K CA 0.471 56.761 56.287 0.005 0.000 1.004 425 K CB -0.251 32.252 32.500 0.005 0.000 0.804 425 K HN 0.464 nan 8.250 nan 0.000 0.496 426 L N -0.877 120.348 121.223 0.004 0.000 3.069 426 L HA 0.245 4.586 4.340 0.002 0.000 0.271 426 L C 1.776 178.648 176.870 0.003 0.000 1.201 426 L CA -0.197 54.645 54.840 0.003 0.000 1.015 426 L CB 0.341 42.401 42.059 0.002 0.000 1.371 426 L HN 0.010 nan 8.230 nan 0.000 0.574 427 A N 0.431 123.253 122.820 0.003 0.000 1.948 427 A HA -0.215 4.107 4.320 0.002 0.000 0.220 427 A C 1.699 179.284 177.584 0.002 0.000 1.177 427 A CA 1.997 54.036 52.037 0.003 0.000 0.636 427 A CB -0.223 18.779 19.000 0.003 0.000 0.815 427 A HN 0.396 nan 8.150 nan 0.000 0.449 428 D N -1.174 119.227 120.400 0.002 0.000 2.339 428 D HA 0.120 4.762 4.640 0.002 0.000 0.217 428 D C 0.247 176.548 176.300 0.002 0.000 1.050 428 D CA -0.197 53.804 54.000 0.002 0.000 0.856 428 D CB -0.020 40.780 40.800 0.001 0.000 0.922 428 D HN 0.348 nan 8.370 nan 0.000 0.518 429 L N 2.180 123.404 121.223 0.002 0.000 2.455 429 L HA 0.081 4.422 4.340 0.002 0.000 0.272 429 L C 0.072 176.943 176.870 0.002 0.000 1.174 429 L CA 0.493 55.334 54.840 0.002 0.000 0.869 429 L CB 0.175 42.235 42.059 0.002 0.000 1.130 429 L HN -0.244 nan 8.230 nan 0.000 0.474 430 R N 3.131 123.632 120.500 0.002 0.000 2.912 430 R HA 0.744 5.085 4.340 0.002 0.000 0.262 430 R C -0.084 176.217 176.300 0.003 0.000 1.057 430 R CA -0.320 55.781 56.100 0.002 0.000 0.981 430 R CB 1.302 31.604 30.300 0.002 0.000 1.201 430 R HN 0.807 nan 8.270 nan 0.000 0.484 431 G N -0.391 108.410 108.800 0.003 0.000 3.122 431 G HA2 0.210 4.172 3.960 0.002 0.000 0.180 431 G HA3 0.210 4.172 3.960 0.002 0.000 0.180 431 G C 0.098 175.000 174.900 0.003 0.000 1.279 431 G CA -0.169 44.933 45.100 0.003 0.000 0.987 431 G HN 0.396 nan 8.290 nan 0.000 0.589 432 Q N -0.150 119.653 119.800 0.004 0.000 2.163 432 Q HA 0.098 4.440 4.340 0.002 0.000 0.198 432 Q C 0.247 176.249 176.000 0.004 0.000 0.954 432 Q CA 0.807 56.612 55.803 0.004 0.000 0.851 432 Q CB 0.088 28.829 28.738 0.004 0.000 0.928 432 Q HN 0.614 nan 8.270 nan 0.000 0.459 433 N N -1.163 117.539 118.700 0.004 0.000 2.610 433 N HA 0.044 4.785 4.740 0.002 0.000 0.264 433 N C -0.200 175.312 175.510 0.005 0.000 1.348 433 N CA -0.302 52.750 53.050 0.004 0.000 0.819 433 N CB 1.413 39.903 38.487 0.005 0.000 1.521 433 N HN -0.218 nan 8.380 nan 0.000 0.497 434 E N 0.447 120.650 120.200 0.005 0.000 2.204 434 E HA -0.119 4.233 4.350 0.002 0.000 0.195 434 E C 0.220 176.824 176.600 0.005 0.000 0.990 434 E CA 1.557 57.960 56.400 0.005 0.000 0.821 434 E CB -0.195 29.507 29.700 0.004 0.000 0.750 434 E HN 0.640 nan 8.360 nan 0.000 0.477 435 D N -0.113 120.291 120.400 0.006 0.000 2.149 435 D HA -0.202 4.439 4.640 0.002 0.000 0.198 435 D C 1.754 178.058 176.300 0.007 0.000 0.990 435 D CA 1.280 55.285 54.000 0.007 0.000 0.839 435 D CB -0.080 40.725 40.800 0.008 0.000 0.948 435 D HN 0.336 nan 8.370 nan 0.000 0.460 436 Q N -0.072 119.732 119.800 0.006 0.000 2.123 436 Q HA -0.042 4.300 4.340 0.002 0.000 0.199 436 Q C 1.621 177.624 176.000 0.005 0.000 0.966 436 Q CA 0.650 56.457 55.803 0.006 0.000 0.845 436 Q CB -0.001 28.740 28.738 0.006 0.000 0.907 436 Q HN 0.309 nan 8.270 nan 0.000 0.439 437 N N 0.395 119.098 118.700 0.005 0.000 2.188 437 N HA -0.110 4.632 4.740 0.002 0.000 0.184 437 N C 1.926 177.439 175.510 0.005 0.000 1.018 437 N CA 0.956 54.009 53.050 0.005 0.000 0.858 437 N CB -0.281 38.208 38.487 0.004 0.000 0.989 437 N HN 0.042 nan 8.380 nan 0.000 0.426 438 V N 1.077 120.994 119.914 0.006 0.000 2.295 438 V HA -0.164 3.957 4.120 0.002 0.000 0.246 438 V C 2.483 178.582 176.094 0.007 0.000 1.049 438 V CA 2.090 64.394 62.300 0.006 0.000 1.024 438 V CB -1.271 30.556 31.823 0.007 0.000 0.648 438 V HN 0.342 nan 8.190 nan 0.000 0.447 439 G N -0.185 108.620 108.800 0.007 0.000 2.418 439 G HA2 -0.230 3.732 3.960 0.002 0.000 0.217 439 G HA3 -0.230 3.732 3.960 0.002 0.000 0.217 439 G C 1.577 176.481 174.900 0.007 0.000 1.158 439 G CA 1.124 46.228 45.100 0.008 0.000 0.771 439 G HN 0.481 nan 8.290 nan 0.000 0.545 440 I N 0.238 120.811 120.570 0.005 0.000 2.099 440 I HA -0.167 4.004 4.170 0.002 0.000 0.239 440 I C 2.720 178.840 176.117 0.005 0.000 1.066 440 I CA 1.355 62.658 61.300 0.004 0.000 1.324 440 I CB -0.083 37.920 38.000 0.004 0.000 1.037 440 I HN -0.006 nan 8.210 nan 0.000 0.401 441 K N 0.328 120.731 120.400 0.005 0.000 2.211 441 K HA -0.034 4.287 4.320 0.002 0.000 0.203 441 K C 1.888 178.492 176.600 0.006 0.000 1.050 441 K CA 0.698 56.989 56.287 0.006 0.000 0.945 441 K CB -0.580 31.923 32.500 0.005 0.000 0.732 441 K HN 0.129 nan 8.250 nan 0.000 0.451 442 V N 0.780 120.698 119.914 0.007 0.000 2.343 442 V HA -0.261 3.861 4.120 0.002 0.000 0.247 442 V C 2.171 178.269 176.094 0.008 0.000 1.051 442 V CA 2.009 64.314 62.300 0.008 0.000 1.036 442 V CB -0.699 31.129 31.823 0.009 0.000 0.654 442 V HN 0.332 nan 8.190 nan 0.000 0.451 443 A N -0.189 122.635 122.820 0.007 0.000 1.877 443 A HA -0.154 4.167 4.320 0.002 0.000 0.216 443 A C 2.187 179.775 177.584 0.006 0.000 1.186 443 A CA 1.811 53.852 52.037 0.006 0.000 0.620 443 A CB -0.518 18.485 19.000 0.004 0.000 0.822 443 A HN 0.508 nan 8.150 nan 0.000 0.443 444 L N -1.200 120.026 121.223 0.006 0.000 2.017 444 L HA -0.175 4.167 4.340 0.002 0.000 0.208 444 L C 2.777 179.652 176.870 0.008 0.000 1.073 444 L CA 1.799 56.643 54.840 0.006 0.000 0.745 444 L CB -0.597 41.465 42.059 0.006 0.000 0.894 444 L HN 0.450 nan 8.230 nan 0.000 0.432 445 R N 0.586 121.091 120.500 0.008 0.000 2.127 445 R HA -0.186 4.155 4.340 0.002 0.000 0.238 445 R C 2.215 178.521 176.300 0.010 0.000 1.134 445 R CA 1.437 57.543 56.100 0.009 0.000 0.975 445 R CB -0.175 30.130 30.300 0.008 0.000 0.865 445 R HN 0.371 nan 8.270 nan 0.000 0.447 446 A N 0.253 123.079 122.820 0.010 0.000 2.066 446 A HA -0.064 4.258 4.320 0.002 0.000 0.218 446 A C 1.984 179.575 177.584 0.011 0.000 1.157 446 A CA 0.887 52.930 52.037 0.011 0.000 0.670 446 A CB -0.246 18.761 19.000 0.011 0.000 0.804 446 A HN 0.337 nan 8.150 nan 0.000 0.453 447 M N -0.692 118.914 119.600 0.010 0.000 2.549 447 M HA -0.085 4.396 4.480 0.002 0.000 0.260 447 M C 1.488 177.796 176.300 0.013 0.000 1.076 447 M CA 0.931 56.237 55.300 0.010 0.000 1.090 447 M CB -0.192 32.413 32.600 0.009 0.000 1.418 447 M HN 0.442 nan 8.290 nan 0.000 0.486 448 E N 0.307 120.516 120.200 0.015 0.000 2.371 448 E HA -0.024 4.327 4.350 0.002 0.000 0.194 448 E C 2.055 178.664 176.600 0.016 0.000 1.012 448 E CA 0.500 56.910 56.400 0.017 0.000 0.860 448 E CB 0.089 29.799 29.700 0.017 0.000 0.811 448 E HN 0.493 nan 8.360 nan 0.000 0.502 449 A N 2.151 124.980 122.820 0.014 0.000 1.908 449 A HA -0.122 4.199 4.320 0.002 0.000 0.218 449 A C -0.382 177.211 177.584 0.015 0.000 1.181 449 A CA 1.113 53.158 52.037 0.014 0.000 0.627 449 A CB -1.330 17.678 19.000 0.013 0.000 0.818 449 A HN 0.135 nan 8.150 nan 0.000 0.445 450 P HA -0.175 nan 4.420 nan 0.000 0.214 450 P C 1.845 179.155 177.300 0.017 0.000 1.163 450 P CA 0.889 63.997 63.100 0.015 0.000 0.889 450 P CB -0.147 31.561 31.700 0.013 0.000 0.790 451 L N 0.009 121.244 121.223 0.019 0.000 1.989 451 L HA -0.171 4.171 4.340 0.002 0.000 0.211 451 L C 2.179 179.064 176.870 0.024 0.000 1.071 451 L CA 2.147 57.002 54.840 0.024 0.000 0.749 451 L CB -1.028 41.048 42.059 0.028 0.000 0.890 451 L HN -0.039 nan 8.230 nan 0.000 0.431 452 R N -0.762 119.750 120.500 0.020 0.000 2.105 452 R HA -0.171 4.170 4.340 0.002 0.000 0.239 452 R C 2.142 178.453 176.300 0.017 0.000 1.135 452 R CA 1.248 57.358 56.100 0.017 0.000 0.967 452 R CB -0.118 30.191 30.300 0.014 0.000 0.861 452 R HN 0.556 nan 8.270 nan 0.000 0.442 453 Q N 0.293 120.102 119.800 0.016 0.000 2.187 453 Q HA -0.012 4.329 4.340 0.002 0.000 0.199 453 Q C 2.186 178.195 176.000 0.015 0.000 0.957 453 Q CA 0.935 56.747 55.803 0.015 0.000 0.857 453 Q CB 0.035 28.781 28.738 0.013 0.000 0.929 453 Q HN 0.401 nan 8.270 nan 0.000 0.453 454 I N -0.042 120.538 120.570 0.017 0.000 2.142 454 I HA -0.253 3.919 4.170 0.002 0.000 0.240 454 I C 2.253 178.385 176.117 0.025 0.000 1.078 454 I CA 0.914 62.224 61.300 0.018 0.000 1.343 454 I CB -0.318 37.692 38.000 0.018 0.000 1.046 454 I HN -0.050 nan 8.210 nan 0.000 0.405 455 V N 0.600 120.534 119.914 0.034 0.000 2.407 455 V HA -0.262 3.860 4.120 0.002 0.000 0.248 455 V C 2.344 178.458 176.094 0.033 0.000 1.055 455 V CA 1.507 63.835 62.300 0.046 0.000 1.049 455 V CB -0.507 31.340 31.823 0.041 0.000 0.662 455 V HN 0.356 nan 8.190 nan 0.000 0.455 456 L N 0.599 121.836 121.223 0.023 0.000 2.017 456 L HA -0.135 4.207 4.340 0.002 0.000 0.208 456 L C 2.177 179.057 176.870 0.016 0.000 1.073 456 L CA 1.951 56.802 54.840 0.018 0.000 0.745 456 L CB -0.950 41.117 42.059 0.014 0.000 0.894 456 L HN 0.316 nan 8.230 nan 0.000 0.432 457 N N -1.191 117.517 118.700 0.015 0.000 2.289 457 N HA -0.180 4.561 4.740 0.002 0.000 0.184 457 N C 1.696 177.213 175.510 0.010 0.000 1.016 457 N CA 1.583 54.639 53.050 0.011 0.000 0.872 457 N CB -0.200 38.292 38.487 0.008 0.000 0.973 457 N HN 0.446 nan 8.380 nan 0.000 0.433 458 C N -0.429 118.881 119.300 0.017 0.000 2.468 458 C HA 0.120 4.581 4.460 0.002 0.000 0.277 458 C C 1.857 176.861 174.990 0.024 0.000 1.400 458 C CA 0.670 59.698 59.018 0.018 0.000 1.770 458 C CB -0.831 26.927 27.740 0.030 0.000 1.905 458 C HN 0.669 nan 8.230 nan 0.000 0.519 459 G N 0.595 109.410 108.800 0.025 0.000 2.176 459 G HA2 -0.203 3.759 3.960 0.002 0.000 0.253 459 G HA3 -0.203 3.759 3.960 0.002 0.000 0.253 459 G C -0.190 174.729 174.900 0.032 0.000 0.979 459 G CA 0.396 45.511 45.100 0.024 0.000 0.641 459 G HN 0.523 nan 8.290 nan 0.000 0.530 460 E N 0.810 121.038 120.200 0.047 0.000 2.342 460 E HA 0.529 4.881 4.350 0.002 0.000 0.257 460 E C 0.441 177.054 176.600 0.021 0.000 1.150 460 E CA -0.359 56.069 56.400 0.047 0.000 0.926 460 E CB 0.468 30.224 29.700 0.093 0.000 1.074 460 E HN 0.408 nan 8.360 nan 0.000 0.449 461 E N 2.284 122.486 120.200 0.004 0.000 2.129 461 E HA 0.045 4.396 4.350 0.002 0.000 0.283 461 E C -1.757 174.838 176.600 -0.008 0.000 1.080 461 E CA -1.416 54.983 56.400 -0.001 0.000 0.867 461 E CB 0.649 30.348 29.700 -0.002 0.000 1.056 461 E HN 0.309 nan 8.360 nan 0.000 0.404 462 P HA -0.209 nan 4.420 nan 0.000 0.214 462 P C 1.077 178.376 177.300 -0.001 0.000 1.169 462 P CA 1.370 64.471 63.100 0.003 0.000 0.908 462 P CB 0.247 31.951 31.700 0.008 0.000 0.791 463 S N -1.194 114.506 115.700 -0.001 0.000 2.447 463 S HA -0.066 4.405 4.470 0.002 0.000 0.233 463 S C 1.944 176.541 174.600 -0.005 0.000 1.006 463 S CA 0.835 59.035 58.200 -0.000 0.000 0.957 463 S CB -1.028 62.172 63.200 0.001 0.000 0.773 463 S HN -0.033 nan 8.310 nan 0.000 0.507 464 V N 1.264 121.170 119.914 -0.014 0.000 2.302 464 V HA -0.079 4.042 4.120 0.002 0.000 0.243 464 V C 2.344 178.422 176.094 -0.027 0.000 1.036 464 V CA 1.186 63.473 62.300 -0.020 0.000 1.020 464 V CB -0.721 31.088 31.823 -0.023 0.000 0.657 464 V HN 0.349 nan 8.190 nan 0.000 0.453 465 V N 0.665 120.544 119.914 -0.059 0.000 2.332 465 V HA -0.268 3.854 4.120 0.002 0.000 0.248 465 V C 2.754 178.854 176.094 0.010 0.000 1.055 465 V CA 2.003 64.255 62.300 -0.080 0.000 1.038 465 V CB -1.263 30.452 31.823 -0.180 0.000 0.651 465 V HN 0.544 nan 8.190 nan 0.000 0.450 466 A N 0.291 123.117 122.820 0.010 0.000 1.883 466 A HA -0.264 4.058 4.320 0.002 0.000 0.217 466 A C 2.156 179.759 177.584 0.032 0.000 1.186 466 A CA 2.194 54.247 52.037 0.027 0.000 0.624 466 A CB -0.685 18.326 19.000 0.018 0.000 0.822 466 A HN 0.612 nan 8.150 nan 0.000 0.444 467 N N -0.482 118.228 118.700 0.016 0.000 2.106 467 N HA -0.136 4.605 4.740 0.002 0.000 0.188 467 N C 2.043 177.560 175.510 0.012 0.000 1.029 467 N CA 2.226 55.282 53.050 0.010 0.000 0.848 467 N CB -0.465 38.019 38.487 -0.005 0.000 1.007 467 N HN 0.727 nan 8.380 nan 0.000 0.423 468 T N -0.799 113.757 114.554 0.002 0.000 2.777 468 T HA -0.030 4.321 4.350 0.002 0.000 0.266 468 T C 2.202 176.972 174.700 0.117 0.000 1.040 468 T CA 0.894 62.971 62.100 -0.038 0.000 1.141 468 T CB -0.783 67.961 68.868 -0.206 0.000 0.868 468 T HN -0.111 nan 8.240 nan 0.000 0.444 469 V N 1.883 121.916 119.914 0.198 0.000 2.490 469 V HA -0.103 4.019 4.120 0.002 0.000 0.250 469 V C 2.610 178.860 176.094 0.259 0.000 1.061 469 V CA 1.641 64.113 62.300 0.285 0.000 1.064 469 V CB -0.612 31.309 31.823 0.164 0.000 0.670 469 V HN 0.537 nan 8.190 nan 0.000 0.461 470 K N 0.123 120.605 120.400 0.136 0.000 2.432 470 K HA 0.024 4.346 4.320 0.002 0.000 0.196 470 K C 2.015 178.643 176.600 0.047 0.000 1.038 470 K CA 0.835 57.174 56.287 0.085 0.000 0.986 470 K CB -0.196 32.333 32.500 0.048 0.000 0.782 470 K HN 0.550 nan 8.250 nan 0.000 0.485 471 G N 0.881 109.701 108.800 0.032 0.000 2.623 471 G HA2 -0.002 3.960 3.960 0.002 0.000 0.214 471 G HA3 -0.002 3.960 3.960 0.002 0.000 0.214 471 G C 0.568 175.378 174.900 -0.151 0.000 1.138 471 G CA 0.224 45.295 45.100 -0.049 0.000 0.794 471 G HN 0.305 nan 8.290 nan 0.000 0.535 472 G N -1.122 107.555 108.800 -0.205 0.000 2.597 472 G HA2 0.523 4.484 3.960 0.002 0.000 0.317 472 G HA3 0.523 4.484 3.960 0.002 0.000 0.317 472 G C -1.800 173.062 174.900 -0.063 0.000 1.230 472 G CA -0.310 44.514 45.100 -0.460 0.000 0.996 472 G HN 0.058 nan 8.290 nan 0.000 0.490 473 D N -2.757 117.619 120.400 -0.041 0.000 2.559 473 D HA 0.582 5.223 4.640 0.002 0.000 0.250 473 D C 0.911 177.268 176.300 0.095 0.000 1.135 473 D CA 1.008 55.040 54.000 0.053 0.000 0.955 473 D CB 1.719 42.522 40.800 0.006 0.000 1.442 473 D HN 1.159 nan 8.370 nan 0.000 0.471 474 G N 1.312 110.159 108.800 0.080 0.000 2.574 474 G HA2 -0.355 3.606 3.960 0.002 0.000 0.301 474 G HA3 -0.355 3.606 3.960 0.002 0.000 0.301 474 G C 0.872 175.831 174.900 0.099 0.000 1.166 474 G CA 0.489 45.633 45.100 0.073 0.000 0.971 474 G HN 0.594 nan 8.290 nan 0.000 0.542 475 N N 0.339 119.101 118.700 0.103 0.000 2.550 475 N HA -0.013 4.729 4.740 0.002 0.000 0.186 475 N C 0.812 176.408 175.510 0.144 0.000 1.110 475 N CA 0.757 53.867 53.050 0.100 0.000 0.912 475 N CB 0.066 38.602 38.487 0.080 0.000 0.968 475 N HN 0.502 nan 8.380 nan 0.000 0.448 476 Y N 1.486 121.816 120.300 0.050 0.000 2.511 476 Y HA 0.296 4.848 4.550 0.002 0.000 0.332 476 Y C 0.935 176.896 175.900 0.101 0.000 1.177 476 Y CA 0.463 58.609 58.100 0.076 0.000 1.422 476 Y CB 0.415 38.917 38.460 0.069 0.000 1.271 476 Y HN 0.029 nan 8.280 nan 0.000 0.550 477 G N 3.316 111.827 108.800 -0.481 0.000 2.677 477 G HA2 0.278 4.239 3.960 0.002 0.000 0.283 477 G HA3 0.278 4.239 3.960 0.002 0.000 0.283 477 G C -2.465 172.271 174.900 -0.273 0.000 1.221 477 G CA -0.730 44.195 45.100 -0.292 0.000 0.851 477 G HN 0.518 nan 8.290 nan 0.000 0.504 478 Y N 1.173 121.297 120.300 -0.294 0.000 2.442 478 Y HA 0.610 5.161 4.550 0.002 0.000 0.344 478 Y C -0.558 175.166 175.900 -0.293 0.000 0.976 478 Y CA -1.554 56.297 58.100 -0.416 0.000 1.040 478 Y CB 2.010 40.190 38.460 -0.468 0.000 1.228 478 Y HN 0.445 nan 8.280 nan 0.000 0.451 479 N N 4.101 122.315 118.700 -0.810 0.000 2.402 479 N HA 0.189 4.930 4.740 0.002 0.000 0.252 479 N C 0.392 175.467 175.510 -0.725 0.000 1.118 479 N CA 0.652 53.343 53.050 -0.599 0.000 0.945 479 N CB 1.552 39.787 38.487 -0.419 0.000 1.147 479 N HN 0.903 nan 8.380 nan 0.000 0.495 480 A N 3.162 125.729 122.820 -0.421 0.000 2.216 480 A HA 0.068 4.389 4.320 0.002 0.000 0.214 480 A C 1.643 179.098 177.584 -0.216 0.000 1.160 480 A CA 1.415 53.280 52.037 -0.286 0.000 0.725 480 A CB -0.025 18.889 19.000 -0.145 0.000 0.784 480 A HN 0.711 nan 8.150 nan 0.000 0.472 481 A N -1.007 121.683 122.820 -0.217 0.000 1.970 481 A HA 0.163 4.484 4.320 0.002 0.000 0.204 481 A C 2.120 179.611 177.584 -0.154 0.000 1.325 481 A CA 1.524 53.472 52.037 -0.148 0.000 0.767 481 A CB -0.525 18.407 19.000 -0.113 0.000 0.949 481 A HN 0.638 nan 8.150 nan 0.000 0.481 482 T N -2.824 111.615 114.554 -0.192 0.000 3.086 482 T HA 0.228 4.579 4.350 0.002 0.000 0.250 482 T C 0.263 174.849 174.700 -0.191 0.000 1.074 482 T CA 0.772 62.779 62.100 -0.155 0.000 0.988 482 T CB -0.226 68.570 68.868 -0.121 0.000 0.988 482 T HN 0.522 nan 8.240 nan 0.000 0.530 483 E N 1.254 121.244 120.200 -0.349 0.000 2.791 483 E HA -0.194 4.158 4.350 0.002 0.000 0.271 483 E C -0.064 176.416 176.600 -0.200 0.000 1.044 483 E CA 0.925 57.105 56.400 -0.366 0.000 0.814 483 E CB -1.537 28.114 29.700 -0.080 0.000 1.400 483 E HN 0.969 nan 8.360 nan 0.000 0.423 484 E N -0.665 119.359 120.200 -0.295 0.000 2.299 484 E HA 0.571 4.922 4.350 0.002 0.000 0.260 484 E C -0.499 175.995 176.600 -0.178 0.000 0.944 484 E CA -0.902 55.468 56.400 -0.049 0.000 0.815 484 E CB 0.947 30.659 29.700 0.021 0.000 1.252 484 E HN 0.040 nan 8.360 nan 0.000 0.418 485 Y N -0.538 119.860 120.300 0.163 0.000 2.458 485 Y HA 0.686 5.237 4.550 0.002 0.000 0.322 485 Y C 0.931 176.838 175.900 0.012 0.000 1.259 485 Y CA 0.669 58.830 58.100 0.101 0.000 1.302 485 Y CB 1.968 40.523 38.460 0.158 0.000 1.314 485 Y HN 0.880 nan 8.280 nan 0.000 0.509 486 G N 0.316 109.140 108.800 0.039 0.000 2.341 486 G HA2 -0.009 3.953 3.960 0.002 0.000 0.293 486 G HA3 -0.009 3.953 3.960 0.002 0.000 0.293 486 G C -1.862 173.053 174.900 0.024 0.000 1.298 486 G CA -1.277 43.885 45.100 0.103 0.000 0.868 486 G HN 0.547 nan 8.290 nan 0.000 0.540 487 N N 0.852 119.619 118.700 0.113 0.000 2.452 487 N HA 0.086 4.827 4.740 0.002 0.000 0.266 487 N C 1.767 177.290 175.510 0.021 0.000 1.209 487 N CA -0.324 52.781 53.050 0.091 0.000 0.929 487 N CB 0.727 39.274 38.487 0.100 0.000 1.063 487 N HN 0.398 nan 8.380 nan 0.000 0.472 488 M N 3.631 123.234 119.600 0.006 0.000 2.213 488 M HA -0.128 4.353 4.480 0.002 0.000 0.263 488 M C 1.452 177.749 176.300 -0.006 0.000 1.062 488 M CA 0.935 56.225 55.300 -0.016 0.000 1.105 488 M CB -0.489 32.103 32.600 -0.013 0.000 1.385 488 M HN 0.541 nan 8.290 nan 0.000 0.417 489 I N 0.338 120.914 120.570 0.010 0.000 2.286 489 I HA -0.212 3.960 4.170 0.002 0.000 0.245 489 I C 1.793 177.914 176.117 0.006 0.000 1.104 489 I CA 1.241 62.547 61.300 0.009 0.000 1.397 489 I CB -1.714 36.296 38.000 0.017 0.000 1.072 489 I HN 0.185 nan 8.210 nan 0.000 0.417 490 D N 1.074 121.482 120.400 0.012 0.000 2.084 490 D HA -0.161 4.480 4.640 0.002 0.000 0.194 490 D C 2.311 178.610 176.300 -0.002 0.000 0.990 490 D CA 1.328 55.334 54.000 0.011 0.000 0.826 490 D CB -0.274 40.539 40.800 0.023 0.000 0.971 490 D HN 0.279 nan 8.370 nan 0.000 0.453 491 M N -0.872 118.721 119.600 -0.012 0.000 2.557 491 M HA 0.080 4.561 4.480 0.002 0.000 0.259 491 M C 1.174 177.455 176.300 -0.032 0.000 1.086 491 M CA 1.060 56.342 55.300 -0.030 0.000 1.096 491 M CB 0.210 32.778 32.600 -0.053 0.000 1.424 491 M HN 0.202 nan 8.290 nan 0.000 0.488 492 G N 1.543 110.330 108.800 -0.022 0.000 2.141 492 G HA2 -0.218 3.743 3.960 0.002 0.000 0.231 492 G HA3 -0.218 3.743 3.960 0.002 0.000 0.231 492 G C 0.047 174.934 174.900 -0.021 0.000 0.984 492 G CA -0.458 44.630 45.100 -0.019 0.000 0.660 492 G HN 0.475 nan 8.290 nan 0.000 0.525 493 I N 1.643 122.197 120.570 -0.027 0.000 2.281 493 I HA 0.441 4.613 4.170 0.002 0.000 0.293 493 I C 0.551 176.659 176.117 -0.016 0.000 1.085 493 I CA -0.331 60.952 61.300 -0.028 0.000 1.257 493 I CB 0.540 38.513 38.000 -0.045 0.000 1.430 493 I HN -0.024 nan 8.210 nan 0.000 0.489 494 L N 5.356 126.573 121.223 -0.010 0.000 2.342 494 L HA 0.493 4.835 4.340 0.002 0.000 0.271 494 L C -0.705 176.164 176.870 -0.001 0.000 1.008 494 L CA -0.819 54.019 54.840 -0.003 0.000 0.818 494 L CB 2.069 44.128 42.059 -0.000 0.000 1.296 494 L HN 0.404 nan 8.230 nan 0.000 0.427 495 D N 3.293 123.695 120.400 0.002 0.000 2.274 495 D HA 0.258 4.899 4.640 0.002 0.000 0.239 495 D C -2.334 173.969 176.300 0.006 0.000 1.104 495 D CA -1.045 52.958 54.000 0.004 0.000 0.840 495 D CB 1.315 42.118 40.800 0.004 0.000 1.100 495 D HN 0.154 nan 8.370 nan 0.000 0.477 496 P HA 0.070 nan 4.420 nan 0.000 0.277 496 P C 0.553 177.858 177.300 0.009 0.000 1.354 496 P CA -0.290 62.816 63.100 0.011 0.000 0.891 496 P CB 1.121 32.831 31.700 0.016 0.000 1.058 497 T N 2.922 117.480 114.554 0.006 0.000 2.653 497 T HA -0.243 4.109 4.350 0.002 0.000 0.268 497 T C 1.661 176.358 174.700 -0.004 0.000 1.035 497 T CA 1.776 63.876 62.100 -0.000 0.000 1.154 497 T CB -0.372 68.495 68.868 -0.002 0.000 0.862 497 T HN 0.448 nan 8.240 nan 0.000 0.441 498 K N 0.948 121.348 120.400 0.001 0.000 2.089 498 K HA -0.173 4.148 4.320 0.002 0.000 0.210 498 K C 2.396 178.997 176.600 0.001 0.000 1.048 498 K CA 1.842 58.130 56.287 0.001 0.000 0.926 498 K CB -0.414 32.096 32.500 0.017 0.000 0.714 498 K HN 0.407 nan 8.250 nan 0.000 0.448 499 V N -1.436 118.485 119.914 0.011 0.000 2.307 499 V HA -0.156 3.965 4.120 0.002 0.000 0.245 499 V C 1.853 177.952 176.094 0.007 0.000 1.045 499 V CA 2.233 64.543 62.300 0.018 0.000 1.024 499 V CB -0.926 30.909 31.823 0.020 0.000 0.651 499 V HN 0.285 nan 8.190 nan 0.000 0.449 500 T N 0.101 114.654 114.554 -0.002 0.000 2.851 500 T HA -0.013 4.339 4.350 0.002 0.000 0.262 500 T C 2.097 176.779 174.700 -0.031 0.000 1.043 500 T CA 1.364 63.458 62.100 -0.009 0.000 1.140 500 T CB -0.362 68.503 68.868 -0.004 0.000 0.872 500 T HN 0.406 nan 8.240 nan 0.000 0.446 501 R N 1.542 122.017 120.500 -0.042 0.000 2.073 501 R HA -0.047 4.294 4.340 0.002 0.000 0.234 501 R C 2.401 178.618 176.300 -0.139 0.000 1.134 501 R CA 1.747 57.805 56.100 -0.071 0.000 0.952 501 R CB -0.818 29.449 30.300 -0.055 0.000 0.850 501 R HN 0.317 nan 8.270 nan 0.000 0.433 502 S N 0.787 116.395 115.700 -0.155 0.000 2.355 502 S HA -0.076 4.396 4.470 0.002 0.000 0.222 502 S C 2.109 176.500 174.600 -0.348 0.000 1.031 502 S CA 1.131 59.127 58.200 -0.340 0.000 0.993 502 S CB -0.357 62.758 63.200 -0.141 0.000 0.859 502 S HN 0.541 nan 8.310 nan 0.000 0.453 503 A N 2.242 125.023 122.820 -0.065 0.000 1.917 503 A HA -0.097 4.225 4.320 0.002 0.000 0.219 503 A C 2.104 179.681 177.584 -0.010 0.000 1.182 503 A CA 1.363 53.420 52.037 0.034 0.000 0.633 503 A CB -0.854 18.167 19.000 0.036 0.000 0.819 503 A HN 0.436 nan 8.150 nan 0.000 0.448 504 L N -0.269 120.920 121.223 -0.057 0.000 2.046 504 L HA -0.213 4.128 4.340 0.002 0.000 0.208 504 L C 2.411 179.237 176.870 -0.073 0.000 1.077 504 L CA 2.475 57.286 54.840 -0.049 0.000 0.747 504 L CB -1.215 40.816 42.059 -0.048 0.000 0.896 504 L HN 0.562 nan 8.230 nan 0.000 0.432 505 Q N -1.396 118.301 119.800 -0.172 0.000 2.083 505 Q HA -0.208 4.133 4.340 0.002 0.000 0.198 505 Q C 2.069 178.007 176.000 -0.103 0.000 0.969 505 Q CA 1.624 57.313 55.803 -0.190 0.000 0.838 505 Q CB -0.205 28.341 28.738 -0.321 0.000 0.900 505 Q HN 0.493 nan 8.270 nan 0.000 0.436 506 Y N 0.335 120.635 120.300 -0.001 0.000 2.242 506 Y HA -0.127 4.425 4.550 0.003 0.000 0.291 506 Y C 2.389 178.288 175.900 -0.002 0.000 1.137 506 Y CA 0.654 58.753 58.100 -0.002 0.000 1.181 506 Y CB -1.020 37.438 38.460 -0.005 0.000 0.989 506 Y HN 0.116 nan 8.280 nan 0.000 0.527 507 A N 0.438 123.340 122.820 0.137 0.000 1.865 507 A HA -0.181 4.140 4.320 0.002 0.000 0.217 507 A C 2.551 180.166 177.584 0.053 0.000 1.191 507 A CA 2.366 54.449 52.037 0.075 0.000 0.623 507 A CB -1.337 17.692 19.000 0.048 0.000 0.826 507 A HN 0.396 nan 8.150 nan 0.000 0.444 508 A N -0.968 121.873 122.820 0.035 0.000 1.908 508 A HA -0.141 4.181 4.320 0.002 0.000 0.218 508 A C 2.521 180.126 177.584 0.035 0.000 1.181 508 A CA 2.417 54.468 52.037 0.024 0.000 0.627 508 A CB -1.039 17.964 19.000 0.005 0.000 0.818 508 A HN 0.608 nan 8.150 nan 0.000 0.445 509 S N -0.844 114.888 115.700 0.055 0.000 2.345 509 S HA -0.119 4.352 4.470 0.002 0.000 0.220 509 S C 1.934 176.567 174.600 0.054 0.000 1.031 509 S CA 1.634 59.871 58.200 0.062 0.000 0.996 509 S CB -0.510 62.750 63.200 0.100 0.000 0.882 509 S HN 0.291 nan 8.310 nan 0.000 0.445 510 V N 2.160 122.111 119.914 0.061 0.000 2.343 510 V HA -0.111 4.010 4.120 0.002 0.000 0.247 510 V C 2.863 178.975 176.094 0.030 0.000 1.051 510 V CA 1.801 64.125 62.300 0.040 0.000 1.036 510 V CB -1.338 30.508 31.823 0.037 0.000 0.654 510 V HN 0.613 nan 8.190 nan 0.000 0.451 511 A N 0.518 123.357 122.820 0.032 0.000 1.873 511 A HA -0.076 4.245 4.320 0.002 0.000 0.215 511 A C 2.409 180.007 177.584 0.022 0.000 1.186 511 A CA 1.885 53.937 52.037 0.025 0.000 0.616 511 A CB -1.269 17.746 19.000 0.024 0.000 0.823 511 A HN 0.530 nan 8.150 nan 0.000 0.442 512 G N -0.614 108.200 108.800 0.023 0.000 2.471 512 G HA2 -0.054 3.908 3.960 0.002 0.000 0.219 512 G HA3 -0.054 3.908 3.960 0.002 0.000 0.219 512 G C 1.504 176.415 174.900 0.019 0.000 1.125 512 G CA 0.944 46.056 45.100 0.019 0.000 0.775 512 G HN 0.422 nan 8.290 nan 0.000 0.548 513 L N -0.557 120.677 121.223 0.020 0.000 2.049 513 L HA 0.129 4.471 4.340 0.002 0.000 0.203 513 L C 2.829 179.708 176.870 0.014 0.000 1.074 513 L CA 0.898 55.747 54.840 0.016 0.000 0.749 513 L CB -0.360 41.709 42.059 0.016 0.000 0.907 513 L HN 0.215 nan 8.230 nan 0.000 0.439 514 M N 0.788 120.397 119.600 0.015 0.000 2.149 514 M HA -0.224 4.258 4.480 0.002 0.000 0.261 514 M C 2.299 178.609 176.300 0.017 0.000 1.064 514 M CA 1.889 57.198 55.300 0.014 0.000 1.102 514 M CB -0.195 32.414 32.600 0.015 0.000 1.369 514 M HN 0.329 nan 8.290 nan 0.000 0.408 515 I N -1.736 118.845 120.570 0.018 0.000 2.700 515 I HA -0.164 4.008 4.170 0.002 0.000 0.261 515 I C 1.926 178.054 176.117 0.020 0.000 1.219 515 I CA 1.637 62.948 61.300 0.019 0.000 1.463 515 I CB -1.366 36.645 38.000 0.018 0.000 1.092 515 I HN 0.346 nan 8.210 nan 0.000 0.452 516 T N -1.541 113.024 114.554 0.018 0.000 3.113 516 T HA 0.011 4.363 4.350 0.002 0.000 0.263 516 T C 0.906 175.618 174.700 0.020 0.000 1.143 516 T CA 0.344 62.455 62.100 0.019 0.000 1.090 516 T CB -1.210 67.667 68.868 0.016 0.000 0.922 516 T HN 0.358 nan 8.240 nan 0.000 0.521 517 T N 2.972 117.537 114.554 0.019 0.000 2.761 517 T HA 0.165 4.517 4.350 0.002 0.000 0.287 517 T C 0.753 175.469 174.700 0.028 0.000 0.931 517 T CA 0.021 62.132 62.100 0.017 0.000 1.164 517 T CB 0.996 69.874 68.868 0.017 0.000 0.876 517 T HN 0.316 nan 8.240 nan 0.000 0.534 518 E N 1.216 121.435 120.200 0.031 0.000 2.473 518 E HA 0.210 4.562 4.350 0.002 0.000 0.204 518 E C 0.018 176.645 176.600 0.045 0.000 0.994 518 E CA -0.052 56.387 56.400 0.065 0.000 0.945 518 E CB 0.449 30.204 29.700 0.092 0.000 0.990 518 E HN 0.647 nan 8.360 nan 0.000 0.493 519 C N 0.009 119.273 119.300 -0.060 0.000 3.082 519 C HA 0.676 5.138 4.460 0.002 0.000 0.324 519 C C -1.547 173.355 174.990 -0.147 0.000 1.210 519 C CA -0.746 58.126 59.018 -0.244 0.000 1.366 519 C CB 0.559 27.966 27.740 -0.555 0.000 1.756 519 C HN 0.267 nan 8.230 nan 0.000 0.485 520 M N 4.650 124.187 119.600 -0.106 0.000 2.326 520 M HA 0.631 5.113 4.480 0.002 0.000 0.306 520 M C -1.079 175.246 176.300 0.041 0.000 1.054 520 M CA -0.516 54.794 55.300 0.018 0.000 0.922 520 M CB 2.084 34.797 32.600 0.188 0.000 1.632 520 M HN 0.405 nan 8.290 nan 0.000 0.436 521 V N 1.248 121.130 119.914 -0.053 0.000 2.604 521 V HA 0.839 4.961 4.120 0.002 0.000 0.305 521 V C -0.402 175.574 176.094 -0.198 0.000 1.043 521 V CA -0.484 61.767 62.300 -0.081 0.000 0.888 521 V CB 2.120 33.896 31.823 -0.077 0.000 0.995 521 V HN 0.914 nan 8.190 nan 0.000 0.429 522 T N 2.077 116.480 114.554 -0.252 0.000 2.957 522 T HA 0.352 4.703 4.350 0.002 0.000 0.336 522 T C -1.427 173.160 174.700 -0.189 0.000 1.462 522 T CA -0.609 61.307 62.100 -0.306 0.000 1.073 522 T CB 1.579 70.103 68.868 -0.574 0.000 1.319 522 T HN 0.740 nan 8.240 nan 0.000 0.485 523 D N 2.395 122.714 120.400 -0.134 0.000 2.399 523 D HA 0.330 4.971 4.640 0.002 0.000 0.241 523 D C 0.501 176.769 176.300 -0.054 0.000 1.133 523 D CA -0.073 53.884 54.000 -0.072 0.000 0.890 523 D CB 0.447 41.212 40.800 -0.058 0.000 1.201 523 D HN 0.441 nan 8.370 nan 0.000 0.432 524 L N 3.375 124.589 121.223 -0.014 0.000 2.593 524 L HA 0.033 4.374 4.340 0.002 0.000 0.287 524 L C -1.560 175.317 176.870 0.012 0.000 1.243 524 L CA -1.182 53.666 54.840 0.015 0.000 0.890 524 L CB -0.238 41.833 42.059 0.020 0.000 1.134 524 L HN 0.313 nan 8.230 nan 0.000 0.502 525 P HA 0.191 nan 4.420 nan 0.000 0.259 525 P C -0.428 176.884 177.300 0.020 0.000 1.211 525 P CA 0.536 63.658 63.100 0.036 0.000 0.810 525 P CB 0.427 32.170 31.700 0.072 0.000 0.815 526 K N 0.000 120.404 120.400 0.006 0.000 2.780 526 K HA 0.000 4.321 4.320 0.002 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543