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 1sx3_1_J DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL 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 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.409 124.229 122.820 0.001 0.000 2.531 3 A HA 0.511 4.831 4.320 -0.000 0.000 0.236 3 A C 0.195 177.782 177.584 0.005 0.000 1.062 3 A CA 0.448 52.490 52.037 0.008 0.000 0.760 3 A CB -0.071 18.936 19.000 0.012 0.000 0.995 3 A HN 0.604 nan 8.150 nan 0.000 0.501 4 K N 1.457 121.865 120.400 0.015 0.000 2.208 4 K HA 0.388 4.708 4.320 -0.000 0.000 0.247 4 K C -1.107 175.522 176.600 0.049 0.000 0.953 4 K CA -0.723 55.572 56.287 0.014 0.000 0.837 4 K CB 1.646 34.153 32.500 0.012 0.000 1.131 4 K HN 0.740 nan 8.250 nan 0.000 0.431 5 D N 1.177 121.618 120.400 0.068 0.000 2.198 5 D HA 0.348 4.988 4.640 -0.000 0.000 0.245 5 D C -1.157 175.311 176.300 0.280 0.000 1.079 5 D CA -0.533 53.578 54.000 0.184 0.000 0.854 5 D CB 1.247 42.202 40.800 0.260 0.000 1.148 5 D HN 0.041 nan 8.370 nan 0.000 0.456 6 V N 4.168 124.213 119.914 0.219 0.000 2.531 6 V HA 0.440 4.560 4.120 -0.000 0.000 0.301 6 V C 0.065 176.140 176.094 -0.031 0.000 1.034 6 V CA -0.798 61.555 62.300 0.089 0.000 0.865 6 V CB 1.911 33.751 31.823 0.027 0.000 0.995 6 V HN 0.407 nan 8.190 nan 0.000 0.424 7 K N 3.352 123.615 120.400 -0.228 0.000 2.385 7 K HA 0.800 5.120 4.320 -0.000 0.000 0.248 7 K C -1.666 174.674 176.600 -0.433 0.000 0.955 7 K CA -0.576 55.516 56.287 -0.325 0.000 0.816 7 K CB 2.611 34.727 32.500 -0.639 0.000 1.250 7 K HN 0.462 nan 8.250 nan 0.000 0.434 8 F N -0.371 119.525 119.950 -0.089 0.000 2.603 8 F HA 0.401 4.928 4.527 0.000 0.000 0.317 8 F C 1.105 176.872 175.800 -0.054 0.000 1.066 8 F CA 0.029 58.001 58.000 -0.046 0.000 0.941 8 F CB 1.907 40.889 39.000 -0.030 0.000 1.291 8 F HN 0.810 nan 8.300 nan 0.000 0.472 9 G N 1.963 110.860 108.800 0.162 0.000 2.672 9 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.324 9 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.324 9 G C 1.200 176.120 174.900 0.033 0.000 1.286 9 G CA 0.836 45.987 45.100 0.086 0.000 1.004 9 G HN 0.685 nan 8.290 nan 0.000 0.548 10 N N 0.854 119.567 118.700 0.022 0.000 2.104 10 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 10 N C 1.817 177.314 175.510 -0.021 0.000 1.024 10 N CA 1.897 54.947 53.050 0.001 0.000 0.853 10 N CB -0.409 38.078 38.487 0.001 0.000 1.008 10 N HN 0.523 nan 8.380 nan 0.000 0.424 11 D N 0.528 120.910 120.400 -0.030 0.000 2.133 11 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 11 D C 1.723 177.942 176.300 -0.135 0.000 0.997 11 D CA 1.164 55.115 54.000 -0.081 0.000 0.840 11 D CB -0.250 40.496 40.800 -0.090 0.000 0.947 11 D HN 0.315 nan 8.370 nan 0.000 0.452 12 A N 0.256 123.004 122.820 -0.119 0.000 1.930 12 A HA 0.130 4.450 4.320 -0.000 0.000 0.215 12 A C 2.345 179.897 177.584 -0.054 0.000 1.176 12 A CA 1.644 53.599 52.037 -0.138 0.000 0.632 12 A CB -0.811 18.122 19.000 -0.111 0.000 0.819 12 A HN 0.287 nan 8.150 nan 0.000 0.445 13 G N -0.031 108.752 108.800 -0.028 0.000 2.422 13 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 13 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 13 G C 1.621 176.517 174.900 -0.007 0.000 1.146 13 G CA 1.716 46.812 45.100 -0.007 0.000 0.769 13 G HN 1.002 nan 8.290 nan 0.000 0.547 14 V N -0.989 118.914 119.914 -0.018 0.000 2.548 14 V HA 0.018 4.138 4.120 -0.000 0.000 0.249 14 V C 2.443 178.535 176.094 -0.005 0.000 1.055 14 V CA 1.947 64.240 62.300 -0.011 0.000 1.065 14 V CB -0.328 31.486 31.823 -0.015 0.000 0.681 14 V HN 0.090 nan 8.190 nan 0.000 0.462 15 K N 0.090 120.482 120.400 -0.013 0.000 2.025 15 K HA -0.015 4.305 4.320 -0.000 0.000 0.207 15 K C 2.230 178.860 176.600 0.050 0.000 1.049 15 K CA 2.079 58.382 56.287 0.026 0.000 0.933 15 K CB -0.616 31.908 32.500 0.040 0.000 0.714 15 K HN 0.509 nan 8.250 nan 0.000 0.438 16 M N 0.403 120.029 119.600 0.044 0.000 2.080 16 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 16 M C 2.214 178.533 176.300 0.031 0.000 1.068 16 M CA 1.262 56.589 55.300 0.046 0.000 1.109 16 M CB -0.279 32.343 32.600 0.037 0.000 1.342 16 M HN 0.038 nan 8.290 nan 0.000 0.405 17 L N 0.255 121.491 121.223 0.021 0.000 2.083 17 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 17 L C 2.396 179.276 176.870 0.017 0.000 1.083 17 L CA 1.843 56.693 54.840 0.017 0.000 0.752 17 L CB -0.628 41.438 42.059 0.011 0.000 0.899 17 L HN 0.149 nan 8.230 nan 0.000 0.433 18 R N -0.057 120.454 120.500 0.019 0.000 2.096 18 R HA -0.032 4.307 4.340 -0.000 0.000 0.235 18 R C 2.161 178.474 176.300 0.021 0.000 1.127 18 R CA 1.675 57.786 56.100 0.019 0.000 0.968 18 R CB -1.329 28.983 30.300 0.020 0.000 0.861 18 R HN 0.420 nan 8.270 nan 0.000 0.440 19 G N -0.100 108.716 108.800 0.028 0.000 2.408 19 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.217 19 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.217 19 G C 1.426 176.337 174.900 0.017 0.000 1.150 19 G CA 0.908 46.023 45.100 0.025 0.000 0.776 19 G HN 0.353 nan 8.290 nan 0.000 0.542 20 V N 0.068 119.993 119.914 0.018 0.000 2.548 20 V HA -0.061 4.059 4.120 -0.000 0.000 0.249 20 V C 2.177 178.278 176.094 0.012 0.000 1.055 20 V CA 2.196 64.504 62.300 0.014 0.000 1.065 20 V CB -0.444 31.389 31.823 0.016 0.000 0.681 20 V HN 0.186 nan 8.190 nan 0.000 0.462 21 N N 0.769 119.476 118.700 0.012 0.000 2.171 21 N HA -0.061 4.679 4.740 -0.000 0.000 0.184 21 N C 1.796 177.311 175.510 0.008 0.000 1.021 21 N CA 1.787 54.843 53.050 0.009 0.000 0.854 21 N CB -0.523 37.969 38.487 0.009 0.000 0.994 21 N HN 0.478 nan 8.380 nan 0.000 0.426 22 V N 1.471 121.390 119.914 0.008 0.000 2.343 22 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 22 V C 2.372 178.468 176.094 0.004 0.000 1.051 22 V CA 1.115 63.419 62.300 0.006 0.000 1.036 22 V CB -0.553 31.273 31.823 0.006 0.000 0.654 22 V HN 0.209 nan 8.190 nan 0.000 0.451 23 L N 0.778 122.004 121.223 0.004 0.000 1.976 23 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 23 L C 2.487 179.359 176.870 0.002 0.000 1.071 23 L CA 2.464 57.305 54.840 0.002 0.000 0.746 23 L CB -0.861 41.200 42.059 0.002 0.000 0.890 23 L HN 0.198 nan 8.230 nan 0.000 0.432 24 A N -0.602 122.221 122.820 0.005 0.000 1.883 24 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 24 A C 1.996 179.583 177.584 0.004 0.000 1.186 24 A CA 2.049 54.090 52.037 0.006 0.000 0.624 24 A CB -1.049 17.956 19.000 0.008 0.000 0.822 24 A HN 0.587 nan 8.150 nan 0.000 0.444 25 D N -0.011 120.392 120.400 0.004 0.000 2.149 25 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 25 D C 2.203 178.504 176.300 0.002 0.000 0.990 25 D CA 1.537 55.539 54.000 0.003 0.000 0.839 25 D CB -0.427 40.375 40.800 0.003 0.000 0.948 25 D HN 0.439 nan 8.370 nan 0.000 0.460 26 A N 0.326 123.147 122.820 0.001 0.000 1.898 26 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 26 A C 2.494 180.078 177.584 -0.001 0.000 1.181 26 A CA 1.181 53.217 52.037 -0.001 0.000 0.620 26 A CB -0.638 18.361 19.000 -0.002 0.000 0.819 26 A HN 0.156 nan 8.150 nan 0.000 0.442 27 V N 1.214 121.127 119.914 -0.001 0.000 2.407 27 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 27 V C 2.510 178.604 176.094 0.000 0.000 1.041 27 V CA 2.146 64.445 62.300 -0.002 0.000 1.040 27 V CB -0.649 31.173 31.823 -0.002 0.000 0.671 27 V HN 0.846 nan 8.190 nan 0.000 0.455 28 K N 1.422 121.823 120.400 0.002 0.000 2.362 28 K HA -0.085 4.235 4.320 -0.000 0.000 0.200 28 K C 1.784 178.386 176.600 0.003 0.000 1.046 28 K CA 1.643 57.932 56.287 0.004 0.000 0.952 28 K CB -0.535 31.968 32.500 0.006 0.000 0.753 28 K HN 0.484 nan 8.250 nan 0.000 0.466 29 V N -0.073 119.842 119.914 0.002 0.000 2.970 29 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 29 V C 2.088 178.182 176.094 0.001 0.000 1.100 29 V CA 1.633 63.934 62.300 0.001 0.000 1.122 29 V CB -1.073 30.750 31.823 0.000 0.000 0.721 29 V HN 0.518 nan 8.190 nan 0.000 0.483 30 T N -1.884 112.669 114.554 -0.001 0.000 3.169 30 T HA 0.260 4.610 4.350 -0.000 0.000 0.250 30 T C 0.453 175.152 174.700 -0.001 0.000 1.111 30 T CA -0.113 61.986 62.100 -0.002 0.000 1.010 30 T CB -0.298 68.567 68.868 -0.004 0.000 0.984 30 T HN 0.374 nan 8.240 nan 0.000 0.537 31 L N 2.572 123.796 121.223 0.002 0.000 2.360 31 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 31 L C 0.776 177.648 176.870 0.004 0.000 1.121 31 L CA 1.295 56.137 54.840 0.004 0.000 0.845 31 L CB -0.381 41.682 42.059 0.007 0.000 1.143 31 L HN 0.636 nan 8.230 nan 0.000 0.452 32 G N 4.903 113.704 108.800 0.001 0.000 2.782 32 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.228 32 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.228 32 G C -1.863 173.033 174.900 -0.007 0.000 1.372 32 G CA -0.268 44.832 45.100 -0.001 0.000 0.862 32 G HN 0.603 nan 8.290 nan 0.000 0.547 33 P HA 0.014 nan 4.420 nan 0.000 0.220 33 P C 0.950 178.240 177.300 -0.017 0.000 1.148 33 P CA 1.315 64.402 63.100 -0.021 0.000 0.803 33 P CB 0.110 31.788 31.700 -0.036 0.000 0.782 34 K N 0.277 120.671 120.400 -0.010 0.000 2.576 34 K HA 0.243 4.563 4.320 -0.000 0.000 0.209 34 K C 0.987 177.587 176.600 -0.001 0.000 1.049 34 K CA -0.217 56.067 56.287 -0.005 0.000 1.140 34 K CB 0.170 32.670 32.500 0.000 0.000 0.871 34 K HN 0.044 nan 8.250 nan 0.000 0.479 35 G N 1.801 110.599 108.800 -0.003 0.000 2.391 35 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.234 35 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.234 35 G C 0.179 175.077 174.900 -0.003 0.000 1.284 35 G CA -0.233 44.865 45.100 -0.002 0.000 0.873 35 G HN 0.104 nan 8.290 nan 0.000 0.549 36 R N 1.272 121.771 120.500 -0.002 0.000 2.549 36 R HA 0.189 4.529 4.340 -0.000 0.000 0.267 36 R C 0.278 176.576 176.300 -0.003 0.000 1.045 36 R CA -0.763 55.336 56.100 -0.002 0.000 1.115 36 R CB 0.469 30.768 30.300 -0.001 0.000 1.121 36 R HN 0.668 nan 8.270 nan 0.000 0.543 37 N N -0.727 117.970 118.700 -0.004 0.000 2.525 37 N HA 0.230 4.969 4.740 -0.000 0.000 0.271 37 N C -0.789 174.718 175.510 -0.004 0.000 1.194 37 N CA -0.272 52.776 53.050 -0.004 0.000 0.964 37 N CB 0.971 39.456 38.487 -0.004 0.000 1.126 37 N HN 0.098 nan 8.380 nan 0.000 0.452 38 V N 1.854 121.765 119.914 -0.005 0.000 2.604 38 V HA 0.364 4.484 4.120 -0.000 0.000 0.305 38 V C -0.335 175.756 176.094 -0.005 0.000 1.043 38 V CA -0.803 61.494 62.300 -0.005 0.000 0.888 38 V CB 1.876 33.696 31.823 -0.005 0.000 0.995 38 V HN 0.315 nan 8.190 nan 0.000 0.429 39 V N 6.118 126.029 119.914 -0.006 0.000 2.398 39 V HA 0.500 4.620 4.120 -0.000 0.000 0.286 39 V C -0.305 175.785 176.094 -0.007 0.000 1.026 39 V CA -0.449 61.847 62.300 -0.006 0.000 0.868 39 V CB 1.446 33.266 31.823 -0.006 0.000 0.982 39 V HN 0.623 nan 8.190 nan 0.000 0.443 40 L N 3.768 124.987 121.223 -0.007 0.000 2.319 40 L HA 0.538 4.877 4.340 -0.000 0.000 0.281 40 L C -0.237 176.628 176.870 -0.009 0.000 1.005 40 L CA -0.586 54.249 54.840 -0.008 0.000 0.828 40 L CB 1.685 43.740 42.059 -0.007 0.000 1.227 40 L HN 0.504 nan 8.230 nan 0.000 0.415 41 D N 3.338 123.730 120.400 -0.014 0.000 2.372 41 D HA 0.242 4.882 4.640 -0.000 0.000 0.243 41 D C -0.531 175.759 176.300 -0.018 0.000 1.121 41 D CA 0.237 54.225 54.000 -0.020 0.000 0.898 41 D CB 1.065 41.847 40.800 -0.030 0.000 1.202 41 D HN 0.353 nan 8.370 nan 0.000 0.428 42 K N 0.300 120.688 120.400 -0.020 0.000 2.375 42 K HA 0.187 4.507 4.320 -0.000 0.000 0.249 42 K C 0.870 177.439 176.600 -0.053 0.000 0.942 42 K CA -0.566 55.715 56.287 -0.009 0.000 0.806 42 K CB 1.757 34.272 32.500 0.024 0.000 1.227 42 K HN 0.397 nan 8.250 nan 0.000 0.430 43 S N 1.348 117.007 115.700 -0.069 0.000 2.474 43 S HA 0.003 4.473 4.470 -0.000 0.000 0.235 43 S C 0.281 174.563 174.600 -0.530 0.000 0.997 43 S CA 0.633 58.669 58.200 -0.273 0.000 0.949 43 S CB -0.155 62.900 63.200 -0.242 0.000 0.766 43 S HN 0.396 nan 8.310 nan 0.000 0.517 44 F N 0.626 120.573 119.950 -0.005 0.000 2.565 44 F HA 0.658 5.185 4.527 -0.000 0.000 0.313 44 F C 0.995 176.792 175.800 -0.004 0.000 1.091 44 F CA -0.067 57.931 58.000 -0.004 0.000 0.915 44 F CB 1.666 40.663 39.000 -0.004 0.000 1.208 44 F HN 0.340 nan 8.300 nan 0.000 0.453 45 G N 1.100 109.997 108.800 0.160 0.000 2.645 45 G HA2 0.146 4.106 3.960 -0.000 0.000 0.239 45 G HA3 0.146 4.106 3.960 -0.000 0.000 0.239 45 G C -0.499 174.429 174.900 0.047 0.000 1.331 45 G CA -0.552 44.603 45.100 0.092 0.000 0.890 45 G HN 1.262 nan 8.290 nan 0.000 0.572 46 A N 1.359 124.200 122.820 0.035 0.000 2.371 46 A HA 0.712 5.032 4.320 -0.000 0.000 0.257 46 A C -1.031 176.562 177.584 0.015 0.000 1.089 46 A CA -0.013 52.035 52.037 0.019 0.000 0.794 46 A CB -0.047 18.962 19.000 0.015 0.000 1.029 46 A HN 0.844 nan 8.150 nan 0.000 0.488 47 P HA 0.207 nan 4.420 nan 0.000 0.272 47 P C -0.221 177.082 177.300 0.004 0.000 1.230 47 P CA -0.043 63.058 63.100 0.002 0.000 0.788 47 P CB 0.250 31.947 31.700 -0.005 0.000 0.949 48 T N 1.795 116.351 114.554 0.003 0.000 2.869 48 T HA 0.428 4.778 4.350 -0.000 0.000 0.295 48 T C 0.403 175.102 174.700 -0.002 0.000 0.987 48 T CA -0.002 62.099 62.100 0.002 0.000 1.109 48 T CB -0.080 68.788 68.868 0.001 0.000 0.932 48 T HN 0.196 nan 8.240 nan 0.000 0.518 49 I N 2.590 123.159 120.570 -0.002 0.000 2.389 49 I HA 0.481 4.651 4.170 -0.000 0.000 0.288 49 I C 0.273 176.388 176.117 -0.005 0.000 0.999 49 I CA -0.480 60.818 61.300 -0.003 0.000 1.129 49 I CB 2.001 39.999 38.000 -0.003 0.000 1.288 49 I HN 0.535 nan 8.210 nan 0.000 0.444 50 T N 4.408 118.959 114.554 -0.006 0.000 2.883 50 T HA 0.435 4.785 4.350 -0.000 0.000 0.301 50 T C -0.271 174.424 174.700 -0.007 0.000 1.158 50 T CA -0.611 61.485 62.100 -0.007 0.000 1.007 50 T CB 1.650 70.513 68.868 -0.008 0.000 1.186 50 T HN 0.651 nan 8.240 nan 0.000 0.499 51 K N 1.738 122.133 120.400 -0.008 0.000 2.564 51 K HA 0.232 4.552 4.320 -0.000 0.000 0.205 51 K C -0.779 175.815 176.600 -0.010 0.000 1.053 51 K CA -0.287 55.995 56.287 -0.008 0.000 1.072 51 K CB 0.508 33.003 32.500 -0.008 0.000 0.822 51 K HN 0.523 nan 8.250 nan 0.000 0.497 52 D N -0.351 120.042 120.400 -0.011 0.000 2.349 52 D HA 0.168 4.808 4.640 -0.000 0.000 0.232 52 D C 1.241 177.533 176.300 -0.013 0.000 1.071 52 D CA -0.400 53.591 54.000 -0.014 0.000 0.832 52 D CB 1.399 42.189 40.800 -0.017 0.000 1.086 52 D HN 0.112 nan 8.370 nan 0.000 0.504 53 G N 2.380 111.173 108.800 -0.012 0.000 2.469 53 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 53 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 53 G C 1.465 176.356 174.900 -0.014 0.000 1.150 53 G CA 0.939 46.033 45.100 -0.011 0.000 0.763 53 G HN 0.485 nan 8.290 nan 0.000 0.561 54 V N 0.868 120.771 119.914 -0.019 0.000 2.407 54 V HA -0.184 3.935 4.120 -0.000 0.000 0.248 54 V C 3.107 179.189 176.094 -0.020 0.000 1.055 54 V CA 2.200 64.487 62.300 -0.022 0.000 1.049 54 V CB -0.501 31.305 31.823 -0.028 0.000 0.662 54 V HN 0.373 nan 8.190 nan 0.000 0.455 55 S N -0.196 115.493 115.700 -0.018 0.000 2.368 55 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 55 S C 1.999 176.591 174.600 -0.013 0.000 1.030 55 S CA 1.550 59.741 58.200 -0.015 0.000 0.999 55 S CB -0.178 63.014 63.200 -0.013 0.000 0.844 55 S HN 0.402 nan 8.310 nan 0.000 0.459 56 V N 2.042 121.949 119.914 -0.012 0.000 2.270 56 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 56 V C 2.680 178.767 176.094 -0.011 0.000 1.043 56 V CA 1.632 63.926 62.300 -0.010 0.000 1.014 56 V CB -1.319 30.499 31.823 -0.008 0.000 0.645 56 V HN 0.530 nan 8.190 nan 0.000 0.447 57 A N -0.117 122.696 122.820 -0.012 0.000 1.958 57 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 57 A C 2.365 179.940 177.584 -0.016 0.000 1.178 57 A CA 2.142 54.171 52.037 -0.014 0.000 0.642 57 A CB -0.607 18.383 19.000 -0.016 0.000 0.816 57 A HN 0.499 nan 8.150 nan 0.000 0.453 58 R N -0.817 119.673 120.500 -0.017 0.000 2.189 58 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 58 R C 1.281 177.572 176.300 -0.016 0.000 1.092 58 R CA 1.143 57.231 56.100 -0.019 0.000 0.989 58 R CB -0.064 30.225 30.300 -0.019 0.000 0.876 58 R HN 0.507 nan 8.270 nan 0.000 0.457 59 E N 0.126 120.318 120.200 -0.013 0.000 2.447 59 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 59 E C 0.306 176.899 176.600 -0.012 0.000 1.028 59 E CA 0.190 56.582 56.400 -0.012 0.000 0.876 59 E CB 0.361 30.055 29.700 -0.011 0.000 0.885 59 E HN 0.132 nan 8.360 nan 0.000 0.500 60 I N 2.226 122.788 120.570 -0.012 0.000 2.379 60 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 60 I C 0.341 176.451 176.117 -0.012 0.000 1.063 60 I CA 0.161 61.455 61.300 -0.011 0.000 1.351 60 I CB 0.045 38.040 38.000 -0.008 0.000 1.410 60 I HN -0.033 nan 8.210 nan 0.000 0.505 61 E N 7.222 127.415 120.200 -0.012 0.000 2.321 61 E HA 0.560 4.910 4.350 -0.000 0.000 0.281 61 E C -1.854 174.739 176.600 -0.012 0.000 0.910 61 E CA -0.610 55.781 56.400 -0.014 0.000 0.770 61 E CB 2.028 31.718 29.700 -0.017 0.000 1.225 61 E HN 0.453 nan 8.360 nan 0.000 0.417 62 L N 3.285 124.502 121.223 -0.011 0.000 2.322 62 L HA 0.422 4.762 4.340 -0.000 0.000 0.269 62 L C 1.365 178.230 176.870 -0.009 0.000 1.012 62 L CA -0.598 54.239 54.840 -0.005 0.000 0.815 62 L CB 1.646 43.707 42.059 0.003 0.000 1.295 62 L HN 0.759 nan 8.230 nan 0.000 0.438 63 E N 0.415 120.613 120.200 -0.003 0.000 2.033 63 E HA -0.147 4.203 4.350 -0.000 0.000 0.189 63 E C 0.412 177.012 176.600 -0.000 0.000 0.979 63 E CA 0.373 56.770 56.400 -0.004 0.000 0.802 63 E CB 0.271 29.971 29.700 0.001 0.000 0.763 63 E HN 0.650 nan 8.360 nan 0.000 0.449 64 D N 0.967 121.378 120.400 0.018 0.000 2.434 64 D HA -0.075 4.565 4.640 -0.000 0.000 0.252 64 D C 0.638 176.950 176.300 0.020 0.000 1.185 64 D CA 0.170 54.197 54.000 0.044 0.000 0.886 64 D CB 0.889 41.735 40.800 0.077 0.000 1.148 64 D HN 0.073 nan 8.370 nan 0.000 0.483 65 K N 3.545 123.923 120.400 -0.038 0.000 2.209 65 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 65 K C 1.732 178.197 176.600 -0.224 0.000 1.048 65 K CA 0.903 57.085 56.287 -0.175 0.000 0.940 65 K CB -0.058 32.251 32.500 -0.318 0.000 0.729 65 K HN 0.476 nan 8.250 nan 0.000 0.451 66 F N 1.742 121.681 119.950 -0.017 0.000 2.179 66 F HA 0.004 4.531 4.527 -0.000 0.000 0.292 66 F C 2.355 178.145 175.800 -0.016 0.000 1.089 66 F CA 0.744 58.731 58.000 -0.021 0.000 1.295 66 F CB -0.322 38.665 39.000 -0.022 0.000 1.041 66 F HN 0.017 nan 8.300 nan 0.000 0.487 67 E N 0.222 120.525 120.200 0.171 0.000 2.097 67 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 67 E C 1.775 178.401 176.600 0.043 0.000 1.000 67 E CA 1.592 58.043 56.400 0.085 0.000 0.804 67 E CB -0.420 29.319 29.700 0.064 0.000 0.740 67 E HN 0.309 nan 8.360 nan 0.000 0.454 68 N N 0.563 119.274 118.700 0.018 0.000 2.120 68 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 68 N C 1.761 177.264 175.510 -0.012 0.000 1.024 68 N CA 1.328 54.373 53.050 -0.009 0.000 0.852 68 N CB -0.020 38.447 38.487 -0.033 0.000 1.003 68 N HN 0.084 nan 8.380 nan 0.000 0.424 69 M N -0.739 118.851 119.600 -0.017 0.000 2.080 69 M HA -0.060 4.420 4.480 -0.000 0.000 0.260 69 M C 2.208 178.514 176.300 0.010 0.000 1.068 69 M CA 1.777 57.068 55.300 -0.014 0.000 1.109 69 M CB -0.661 31.930 32.600 -0.016 0.000 1.342 69 M HN 0.312 nan 8.290 nan 0.000 0.405 70 G N -0.152 108.667 108.800 0.031 0.000 2.442 70 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 70 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 70 G C 1.618 176.527 174.900 0.015 0.000 1.141 70 G CA 1.040 46.157 45.100 0.028 0.000 0.763 70 G HN 0.555 nan 8.290 nan 0.000 0.554 71 A N -0.063 122.763 122.820 0.010 0.000 1.898 71 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 71 A C 2.415 179.998 177.584 -0.002 0.000 1.181 71 A CA 1.868 53.907 52.037 0.004 0.000 0.620 71 A CB -0.291 18.709 19.000 0.001 0.000 0.819 71 A HN 0.301 nan 8.150 nan 0.000 0.442 72 Q N -0.585 119.211 119.800 -0.006 0.000 2.172 72 Q HA -0.030 4.310 4.340 -0.000 0.000 0.200 72 Q C 2.111 178.105 176.000 -0.009 0.000 0.964 72 Q CA 1.379 57.175 55.803 -0.013 0.000 0.855 72 Q CB -0.519 28.208 28.738 -0.019 0.000 0.918 72 Q HN 0.784 nan 8.270 nan 0.000 0.444 73 M N -0.513 119.086 119.600 -0.002 0.000 2.099 73 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 73 M C 2.258 178.561 176.300 0.006 0.000 1.067 73 M CA 1.151 56.453 55.300 0.003 0.000 1.124 73 M CB -0.423 32.183 32.600 0.010 0.000 1.353 73 M HN 0.068 nan 8.290 nan 0.000 0.410 74 V N 0.351 120.269 119.914 0.008 0.000 2.515 74 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 74 V C 1.990 178.084 176.094 0.001 0.000 1.058 74 V CA 1.858 64.164 62.300 0.010 0.000 1.064 74 V CB -0.421 31.410 31.823 0.014 0.000 0.675 74 V HN 0.407 nan 8.190 nan 0.000 0.461 75 K N -0.267 120.129 120.400 -0.007 0.000 2.360 75 K HA -0.154 4.166 4.320 -0.000 0.000 0.201 75 K C 1.977 178.559 176.600 -0.030 0.000 1.046 75 K CA 1.375 57.652 56.287 -0.018 0.000 0.940 75 K CB -0.050 32.438 32.500 -0.020 0.000 0.748 75 K HN 0.494 nan 8.250 nan 0.000 0.465 76 E N 0.034 120.218 120.200 -0.026 0.000 2.347 76 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 76 E C 1.820 178.379 176.600 -0.068 0.000 1.008 76 E CA 0.524 56.897 56.400 -0.045 0.000 0.852 76 E CB 0.195 29.880 29.700 -0.025 0.000 0.783 76 E HN 0.096 nan 8.360 nan 0.000 0.505 77 V N 1.417 121.314 119.914 -0.028 0.000 2.244 77 V HA -0.247 3.872 4.120 -0.000 0.000 0.244 77 V C 2.473 178.529 176.094 -0.063 0.000 1.042 77 V CA 1.893 64.186 62.300 -0.011 0.000 1.006 77 V CB -0.831 31.014 31.823 0.036 0.000 0.641 77 V HN 0.242 nan 8.190 nan 0.000 0.446 78 A N 0.696 123.490 122.820 -0.043 0.000 1.883 78 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 78 A C 2.556 180.084 177.584 -0.095 0.000 1.186 78 A CA 2.795 54.802 52.037 -0.050 0.000 0.624 78 A CB -0.860 18.121 19.000 -0.031 0.000 0.822 78 A HN 0.702 nan 8.150 nan 0.000 0.444 79 S N -0.289 115.347 115.700 -0.107 0.000 2.387 79 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 79 S C 1.853 176.336 174.600 -0.195 0.000 1.026 79 S CA 1.329 59.458 58.200 -0.118 0.000 0.972 79 S CB -0.330 62.816 63.200 -0.090 0.000 0.814 79 S HN 0.575 nan 8.310 nan 0.000 0.477 80 K N 1.984 122.191 120.400 -0.322 0.000 2.026 80 K HA 0.088 4.408 4.320 -0.000 0.000 0.208 80 K C 2.559 178.751 176.600 -0.680 0.000 1.048 80 K CA 1.247 57.166 56.287 -0.613 0.000 0.929 80 K CB -0.703 31.176 32.500 -1.036 0.000 0.713 80 K HN 0.477 nan 8.250 nan 0.000 0.439 81 A N 1.856 124.369 122.820 -0.511 0.000 1.917 81 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 81 A C 2.028 179.573 177.584 -0.064 0.000 1.182 81 A CA 2.226 54.185 52.037 -0.130 0.000 0.633 81 A CB -0.810 18.199 19.000 0.014 0.000 0.819 81 A HN 0.336 nan 8.150 nan 0.000 0.448 82 N N 0.278 118.925 118.700 -0.088 0.000 2.058 82 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 82 N C 1.157 176.647 175.510 -0.033 0.000 1.037 82 N CA 1.949 54.970 53.050 -0.048 0.000 0.848 82 N CB -0.424 38.029 38.487 -0.056 0.000 1.021 82 N HN 0.412 nan 8.380 nan 0.000 0.422 83 D N -0.212 120.146 120.400 -0.069 0.000 2.182 83 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 83 D C 1.603 177.901 176.300 -0.003 0.000 0.986 83 D CA 1.326 55.301 54.000 -0.042 0.000 0.847 83 D CB -0.446 40.308 40.800 -0.077 0.000 0.942 83 D HN 0.464 nan 8.370 nan 0.000 0.467 84 A N -0.058 122.764 122.820 0.002 0.000 1.975 84 A HA 0.346 4.666 4.320 -0.000 0.000 0.215 84 A C 1.984 179.621 177.584 0.089 0.000 1.170 84 A CA 1.554 53.638 52.037 0.079 0.000 0.656 84 A CB 0.147 19.272 19.000 0.208 0.000 0.821 84 A HN 0.227 nan 8.150 nan 0.000 0.449 85 A N -2.685 120.193 122.820 0.098 0.000 2.474 85 A HA 0.465 4.785 4.320 -0.000 0.000 0.221 85 A C 1.612 179.325 177.584 0.214 0.000 1.298 85 A CA 1.052 53.163 52.037 0.124 0.000 1.008 85 A CB -0.489 18.577 19.000 0.110 0.000 1.217 85 A HN 1.745 nan 8.150 nan 0.000 0.553 86 G N -0.012 108.880 108.800 0.153 0.000 2.361 86 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.294 86 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.294 86 G C -0.101 174.798 174.900 -0.001 0.000 1.004 86 G CA 1.134 46.269 45.100 0.059 0.000 0.870 86 G HN 0.733 nan 8.290 nan 0.000 0.510 87 D N -2.874 117.550 120.400 0.039 0.000 2.710 87 D HA 0.522 5.162 4.640 -0.000 0.000 0.276 87 D C 0.826 177.144 176.300 0.031 0.000 1.267 87 D CA 0.958 54.970 54.000 0.020 0.000 0.772 87 D CB 0.373 41.197 40.800 0.041 0.000 1.299 87 D HN 1.247 nan 8.370 nan 0.000 0.421 88 G N 0.088 108.901 108.800 0.022 0.000 2.143 88 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 88 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 88 G C 0.955 175.870 174.900 0.025 0.000 0.991 88 G CA 1.766 46.883 45.100 0.029 0.000 0.689 88 G HN 0.861 nan 8.290 nan 0.000 0.522 89 T N -3.624 110.935 114.554 0.009 0.000 2.904 89 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 89 T C 2.185 176.888 174.700 0.006 0.000 1.059 89 T CA 2.396 64.497 62.100 0.002 0.000 1.137 89 T CB -0.269 68.590 68.868 -0.015 0.000 0.879 89 T HN 0.256 nan 8.240 nan 0.000 0.467 90 T N 1.900 116.457 114.554 0.005 0.000 2.851 90 T HA -0.027 4.323 4.350 -0.000 0.000 0.262 90 T C 2.222 176.930 174.700 0.014 0.000 1.043 90 T CA 1.608 63.712 62.100 0.006 0.000 1.140 90 T CB -0.858 68.012 68.868 0.003 0.000 0.872 90 T HN 0.481 nan 8.240 nan 0.000 0.446 91 T N 2.371 116.936 114.554 0.018 0.000 2.653 91 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 91 T C 2.334 177.053 174.700 0.031 0.000 1.035 91 T CA 1.487 63.601 62.100 0.024 0.000 1.154 91 T CB -0.620 68.264 68.868 0.027 0.000 0.862 91 T HN 0.443 nan 8.240 nan 0.000 0.441 92 A N 1.112 123.955 122.820 0.038 0.000 1.902 92 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 92 A C 2.592 180.201 177.584 0.041 0.000 1.181 92 A CA 2.122 54.191 52.037 0.052 0.000 0.623 92 A CB -1.220 17.820 19.000 0.066 0.000 0.818 92 A HN 0.501 nan 8.150 nan 0.000 0.443 93 T N -0.352 114.218 114.554 0.026 0.000 2.746 93 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 93 T C 1.982 176.694 174.700 0.019 0.000 1.039 93 T CA 1.755 63.867 62.100 0.019 0.000 1.142 93 T CB -0.668 68.206 68.868 0.010 0.000 0.866 93 T HN 0.591 nan 8.240 nan 0.000 0.444 94 V N 0.960 120.886 119.914 0.019 0.000 2.427 94 V HA -0.045 4.075 4.120 -0.000 0.000 0.248 94 V C 2.176 178.282 176.094 0.019 0.000 1.051 94 V CA 1.422 63.733 62.300 0.017 0.000 1.048 94 V CB -0.851 30.981 31.823 0.014 0.000 0.666 94 V HN 0.477 nan 8.190 nan 0.000 0.456 95 L N 0.663 121.901 121.223 0.024 0.000 2.017 95 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 95 L C 3.053 179.938 176.870 0.025 0.000 1.073 95 L CA 1.830 56.685 54.840 0.025 0.000 0.745 95 L CB -0.994 41.083 42.059 0.030 0.000 0.894 95 L HN 0.454 nan 8.230 nan 0.000 0.432 96 A N -0.435 122.403 122.820 0.030 0.000 1.865 96 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 96 A C 2.273 179.870 177.584 0.023 0.000 1.191 96 A CA 2.036 54.091 52.037 0.030 0.000 0.623 96 A CB -0.738 18.283 19.000 0.035 0.000 0.826 96 A HN 0.517 nan 8.150 nan 0.000 0.444 97 Q N -0.473 119.338 119.800 0.019 0.000 2.077 97 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 97 Q C 2.174 178.183 176.000 0.014 0.000 0.989 97 Q CA 2.036 57.848 55.803 0.016 0.000 0.853 97 Q CB -0.391 28.355 28.738 0.013 0.000 0.907 97 Q HN 0.591 nan 8.270 nan 0.000 0.418 98 A N 0.683 123.511 122.820 0.014 0.000 1.902 98 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 98 A C 2.001 179.593 177.584 0.013 0.000 1.181 98 A CA 1.492 53.537 52.037 0.013 0.000 0.623 98 A CB -0.625 18.383 19.000 0.013 0.000 0.818 98 A HN 0.503 nan 8.150 nan 0.000 0.443 99 I N -0.516 120.063 120.570 0.015 0.000 2.202 99 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 99 I C 2.281 178.406 176.117 0.013 0.000 1.091 99 I CA 1.155 62.463 61.300 0.014 0.000 1.368 99 I CB -0.374 37.635 38.000 0.015 0.000 1.058 99 I HN 0.271 nan 8.210 nan 0.000 0.410 100 I N 0.441 121.020 120.570 0.015 0.000 2.151 100 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 100 I C 2.595 178.719 176.117 0.012 0.000 1.080 100 I CA 1.676 62.985 61.300 0.015 0.000 1.339 100 I CB -0.594 37.416 38.000 0.017 0.000 1.039 100 I HN 0.251 nan 8.210 nan 0.000 0.409 101 T N 0.100 114.661 114.554 0.011 0.000 2.668 101 T HA -0.138 4.212 4.350 -0.000 0.000 0.262 101 T C 1.820 176.525 174.700 0.009 0.000 1.045 101 T CA 1.261 63.367 62.100 0.010 0.000 1.152 101 T CB -0.142 68.731 68.868 0.009 0.000 0.864 101 T HN 0.294 nan 8.240 nan 0.000 0.419 102 E N 0.643 120.848 120.200 0.008 0.000 2.204 102 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 102 E C 2.448 179.053 176.600 0.007 0.000 0.989 102 E CA 0.871 57.275 56.400 0.007 0.000 0.824 102 E CB -0.662 29.042 29.700 0.007 0.000 0.756 102 E HN 0.565 nan 8.360 nan 0.000 0.477 103 G N 1.445 110.250 108.800 0.009 0.000 2.404 103 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 103 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 103 G C 1.718 176.623 174.900 0.009 0.000 1.174 103 G CA 0.348 45.453 45.100 0.009 0.000 0.780 103 G HN 0.168 nan 8.290 nan 0.000 0.537 104 L N -0.263 120.966 121.223 0.009 0.000 2.201 104 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 104 L C 2.856 179.730 176.870 0.007 0.000 1.105 104 L CA 0.875 55.721 54.840 0.009 0.000 0.775 104 L CB -0.232 41.833 42.059 0.009 0.000 0.913 104 L HN 0.171 nan 8.230 nan 0.000 0.440 105 K N 0.077 120.481 120.400 0.006 0.000 2.103 105 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 105 K C 2.233 178.835 176.600 0.005 0.000 1.052 105 K CA 1.120 57.410 56.287 0.005 0.000 0.945 105 K CB -0.073 32.430 32.500 0.005 0.000 0.722 105 K HN 0.265 nan 8.250 nan 0.000 0.443 106 A N 0.686 123.510 122.820 0.005 0.000 1.930 106 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 106 A C 2.227 179.815 177.584 0.006 0.000 1.175 106 A CA 1.153 53.193 52.037 0.005 0.000 0.627 106 A CB -0.499 18.504 19.000 0.006 0.000 0.815 106 A HN 0.067 nan 8.150 nan 0.000 0.443 107 V N -0.017 119.901 119.914 0.007 0.000 2.287 107 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 107 V C 3.021 179.119 176.094 0.007 0.000 1.053 107 V CA 2.064 64.369 62.300 0.008 0.000 1.027 107 V CB -1.213 30.616 31.823 0.010 0.000 0.646 107 V HN 0.601 nan 8.190 nan 0.000 0.447 108 A N -0.307 122.516 122.820 0.006 0.000 2.067 108 A HA 0.052 4.371 4.320 -0.000 0.000 0.219 108 A C 2.230 179.816 177.584 0.003 0.000 1.158 108 A CA 1.580 53.619 52.037 0.004 0.000 0.661 108 A CB -0.514 18.488 19.000 0.003 0.000 0.801 108 A HN 0.590 nan 8.150 nan 0.000 0.452 109 A N -1.925 120.897 122.820 0.003 0.000 2.208 109 A HA 0.409 4.729 4.320 -0.000 0.000 0.209 109 A C 1.702 179.288 177.584 0.002 0.000 1.161 109 A CA 1.278 53.317 52.037 0.002 0.000 0.782 109 A CB -0.656 18.345 19.000 0.002 0.000 0.816 109 A HN 1.764 nan 8.150 nan 0.000 0.477 110 G N -2.132 106.670 108.800 0.003 0.000 2.184 110 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.206 110 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.206 110 G C 0.149 175.052 174.900 0.004 0.000 0.995 110 G CA 0.107 45.209 45.100 0.003 0.000 0.651 110 G HN 0.327 nan 8.290 nan 0.000 0.511 111 M N 0.707 120.310 119.600 0.005 0.000 2.291 111 M HA 0.310 4.790 4.480 -0.000 0.000 0.324 111 M C 0.557 176.860 176.300 0.006 0.000 1.148 111 M CA -0.634 54.669 55.300 0.005 0.000 1.104 111 M CB 0.635 33.238 32.600 0.005 0.000 1.483 111 M HN 0.158 nan 8.290 nan 0.000 0.467 112 N N 2.195 120.899 118.700 0.006 0.000 2.411 112 N HA 0.147 4.887 4.740 -0.000 0.000 0.259 112 N C -2.214 173.301 175.510 0.008 0.000 1.103 112 N CA -1.508 51.547 53.050 0.007 0.000 0.954 112 N CB 1.267 39.758 38.487 0.006 0.000 1.085 112 N HN 0.247 nan 8.380 nan 0.000 0.485 113 P HA -0.104 nan 4.420 nan 0.000 0.216 113 P C 1.655 178.961 177.300 0.010 0.000 1.153 113 P CA 1.382 64.489 63.100 0.011 0.000 0.848 113 P CB 0.192 31.900 31.700 0.015 0.000 0.787 114 M N -0.858 118.747 119.600 0.010 0.000 2.159 114 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 114 M C 1.406 177.710 176.300 0.006 0.000 1.063 114 M CA 1.570 56.875 55.300 0.008 0.000 1.110 114 M CB -1.683 30.922 32.600 0.009 0.000 1.374 114 M HN -0.016 nan 8.290 nan 0.000 0.411 115 D N 0.770 121.173 120.400 0.006 0.000 2.144 115 D HA -0.024 4.616 4.640 -0.000 0.000 0.200 115 D C 2.342 178.645 176.300 0.004 0.000 0.978 115 D CA 0.924 54.926 54.000 0.004 0.000 0.833 115 D CB -0.119 40.683 40.800 0.004 0.000 0.961 115 D HN 0.327 nan 8.370 nan 0.000 0.470 116 L N 0.707 121.933 121.223 0.005 0.000 2.046 116 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 116 L C 2.504 179.377 176.870 0.005 0.000 1.077 116 L CA 1.187 56.030 54.840 0.005 0.000 0.747 116 L CB -0.284 41.779 42.059 0.007 0.000 0.896 116 L HN -0.017 nan 8.230 nan 0.000 0.432 117 K N 0.383 120.786 120.400 0.006 0.000 2.057 117 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 117 K C 2.324 178.926 176.600 0.002 0.000 1.050 117 K CA 1.262 57.552 56.287 0.005 0.000 0.935 117 K CB -0.024 32.480 32.500 0.006 0.000 0.715 117 K HN 0.054 nan 8.250 nan 0.000 0.439 118 R N -0.086 120.415 120.500 0.002 0.000 2.081 118 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 118 R C 2.277 178.577 176.300 -0.001 0.000 1.131 118 R CA 1.774 57.874 56.100 0.000 0.000 0.960 118 R CB -0.613 29.687 30.300 0.001 0.000 0.856 118 R HN 0.399 nan 8.270 nan 0.000 0.436 119 G N 0.825 109.625 108.800 0.001 0.000 2.418 119 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 119 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 119 G C 1.431 176.331 174.900 -0.000 0.000 1.158 119 G CA 1.015 46.115 45.100 0.000 0.000 0.771 119 G HN 0.286 nan 8.290 nan 0.000 0.545 120 I N 0.976 121.546 120.570 0.000 0.000 2.179 120 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 120 I C 2.263 178.378 176.117 -0.004 0.000 1.088 120 I CA 1.259 62.559 61.300 0.000 0.000 1.357 120 I CB -0.175 37.826 38.000 0.002 0.000 1.051 120 I HN 0.028 nan 8.210 nan 0.000 0.409 121 D N 0.691 121.088 120.400 -0.006 0.000 2.144 121 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 121 D C 2.068 178.362 176.300 -0.011 0.000 0.984 121 D CA 1.074 55.067 54.000 -0.011 0.000 0.834 121 D CB -0.188 40.606 40.800 -0.011 0.000 0.955 121 D HN 0.288 nan 8.370 nan 0.000 0.465 122 K N 0.641 121.037 120.400 -0.007 0.000 2.025 122 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 122 K C 2.015 178.611 176.600 -0.006 0.000 1.049 122 K CA 1.171 57.454 56.287 -0.007 0.000 0.933 122 K CB -0.016 32.481 32.500 -0.004 0.000 0.714 122 K HN 0.009 nan 8.250 nan 0.000 0.438 123 A N 0.679 123.496 122.820 -0.005 0.000 1.908 123 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 123 A C 2.214 179.794 177.584 -0.006 0.000 1.181 123 A CA 1.655 53.690 52.037 -0.003 0.000 0.627 123 A CB -0.583 18.416 19.000 -0.001 0.000 0.818 123 A HN 0.191 nan 8.150 nan 0.000 0.445 124 V N -0.637 119.272 119.914 -0.010 0.000 2.379 124 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 124 V C 2.719 178.802 176.094 -0.019 0.000 1.044 124 V CA 2.349 64.640 62.300 -0.016 0.000 1.036 124 V CB -1.125 30.685 31.823 -0.023 0.000 0.664 124 V HN 0.591 nan 8.190 nan 0.000 0.453 125 T N 0.179 114.722 114.554 -0.019 0.000 2.720 125 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 125 T C 1.883 176.575 174.700 -0.013 0.000 1.037 125 T CA 1.834 63.923 62.100 -0.019 0.000 1.144 125 T CB -0.193 68.665 68.868 -0.017 0.000 0.864 125 T HN 0.304 nan 8.240 nan 0.000 0.444 126 V N 1.315 121.224 119.914 -0.009 0.000 2.591 126 V HA -0.017 4.103 4.120 -0.000 0.000 0.249 126 V C 2.790 178.882 176.094 -0.004 0.000 1.053 126 V CA 1.261 63.558 62.300 -0.005 0.000 1.068 126 V CB -1.072 30.750 31.823 -0.003 0.000 0.689 126 V HN 0.493 nan 8.190 nan 0.000 0.462 127 A N 0.060 122.877 122.820 -0.004 0.000 1.902 127 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 127 A C 2.396 179.979 177.584 -0.003 0.000 1.181 127 A CA 1.996 54.033 52.037 -0.001 0.000 0.623 127 A CB -0.622 18.378 19.000 -0.001 0.000 0.818 127 A HN 0.325 nan 8.150 nan 0.000 0.443 128 V N 0.172 120.080 119.914 -0.009 0.000 2.343 128 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 128 V C 2.402 178.491 176.094 -0.007 0.000 1.051 128 V CA 2.340 64.634 62.300 -0.011 0.000 1.036 128 V CB -0.858 30.952 31.823 -0.022 0.000 0.654 128 V HN 0.667 nan 8.190 nan 0.000 0.451 129 E N -0.151 120.045 120.200 -0.006 0.000 2.077 129 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 129 E C 2.222 178.822 176.600 0.001 0.000 0.989 129 E CA 1.432 57.830 56.400 -0.003 0.000 0.800 129 E CB -0.132 29.566 29.700 -0.003 0.000 0.746 129 E HN 0.551 nan 8.360 nan 0.000 0.452 130 E N 0.797 120.998 120.200 0.002 0.000 2.106 130 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 130 E C 1.806 178.410 176.600 0.007 0.000 0.984 130 E CA 0.459 56.862 56.400 0.005 0.000 0.806 130 E CB -0.115 29.588 29.700 0.006 0.000 0.750 130 E HN 0.074 nan 8.360 nan 0.000 0.458 131 L N 0.947 122.174 121.223 0.007 0.000 2.079 131 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 131 L C 1.894 178.769 176.870 0.008 0.000 1.081 131 L CA 1.815 56.660 54.840 0.009 0.000 0.752 131 L CB -0.424 41.639 42.059 0.007 0.000 0.896 131 L HN 0.075 nan 8.230 nan 0.000 0.433 132 K N -1.352 119.051 120.400 0.005 0.000 2.097 132 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 132 K C 2.013 178.617 176.600 0.006 0.000 1.050 132 K CA 1.176 57.466 56.287 0.005 0.000 0.938 132 K CB -0.228 32.274 32.500 0.002 0.000 0.718 132 K HN 0.373 nan 8.250 nan 0.000 0.442 133 A N 1.005 123.829 122.820 0.007 0.000 2.014 133 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 133 A C 1.948 179.538 177.584 0.010 0.000 1.163 133 A CA 0.954 52.995 52.037 0.008 0.000 0.652 133 A CB -0.370 18.634 19.000 0.007 0.000 0.808 133 A HN 0.144 nan 8.150 nan 0.000 0.449 134 L N -0.504 120.727 121.223 0.012 0.000 2.313 134 L HA 0.020 4.360 4.340 -0.000 0.000 0.214 134 L C 1.334 178.213 176.870 0.015 0.000 1.119 134 L CA 0.098 54.947 54.840 0.015 0.000 0.809 134 L CB -0.328 41.742 42.059 0.019 0.000 0.933 134 L HN 0.294 nan 8.230 nan 0.000 0.449 135 S N 0.303 116.011 115.700 0.013 0.000 2.537 135 S HA 0.114 4.584 4.470 -0.000 0.000 0.286 135 S C -0.048 174.559 174.600 0.011 0.000 1.299 135 S CA -0.432 57.775 58.200 0.012 0.000 1.067 135 S CB 0.554 63.760 63.200 0.010 0.000 0.864 135 S HN -0.042 nan 8.310 nan 0.000 0.494 136 V N 9.111 129.032 119.914 0.012 0.000 2.406 136 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 136 V C -1.925 174.175 176.094 0.009 0.000 1.043 136 V CA -1.778 60.528 62.300 0.011 0.000 0.915 136 V CB 1.029 32.860 31.823 0.013 0.000 0.988 136 V HN 0.746 nan 8.190 nan 0.000 0.466 137 P HA 0.121 nan 4.420 nan 0.000 0.270 137 P C -0.551 176.752 177.300 0.005 0.000 1.223 137 P CA -0.277 62.826 63.100 0.006 0.000 0.785 137 P CB 0.480 32.183 31.700 0.005 0.000 0.923 138 C N 2.279 121.581 119.300 0.004 0.000 3.002 138 C HA 0.457 4.916 4.460 -0.000 0.000 0.248 138 C C 1.133 176.124 174.990 0.001 0.000 1.153 138 C CA 0.125 59.145 59.018 0.003 0.000 1.502 138 C CB -1.452 26.289 27.740 0.003 0.000 1.805 138 C HN 0.539 nan 8.230 nan 0.000 0.450 139 S N 1.591 117.292 115.700 0.002 0.000 2.599 139 S HA 0.126 4.596 4.470 -0.000 0.000 0.236 139 S C 0.277 174.878 174.600 0.001 0.000 1.077 139 S CA 0.176 58.377 58.200 0.001 0.000 0.906 139 S CB 0.114 63.315 63.200 0.002 0.000 0.804 139 S HN 0.946 nan 8.310 nan 0.000 0.497 140 D N 1.031 121.432 120.400 0.002 0.000 2.387 140 D HA 0.320 4.960 4.640 -0.000 0.000 0.251 140 D C 1.038 177.339 176.300 0.001 0.000 1.141 140 D CA -0.099 53.902 54.000 0.002 0.000 0.987 140 D CB 0.531 41.333 40.800 0.002 0.000 1.116 140 D HN 0.087 nan 8.370 nan 0.000 0.491 141 S N -0.652 115.049 115.700 0.001 0.000 2.453 141 S HA -0.185 4.285 4.470 -0.000 0.000 0.231 141 S C 1.592 176.193 174.600 0.002 0.000 1.005 141 S CA 0.551 58.752 58.200 0.001 0.000 0.949 141 S CB -0.416 62.784 63.200 0.001 0.000 0.774 141 S HN 0.534 nan 8.310 nan 0.000 0.510 142 K N 1.780 122.181 120.400 0.002 0.000 2.002 142 K HA -0.065 4.254 4.320 -0.000 0.000 0.209 142 K C 2.398 179.000 176.600 0.003 0.000 1.048 142 K CA 1.345 57.634 56.287 0.003 0.000 0.930 142 K CB -0.757 31.745 32.500 0.003 0.000 0.714 142 K HN 0.428 nan 8.250 nan 0.000 0.438 143 A N 1.481 124.303 122.820 0.003 0.000 1.917 143 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 143 A C 2.132 179.718 177.584 0.003 0.000 1.182 143 A CA 1.781 53.820 52.037 0.004 0.000 0.633 143 A CB -0.678 18.325 19.000 0.004 0.000 0.819 143 A HN 0.398 nan 8.150 nan 0.000 0.448 144 I N -0.483 120.088 120.570 0.003 0.000 2.286 144 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 144 I C 2.870 178.989 176.117 0.003 0.000 1.115 144 I CA 1.024 62.325 61.300 0.002 0.000 1.392 144 I CB -0.223 37.777 38.000 0.001 0.000 1.065 144 I HN 0.376 nan 8.210 nan 0.000 0.418 145 A N -0.191 122.630 122.820 0.003 0.000 1.930 145 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 145 A C 2.256 179.842 177.584 0.004 0.000 1.176 145 A CA 1.078 53.117 52.037 0.003 0.000 0.632 145 A CB -0.458 18.543 19.000 0.003 0.000 0.819 145 A HN 0.383 nan 8.150 nan 0.000 0.445 146 Q N -0.432 119.371 119.800 0.004 0.000 2.030 146 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 146 Q C 2.149 178.152 176.000 0.004 0.000 0.986 146 Q CA 1.997 57.802 55.803 0.004 0.000 0.843 146 Q CB -0.311 28.429 28.738 0.004 0.000 0.904 146 Q HN 0.470 nan 8.270 nan 0.000 0.420 147 V N -0.029 119.888 119.914 0.006 0.000 2.343 147 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 147 V C 2.182 178.282 176.094 0.009 0.000 1.051 147 V CA 1.922 64.226 62.300 0.008 0.000 1.036 147 V CB -1.120 30.708 31.823 0.008 0.000 0.654 147 V HN 0.572 nan 8.190 nan 0.000 0.451 148 G N -0.657 108.148 108.800 0.009 0.000 2.442 148 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 148 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 148 G C 1.701 176.606 174.900 0.008 0.000 1.141 148 G CA 1.591 46.697 45.100 0.010 0.000 0.763 148 G HN 0.465 nan 8.290 nan 0.000 0.554 149 T N 1.161 115.719 114.554 0.005 0.000 2.737 149 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 149 T C 2.405 177.106 174.700 0.002 0.000 1.038 149 T CA 0.943 63.045 62.100 0.003 0.000 1.144 149 T CB -0.160 68.709 68.868 0.002 0.000 0.866 149 T HN 0.235 nan 8.240 nan 0.000 0.434 150 I N 1.456 122.027 120.570 0.003 0.000 2.286 150 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 150 I C 2.333 178.452 176.117 0.003 0.000 1.115 150 I CA 1.033 62.333 61.300 0.001 0.000 1.392 150 I CB -0.260 37.741 38.000 0.001 0.000 1.065 150 I HN 0.191 nan 8.210 nan 0.000 0.418 151 S N 0.637 116.342 115.700 0.008 0.000 2.555 151 S HA 0.102 4.572 4.470 -0.000 0.000 0.230 151 S C 1.497 176.102 174.600 0.009 0.000 0.978 151 S CA 0.717 58.925 58.200 0.012 0.000 0.934 151 S CB -0.036 63.177 63.200 0.022 0.000 0.766 151 S HN 0.481 nan 8.310 nan 0.000 0.533 152 A N 1.505 124.329 122.820 0.006 0.000 2.574 152 A HA 0.499 4.819 4.320 -0.000 0.000 0.283 152 A C 0.645 178.229 177.584 -0.001 0.000 1.270 152 A CA -0.401 51.638 52.037 0.003 0.000 0.945 152 A CB -0.508 18.495 19.000 0.005 0.000 1.127 152 A HN 0.337 nan 8.150 nan 0.000 0.522 153 N N -0.367 118.332 118.700 -0.003 0.000 2.780 153 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 153 N C 0.162 175.668 175.510 -0.006 0.000 1.102 153 N CA 1.135 54.182 53.050 -0.006 0.000 0.697 153 N CB -1.942 36.541 38.487 -0.007 0.000 1.028 153 N HN 0.562 nan 8.380 nan 0.000 0.554 154 S N -1.727 113.970 115.700 -0.005 0.000 3.593 154 S HA -0.220 4.250 4.470 -0.000 0.000 0.301 154 S C -0.415 174.183 174.600 -0.003 0.000 1.209 154 S CA 0.755 58.953 58.200 -0.005 0.000 0.878 154 S CB -1.126 62.069 63.200 -0.007 0.000 1.000 154 S HN 0.724 nan 8.310 nan 0.000 0.578 155 D N 1.408 121.807 120.400 -0.002 0.000 2.441 155 D HA 0.281 4.921 4.640 -0.000 0.000 0.221 155 D C 1.075 177.375 176.300 -0.000 0.000 1.156 155 D CA -0.250 53.750 54.000 -0.001 0.000 0.896 155 D CB 0.479 41.279 40.800 -0.001 0.000 1.028 155 D HN 0.450 nan 8.370 nan 0.000 0.509 156 E N 1.181 121.381 120.200 -0.000 0.000 2.204 156 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 156 E C 1.387 177.987 176.600 0.001 0.000 0.990 156 E CA 0.887 57.288 56.400 0.000 0.000 0.821 156 E CB 0.328 30.027 29.700 -0.000 0.000 0.750 156 E HN 0.484 nan 8.360 nan 0.000 0.477 157 T N 0.814 115.368 114.554 0.001 0.000 2.635 157 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 157 T C 2.080 176.781 174.700 0.002 0.000 1.040 157 T CA 1.435 63.535 62.100 0.001 0.000 1.156 157 T CB -0.263 68.605 68.868 0.000 0.000 0.863 157 T HN 0.014 nan 8.240 nan 0.000 0.430 158 V N 1.269 121.184 119.914 0.002 0.000 2.427 158 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 158 V C 2.846 178.943 176.094 0.005 0.000 1.051 158 V CA 1.806 64.108 62.300 0.004 0.000 1.048 158 V CB -1.419 30.407 31.823 0.005 0.000 0.666 158 V HN 0.610 nan 8.190 nan 0.000 0.456 159 G N -0.309 108.494 108.800 0.004 0.000 2.446 159 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.217 159 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.217 159 G C 1.650 176.552 174.900 0.003 0.000 1.168 159 G CA 1.111 46.213 45.100 0.004 0.000 0.771 159 G HN 0.464 nan 8.290 nan 0.000 0.551 160 K N -0.063 120.339 120.400 0.003 0.000 2.063 160 K HA 0.021 4.341 4.320 -0.000 0.000 0.208 160 K C 2.568 179.170 176.600 0.002 0.000 1.048 160 K CA 0.910 57.199 56.287 0.002 0.000 0.928 160 K CB -0.296 32.205 32.500 0.001 0.000 0.713 160 K HN 0.336 nan 8.250 nan 0.000 0.442 161 L N 0.781 122.006 121.223 0.003 0.000 2.012 161 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 161 L C 2.424 179.296 176.870 0.003 0.000 1.073 161 L CA 1.346 56.188 54.840 0.003 0.000 0.748 161 L CB -0.297 41.764 42.059 0.003 0.000 0.891 161 L HN 0.246 nan 8.230 nan 0.000 0.431 162 I N -0.590 119.983 120.570 0.004 0.000 2.315 162 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 162 I C 2.684 178.802 176.117 0.002 0.000 1.117 162 I CA 1.096 62.398 61.300 0.004 0.000 1.404 162 I CB -0.397 37.607 38.000 0.006 0.000 1.071 162 I HN 0.199 nan 8.210 nan 0.000 0.419 163 A N 0.301 123.123 122.820 0.002 0.000 1.930 163 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 163 A C 2.214 179.799 177.584 0.001 0.000 1.175 163 A CA 1.472 53.510 52.037 0.001 0.000 0.627 163 A CB -0.471 18.530 19.000 0.002 0.000 0.815 163 A HN 0.428 nan 8.150 nan 0.000 0.443 164 E N -0.177 120.024 120.200 0.001 0.000 2.072 164 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 164 E C 2.335 178.935 176.600 0.001 0.000 0.985 164 E CA 0.873 57.273 56.400 0.001 0.000 0.801 164 E CB -0.281 29.420 29.700 0.001 0.000 0.750 164 E HN 0.610 nan 8.360 nan 0.000 0.452 165 A N 1.164 123.984 122.820 0.001 0.000 1.902 165 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 165 A C 2.147 179.731 177.584 -0.000 0.000 1.181 165 A CA 1.432 53.469 52.037 0.000 0.000 0.623 165 A CB -0.423 18.578 19.000 0.001 0.000 0.818 165 A HN 0.147 nan 8.150 nan 0.000 0.443 166 M N -1.265 118.335 119.600 -0.001 0.000 2.319 166 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 166 M C 1.687 177.987 176.300 -0.001 0.000 1.068 166 M CA 1.566 56.865 55.300 -0.002 0.000 1.118 166 M CB -0.364 32.234 32.600 -0.003 0.000 1.395 166 M HN 0.474 nan 8.290 nan 0.000 0.435 167 D N 0.566 120.965 120.400 -0.001 0.000 2.183 167 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 167 D C 2.041 178.341 176.300 -0.000 0.000 0.969 167 D CA 1.062 55.062 54.000 -0.000 0.000 0.842 167 D CB 0.335 41.135 40.800 0.000 0.000 0.957 167 D HN 0.005 nan 8.370 nan 0.000 0.484 168 K N -0.111 120.289 120.400 -0.000 0.000 2.007 168 K HA -0.030 4.290 4.320 -0.000 0.000 0.206 168 K C 2.007 178.607 176.600 0.000 0.000 1.047 168 K CA 1.270 57.557 56.287 0.000 0.000 0.937 168 K CB -0.390 32.110 32.500 0.000 0.000 0.718 168 K HN 0.290 nan 8.250 nan 0.000 0.438 169 V N -2.987 116.927 119.914 0.000 0.000 3.578 169 V HA 0.388 4.508 4.120 -0.000 0.000 0.290 169 V C 0.587 176.681 176.094 -0.000 0.000 1.376 169 V CA 0.214 62.514 62.300 0.000 0.000 1.083 169 V CB -0.320 31.503 31.823 0.001 0.000 0.911 169 V HN 0.360 nan 8.190 nan 0.000 0.433 170 G N 2.085 110.884 108.800 -0.001 0.000 2.690 170 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 170 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 170 G C 0.144 175.042 174.900 -0.003 0.000 1.277 170 G CA -0.106 44.993 45.100 -0.002 0.000 0.799 170 G HN 0.689 nan 8.290 nan 0.000 0.613 171 K N -0.337 120.060 120.400 -0.004 0.000 2.439 171 K HA 0.057 4.377 4.320 -0.000 0.000 0.197 171 K C 0.879 177.473 176.600 -0.010 0.000 1.041 171 K CA 1.551 57.834 56.287 -0.007 0.000 0.970 171 K CB 0.340 32.837 32.500 -0.006 0.000 0.773 171 K HN 0.464 nan 8.250 nan 0.000 0.479 172 E N 1.423 121.619 120.200 -0.007 0.000 2.501 172 E HA 0.108 4.458 4.350 -0.000 0.000 0.200 172 E C 0.535 177.132 176.600 -0.006 0.000 1.016 172 E CA -0.050 56.345 56.400 -0.008 0.000 0.921 172 E CB 1.015 30.712 29.700 -0.005 0.000 1.034 172 E HN 0.402 nan 8.360 nan 0.000 0.468 173 G N 0.730 109.527 108.800 -0.005 0.000 2.528 173 G HA2 0.339 4.299 3.960 -0.000 0.000 0.289 173 G HA3 0.339 4.299 3.960 -0.000 0.000 0.289 173 G C 0.064 174.962 174.900 -0.004 0.000 1.192 173 G CA -0.490 44.609 45.100 -0.002 0.000 0.921 173 G HN -0.047 nan 8.290 nan 0.000 0.512 174 V N 0.736 120.650 119.914 -0.000 0.000 2.488 174 V HA 0.330 4.450 4.120 -0.000 0.000 0.277 174 V C 0.188 176.280 176.094 -0.003 0.000 1.046 174 V CA 0.150 62.448 62.300 -0.003 0.000 0.986 174 V CB 0.455 32.278 31.823 0.001 0.000 0.989 174 V HN 0.423 nan 8.190 nan 0.000 0.475 175 I N 4.164 124.731 120.570 -0.005 0.000 2.533 175 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 175 I C -0.051 176.066 176.117 0.001 0.000 1.056 175 I CA -0.187 61.112 61.300 -0.002 0.000 1.057 175 I CB 2.418 40.417 38.000 -0.001 0.000 1.240 175 I HN 0.574 nan 8.210 nan 0.000 0.423 176 T N 4.545 119.100 114.554 0.002 0.000 2.930 176 T HA 0.664 5.014 4.350 -0.000 0.000 0.290 176 T C -0.522 174.181 174.700 0.005 0.000 1.052 176 T CA -0.729 61.373 62.100 0.003 0.000 1.017 176 T CB 2.498 71.366 68.868 -0.000 0.000 1.137 176 T HN 0.446 nan 8.240 nan 0.000 0.511 177 V N -0.860 119.057 119.914 0.006 0.000 2.656 177 V HA 0.818 4.938 4.120 -0.000 0.000 0.307 177 V C -0.963 175.133 176.094 0.003 0.000 1.051 177 V CA -0.783 61.520 62.300 0.005 0.000 0.893 177 V CB 1.705 33.533 31.823 0.008 0.000 0.999 177 V HN 0.937 nan 8.190 nan 0.000 0.426 178 E N 1.850 122.050 120.200 0.001 0.000 2.378 178 E HA 0.432 4.782 4.350 -0.000 0.000 0.265 178 E C -1.495 175.104 176.600 -0.002 0.000 0.932 178 E CA -1.086 55.313 56.400 -0.001 0.000 0.795 178 E CB 1.649 31.347 29.700 -0.003 0.000 1.296 178 E HN 0.790 nan 8.360 nan 0.000 0.438 179 D N 1.069 121.467 120.400 -0.003 0.000 2.472 179 D HA 0.127 4.767 4.640 -0.000 0.000 0.237 179 D C 0.243 176.541 176.300 -0.003 0.000 1.141 179 D CA 0.410 54.408 54.000 -0.003 0.000 0.875 179 D CB 0.714 41.511 40.800 -0.004 0.000 1.192 179 D HN 0.496 nan 8.370 nan 0.000 0.450 180 G N -0.048 108.750 108.800 -0.003 0.000 2.599 180 G HA2 0.276 4.236 3.960 -0.000 0.000 0.264 180 G HA3 0.276 4.236 3.960 -0.000 0.000 0.264 180 G C 1.062 175.959 174.900 -0.004 0.000 1.200 180 G CA -0.057 45.041 45.100 -0.003 0.000 0.896 180 G HN 0.474 nan 8.290 nan 0.000 0.536 181 T N -2.734 111.818 114.554 -0.004 0.000 3.051 181 T HA 0.448 4.798 4.350 -0.000 0.000 0.255 181 T C 1.145 175.843 174.700 -0.003 0.000 1.085 181 T CA 1.009 63.106 62.100 -0.004 0.000 1.109 181 T CB 0.268 69.134 68.868 -0.004 0.000 0.921 181 T HN 1.068 nan 8.240 nan 0.000 0.488 182 G N 0.371 109.169 108.800 -0.003 0.000 2.894 182 G HA2 0.450 4.410 3.960 -0.000 0.000 0.164 182 G HA3 0.450 4.410 3.960 -0.000 0.000 0.164 182 G C -0.078 174.821 174.900 -0.002 0.000 1.180 182 G CA 0.026 45.124 45.100 -0.003 0.000 0.997 182 G HN 0.102 nan 8.290 nan 0.000 0.572 183 L N 0.127 121.349 121.223 -0.002 0.000 2.162 183 L HA 0.358 4.698 4.340 -0.000 0.000 0.205 183 L C 0.817 177.686 176.870 -0.002 0.000 1.086 183 L CA 1.236 56.075 54.840 -0.002 0.000 0.778 183 L CB -0.412 41.646 42.059 -0.002 0.000 0.928 183 L HN 0.497 nan 8.230 nan 0.000 0.446 184 Q N 0.314 120.113 119.800 -0.002 0.000 2.205 184 Q HA 0.189 4.529 4.340 -0.000 0.000 0.249 184 Q C -0.848 175.151 176.000 -0.001 0.000 0.948 184 Q CA -0.899 54.904 55.803 -0.001 0.000 0.895 184 Q CB 1.409 30.146 28.738 -0.001 0.000 1.249 184 Q HN 0.127 nan 8.270 nan 0.000 0.458 185 D N 1.755 122.155 120.400 -0.001 0.000 2.372 185 D HA 0.109 4.749 4.640 -0.000 0.000 0.243 185 D C -0.570 175.730 176.300 -0.001 0.000 1.121 185 D CA 0.413 54.412 54.000 -0.001 0.000 0.898 185 D CB 0.797 41.597 40.800 0.000 0.000 1.202 185 D HN 0.345 nan 8.370 nan 0.000 0.428 186 E N 0.148 120.348 120.200 -0.001 0.000 2.293 186 E HA 0.520 4.870 4.350 -0.000 0.000 0.270 186 E C -1.074 175.526 176.600 -0.000 0.000 0.879 186 E CA -0.945 55.455 56.400 -0.001 0.000 0.756 186 E CB 2.487 32.186 29.700 -0.001 0.000 1.208 186 E HN 0.067 nan 8.360 nan 0.000 0.428 187 L N 3.600 124.822 121.223 -0.000 0.000 2.406 187 L HA 0.417 4.757 4.340 -0.000 0.000 0.270 187 L C -1.823 175.047 176.870 -0.000 0.000 0.982 187 L CA -0.325 54.515 54.840 -0.000 0.000 0.843 187 L CB 1.021 43.080 42.059 0.000 0.000 1.225 187 L HN 0.500 nan 8.230 nan 0.000 0.412 188 D N 3.811 124.210 120.400 -0.000 0.000 2.523 188 D HA 0.506 5.146 4.640 -0.000 0.000 0.236 188 D C -1.024 175.276 176.300 -0.000 0.000 1.094 188 D CA -0.567 53.433 54.000 -0.000 0.000 0.942 188 D CB 2.293 43.092 40.800 -0.001 0.000 1.447 188 D HN 0.194 nan 8.370 nan 0.000 0.479 189 V N 0.730 120.645 119.914 0.000 0.000 2.357 189 V HA 0.425 4.545 4.120 -0.000 0.000 0.284 189 V C 0.484 176.578 176.094 0.001 0.000 1.018 189 V CA -0.739 61.562 62.300 0.001 0.000 0.841 189 V CB 1.106 32.930 31.823 0.001 0.000 0.991 189 V HN 0.603 nan 8.190 nan 0.000 0.437 190 V N 1.782 121.697 119.914 0.002 0.000 3.096 190 V HA 0.698 4.818 4.120 -0.000 0.000 0.319 190 V C -0.008 176.090 176.094 0.005 0.000 1.103 190 V CA -0.953 61.349 62.300 0.003 0.000 1.016 190 V CB 1.901 33.724 31.823 0.001 0.000 1.090 190 V HN 0.660 nan 8.190 nan 0.000 0.449 191 E N 1.360 121.564 120.200 0.006 0.000 2.366 191 E HA 0.603 4.953 4.350 -0.000 0.000 0.266 191 E C 0.287 176.896 176.600 0.015 0.000 1.015 191 E CA 1.053 57.459 56.400 0.010 0.000 0.906 191 E CB 0.798 30.504 29.700 0.010 0.000 0.979 191 E HN 1.242 nan 8.360 nan 0.000 0.443 192 G N 1.302 110.114 108.800 0.021 0.000 2.342 192 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 192 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 192 G C -1.325 173.599 174.900 0.040 0.000 1.313 192 G CA -0.723 44.395 45.100 0.030 0.000 0.830 192 G HN 0.397 nan 8.290 nan 0.000 0.506 193 M N -0.034 119.600 119.600 0.056 0.000 2.605 193 M HA 0.494 4.974 4.480 -0.000 0.000 0.281 193 M C -2.032 174.322 176.300 0.090 0.000 1.166 193 M CA -0.594 54.756 55.300 0.084 0.000 0.875 193 M CB 2.512 35.185 32.600 0.122 0.000 1.732 193 M HN 0.751 nan 8.290 nan 0.000 0.504 194 Q N 3.415 123.268 119.800 0.088 0.000 2.356 194 Q HA 0.731 5.071 4.340 -0.000 0.000 0.270 194 Q C -2.078 173.994 176.000 0.120 0.000 1.058 194 Q CA -0.650 55.168 55.803 0.025 0.000 0.802 194 Q CB 1.998 30.725 28.738 -0.018 0.000 1.303 194 Q HN 0.560 nan 8.270 nan 0.000 0.444 195 F N -0.072 119.881 119.950 0.005 0.000 2.603 195 F HA 0.504 5.031 4.527 -0.000 0.000 0.317 195 F C -0.469 175.334 175.800 0.005 0.000 1.066 195 F CA -1.176 56.828 58.000 0.006 0.000 0.941 195 F CB 1.187 40.193 39.000 0.009 0.000 1.291 195 F HN 0.338 nan 8.300 nan 0.000 0.472 196 D N 2.955 123.480 120.400 0.208 0.000 2.885 196 D HA 0.130 4.770 4.640 -0.000 0.000 0.234 196 D C -0.289 176.078 176.300 0.112 0.000 1.129 196 D CA 0.328 54.383 54.000 0.092 0.000 0.991 196 D CB -0.111 40.743 40.800 0.090 0.000 1.137 196 D HN 0.284 nan 8.370 nan 0.000 0.459 197 R N 0.074 120.603 120.500 0.050 0.000 2.574 197 R HA 0.524 4.864 4.340 -0.000 0.000 0.288 197 R C 0.322 176.570 176.300 -0.086 0.000 1.004 197 R CA -0.706 55.430 56.100 0.060 0.000 0.895 197 R CB 2.154 32.624 30.300 0.283 0.000 1.191 197 R HN 0.131 nan 8.270 nan 0.000 0.444 198 G N 1.069 109.805 108.800 -0.108 0.000 2.642 198 G HA2 0.440 4.400 3.960 -0.000 0.000 0.291 198 G HA3 0.440 4.400 3.960 -0.000 0.000 0.291 198 G C -0.582 174.249 174.900 -0.114 0.000 1.345 198 G CA -0.558 44.405 45.100 -0.229 0.000 1.043 198 G HN 0.448 nan 8.290 nan 0.000 0.528 199 Y N -1.495 118.851 120.300 0.077 0.000 2.511 199 Y HA 0.360 4.910 4.550 -0.000 0.000 0.347 199 Y C 1.165 177.172 175.900 0.180 0.000 1.257 199 Y CA -0.834 57.370 58.100 0.173 0.000 1.469 199 Y CB 0.421 39.023 38.460 0.236 0.000 1.353 199 Y HN 0.162 nan 8.280 nan 0.000 0.617 200 L N 1.290 122.822 121.223 0.515 0.000 2.529 200 L HA 0.169 4.509 4.340 -0.000 0.000 0.223 200 L C 0.365 177.385 176.870 0.250 0.000 1.113 200 L CA 0.563 55.606 54.840 0.339 0.000 0.861 200 L CB -0.088 42.160 42.059 0.315 0.000 1.012 200 L HN 0.817 nan 8.230 nan 0.000 0.461 201 S N -2.697 113.121 115.700 0.198 0.000 2.536 201 S HA 0.423 4.893 4.470 -0.000 0.000 0.271 201 S C -2.464 171.970 174.600 -0.277 0.000 1.134 201 S CA -1.119 57.026 58.200 -0.093 0.000 0.897 201 S CB 1.896 64.913 63.200 -0.305 0.000 1.094 201 S HN -0.271 nan 8.310 nan 0.000 0.473 202 P HA -0.040 nan 4.420 nan 0.000 0.221 202 P C 0.578 177.501 177.300 -0.628 0.000 1.145 202 P CA 0.978 63.682 63.100 -0.660 0.000 0.795 202 P CB -0.226 31.188 31.700 -0.478 0.000 0.775 203 Y N -2.066 117.987 120.300 -0.411 0.000 2.333 203 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 203 Y C 1.902 177.646 175.900 -0.260 0.000 1.144 203 Y CA 0.796 58.694 58.100 -0.337 0.000 1.228 203 Y CB -1.420 36.833 38.460 -0.346 0.000 0.985 203 Y HN -0.065 nan 8.280 nan 0.000 0.542 204 F N -0.149 119.772 119.950 -0.048 0.000 2.451 204 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 204 F C 1.035 176.767 175.800 -0.114 0.000 1.101 204 F CA -0.362 57.603 58.000 -0.058 0.000 1.436 204 F CB -1.197 37.781 39.000 -0.035 0.000 1.074 204 F HN -0.138 nan 8.300 nan 0.000 0.553 205 I N 2.557 123.076 120.570 -0.085 0.000 2.752 205 I HA -0.183 3.987 4.170 -0.000 0.000 0.286 205 I C 1.002 177.110 176.117 -0.016 0.000 1.180 205 I CA 0.284 61.521 61.300 -0.106 0.000 1.404 205 I CB 0.131 38.000 38.000 -0.219 0.000 1.389 205 I HN 0.167 nan 8.210 nan 0.000 0.549 206 N N 5.451 124.157 118.700 0.011 0.000 2.282 206 N HA 0.009 4.749 4.740 -0.000 0.000 0.185 206 N C 0.068 175.582 175.510 0.006 0.000 1.099 206 N CA 0.140 53.200 53.050 0.017 0.000 0.878 206 N CB 0.334 38.837 38.487 0.027 0.000 0.993 206 N HN 0.417 nan 8.380 nan 0.000 0.481 207 K N 1.294 121.695 120.400 0.001 0.000 2.682 207 K HA 0.272 4.592 4.320 -0.000 0.000 0.189 207 K C -2.018 174.578 176.600 -0.006 0.000 1.062 207 K CA -1.765 54.522 56.287 -0.000 0.000 0.997 207 K CB 1.723 34.227 32.500 0.006 0.000 1.405 207 K HN 0.023 nan 8.250 nan 0.000 0.588 208 P HA -0.174 nan 4.420 nan 0.000 0.224 208 P C 0.245 177.537 177.300 -0.013 0.000 1.142 208 P CA 1.160 64.249 63.100 -0.019 0.000 0.778 208 P CB 0.437 32.126 31.700 -0.019 0.000 0.764 209 E N -0.635 119.559 120.200 -0.009 0.000 2.107 209 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 209 E C 1.612 178.205 176.600 -0.010 0.000 0.982 209 E CA 1.385 57.779 56.400 -0.010 0.000 0.809 209 E CB -0.918 28.777 29.700 -0.009 0.000 0.756 209 E HN 0.219 nan 8.360 nan 0.000 0.459 210 T N -0.949 113.604 114.554 -0.002 0.000 3.086 210 T HA 0.225 4.575 4.350 -0.000 0.000 0.250 210 T C 1.135 175.847 174.700 0.020 0.000 1.074 210 T CA 0.362 62.465 62.100 0.004 0.000 0.988 210 T CB 0.480 69.356 68.868 0.013 0.000 0.988 210 T HN 0.346 nan 8.240 nan 0.000 0.530 211 G N 1.805 110.614 108.800 0.015 0.000 2.305 211 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.287 211 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.287 211 G C 0.112 175.061 174.900 0.082 0.000 1.036 211 G CA 0.173 45.290 45.100 0.029 0.000 0.887 211 G HN 0.902 nan 8.290 nan 0.000 0.505 212 A N -1.424 121.431 122.820 0.058 0.000 2.386 212 A HA 0.925 5.245 4.320 -0.000 0.000 0.308 212 A C -0.218 177.401 177.584 0.058 0.000 1.128 212 A CA -0.342 51.753 52.037 0.097 0.000 0.789 212 A CB 2.098 21.141 19.000 0.071 0.000 1.325 212 A HN 1.163 nan 8.150 nan 0.000 0.437 213 V N 0.965 120.934 119.914 0.093 0.000 2.417 213 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 213 V C -0.126 175.994 176.094 0.043 0.000 1.024 213 V CA -0.374 61.965 62.300 0.066 0.000 0.861 213 V CB 1.263 33.148 31.823 0.104 0.000 0.985 213 V HN 0.916 nan 8.190 nan 0.000 0.436 214 E N 4.297 124.511 120.200 0.024 0.000 2.224 214 E HA 0.673 5.023 4.350 -0.000 0.000 0.265 214 E C -1.761 174.839 176.600 -0.001 0.000 0.878 214 E CA -0.596 55.809 56.400 0.009 0.000 0.759 214 E CB 1.837 31.541 29.700 0.007 0.000 1.164 214 E HN 0.603 nan 8.360 nan 0.000 0.414 215 L N 3.262 124.479 121.223 -0.010 0.000 2.385 215 L HA 0.486 4.826 4.340 -0.000 0.000 0.273 215 L C -0.501 176.351 176.870 -0.030 0.000 0.990 215 L CA -0.759 54.069 54.840 -0.020 0.000 0.821 215 L CB 2.083 44.126 42.059 -0.026 0.000 1.279 215 L HN 0.454 nan 8.230 nan 0.000 0.412 216 E N 1.489 121.667 120.200 -0.038 0.000 2.151 216 E HA 0.324 4.674 4.350 -0.000 0.000 0.275 216 E C -0.378 176.175 176.600 -0.079 0.000 0.936 216 E CA -0.558 55.813 56.400 -0.048 0.000 0.777 216 E CB 1.615 31.292 29.700 -0.038 0.000 1.108 216 E HN 0.605 nan 8.360 nan 0.000 0.401 217 S N 2.050 117.694 115.700 -0.094 0.000 3.550 217 S HA -0.125 4.345 4.470 -0.000 0.000 0.372 217 S C -2.229 172.227 174.600 -0.239 0.000 0.966 217 S CA 0.281 58.389 58.200 -0.153 0.000 1.229 217 S CB -1.353 61.756 63.200 -0.151 0.000 0.917 217 S HN 0.474 nan 8.310 nan 0.000 0.496 218 P HA 0.558 nan 4.420 nan 0.000 0.282 218 P C -0.054 177.117 177.300 -0.216 0.000 1.259 218 P CA -0.737 62.258 63.100 -0.175 0.000 0.826 218 P CB 0.517 32.181 31.700 -0.061 0.000 1.064 219 F N 0.698 120.645 119.950 -0.005 0.000 2.389 219 F HA 0.334 4.861 4.527 -0.000 0.000 0.337 219 F C 0.984 176.783 175.800 -0.002 0.000 1.112 219 F CA 0.040 58.039 58.000 -0.002 0.000 1.192 219 F CB 0.241 39.239 39.000 -0.004 0.000 1.185 219 F HN 0.052 nan 8.300 nan 0.000 0.552 220 I N 4.254 124.959 120.570 0.225 0.000 2.411 220 I HA 0.203 4.373 4.170 -0.000 0.000 0.284 220 I C -1.017 175.157 176.117 0.095 0.000 1.012 220 I CA -0.792 60.583 61.300 0.125 0.000 1.119 220 I CB 1.434 39.492 38.000 0.097 0.000 1.261 220 I HN 0.277 nan 8.210 nan 0.000 0.448 221 L N 8.334 129.597 121.223 0.067 0.000 2.319 221 L HA 0.391 4.731 4.340 -0.000 0.000 0.280 221 L C -0.789 176.098 176.870 0.029 0.000 1.099 221 L CA 0.280 55.141 54.840 0.034 0.000 0.828 221 L CB 0.468 42.539 42.059 0.020 0.000 1.150 221 L HN 0.465 nan 8.230 nan 0.000 0.442 222 L N 6.769 128.002 121.223 0.017 0.000 2.356 222 L HA 0.629 4.969 4.340 -0.000 0.000 0.264 222 L C -0.058 176.811 176.870 -0.001 0.000 1.029 222 L CA -0.314 54.529 54.840 0.006 0.000 0.897 222 L CB 0.980 43.038 42.059 -0.002 0.000 1.256 222 L HN 0.779 nan 8.230 nan 0.000 0.444 223 A N 1.150 123.972 122.820 0.003 0.000 2.271 223 A HA 0.400 4.719 4.320 -0.000 0.000 0.317 223 A C -0.300 177.284 177.584 0.001 0.000 1.245 223 A CA -0.458 51.581 52.037 0.002 0.000 0.857 223 A CB 0.683 19.688 19.000 0.009 0.000 1.175 223 A HN 0.631 nan 8.150 nan 0.000 0.512 224 D N 2.316 122.714 120.400 -0.004 0.000 2.896 224 D HA 0.372 5.012 4.640 -0.000 0.000 0.240 224 D C 0.001 176.303 176.300 0.003 0.000 1.193 224 D CA 0.186 54.183 54.000 -0.005 0.000 0.983 224 D CB -0.580 40.213 40.800 -0.012 0.000 1.074 224 D HN 0.638 nan 8.370 nan 0.000 0.496 225 K N -1.046 119.360 120.400 0.011 0.000 2.772 225 K HA 0.287 4.606 4.320 -0.000 0.000 0.292 225 K C -1.274 175.340 176.600 0.024 0.000 1.049 225 K CA -1.162 55.135 56.287 0.016 0.000 0.846 225 K CB 0.640 33.148 32.500 0.013 0.000 1.514 225 K HN -0.201 nan 8.250 nan 0.000 0.373 226 K N 1.195 121.611 120.400 0.027 0.000 2.276 226 K HA 0.354 4.674 4.320 -0.000 0.000 0.283 226 K C -0.565 176.054 176.600 0.031 0.000 1.044 226 K CA -0.374 55.933 56.287 0.033 0.000 0.944 226 K CB 0.640 33.160 32.500 0.034 0.000 1.012 226 K HN 0.370 nan 8.250 nan 0.000 0.472 227 I N 2.603 123.196 120.570 0.038 0.000 2.306 227 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 227 I C 0.563 176.704 176.117 0.040 0.000 1.036 227 I CA 0.039 61.361 61.300 0.036 0.000 1.221 227 I CB 1.516 39.539 38.000 0.039 0.000 1.385 227 I HN 0.666 nan 8.210 nan 0.000 0.472 228 S N 3.542 119.262 115.700 0.033 0.000 2.545 228 S HA 0.186 4.656 4.470 -0.000 0.000 0.232 228 S C 0.698 175.316 174.600 0.029 0.000 1.070 228 S CA -0.044 58.175 58.200 0.032 0.000 0.923 228 S CB 0.218 63.434 63.200 0.027 0.000 0.806 228 S HN 0.589 nan 8.310 nan 0.000 0.506 229 N N 1.796 120.510 118.700 0.024 0.000 2.479 229 N HA 0.289 5.029 4.740 -0.000 0.000 0.285 229 N C 0.531 176.055 175.510 0.022 0.000 1.075 229 N CA -0.145 52.917 53.050 0.021 0.000 0.967 229 N CB 1.727 40.223 38.487 0.016 0.000 1.137 229 N HN 0.108 nan 8.380 nan 0.000 0.472 230 I N 2.474 123.057 120.570 0.022 0.000 2.315 230 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 230 I C 2.034 178.160 176.117 0.015 0.000 1.117 230 I CA 1.072 62.385 61.300 0.022 0.000 1.404 230 I CB 0.168 38.181 38.000 0.022 0.000 1.071 230 I HN 0.501 nan 8.210 nan 0.000 0.419 231 R N 0.972 121.479 120.500 0.012 0.000 2.159 231 R HA -0.285 4.055 4.340 -0.000 0.000 0.249 231 R C 2.024 178.327 176.300 0.005 0.000 1.136 231 R CA 2.690 58.795 56.100 0.007 0.000 0.951 231 R CB -0.483 29.821 30.300 0.007 0.000 0.876 231 R HN 0.559 nan 8.270 nan 0.000 0.440 232 E N -0.473 119.731 120.200 0.007 0.000 2.118 232 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 232 E C 1.957 178.559 176.600 0.002 0.000 0.992 232 E CA 1.111 57.513 56.400 0.004 0.000 0.804 232 E CB -0.072 29.632 29.700 0.007 0.000 0.741 232 E HN 0.298 nan 8.360 nan 0.000 0.458 233 M N 0.347 119.951 119.600 0.006 0.000 2.236 233 M HA -0.012 4.468 4.480 -0.000 0.000 0.266 233 M C 2.356 178.656 176.300 -0.001 0.000 1.070 233 M CA 0.909 56.212 55.300 0.004 0.000 1.137 233 M CB -0.795 31.813 32.600 0.014 0.000 1.378 233 M HN 0.141 nan 8.290 nan 0.000 0.426 234 L N 0.642 121.866 121.223 0.002 0.000 2.040 234 L HA -0.288 4.052 4.340 -0.000 0.000 0.228 234 L C -0.290 176.575 176.870 -0.008 0.000 1.092 234 L CA 2.193 57.033 54.840 -0.001 0.000 0.805 234 L CB -2.643 39.416 42.059 0.000 0.000 0.905 234 L HN 0.192 nan 8.230 nan 0.000 0.443 235 P HA -0.120 nan 4.420 nan 0.000 0.216 235 P C 1.840 179.120 177.300 -0.033 0.000 1.150 235 P CA 1.485 64.573 63.100 -0.021 0.000 0.837 235 P CB -0.004 31.683 31.700 -0.021 0.000 0.786 236 V N 0.046 119.940 119.914 -0.035 0.000 2.453 236 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 236 V C 2.807 178.872 176.094 -0.048 0.000 1.048 236 V CA 1.259 63.527 62.300 -0.053 0.000 1.049 236 V CB -1.143 30.652 31.823 -0.048 0.000 0.672 236 V HN 0.001 nan 8.190 nan 0.000 0.457 237 L N -0.176 121.034 121.223 -0.022 0.000 2.046 237 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 237 L C 2.582 179.449 176.870 -0.006 0.000 1.077 237 L CA 1.733 56.569 54.840 -0.007 0.000 0.747 237 L CB -0.547 41.514 42.059 0.005 0.000 0.896 237 L HN 0.388 nan 8.230 nan 0.000 0.432 238 E N 0.083 120.276 120.200 -0.012 0.000 2.107 238 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 238 E C 2.292 178.881 176.600 -0.018 0.000 0.982 238 E CA 0.966 57.361 56.400 -0.009 0.000 0.809 238 E CB -0.150 29.544 29.700 -0.009 0.000 0.756 238 E HN 0.473 nan 8.360 nan 0.000 0.459 239 A N 0.988 123.784 122.820 -0.041 0.000 1.933 239 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 239 A C 2.462 180.001 177.584 -0.076 0.000 1.175 239 A CA 1.118 53.114 52.037 -0.069 0.000 0.628 239 A CB -0.512 18.423 19.000 -0.109 0.000 0.814 239 A HN 0.118 nan 8.150 nan 0.000 0.444 240 V N -0.284 119.592 119.914 -0.063 0.000 2.379 240 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 240 V C 3.035 179.178 176.094 0.082 0.000 1.044 240 V CA 1.605 63.913 62.300 0.013 0.000 1.036 240 V CB -1.247 30.605 31.823 0.049 0.000 0.664 240 V HN 0.599 nan 8.190 nan 0.000 0.453 241 A N -0.236 122.610 122.820 0.043 0.000 1.917 241 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 241 A C 2.331 179.942 177.584 0.044 0.000 1.182 241 A CA 2.325 54.387 52.037 0.042 0.000 0.633 241 A CB -0.499 18.515 19.000 0.024 0.000 0.819 241 A HN 0.514 nan 8.150 nan 0.000 0.448 242 K N -0.819 119.601 120.400 0.034 0.000 2.057 242 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 242 K C 2.121 178.755 176.600 0.056 0.000 1.049 242 K CA 1.060 57.367 56.287 0.033 0.000 0.931 242 K CB -0.272 32.237 32.500 0.015 0.000 0.714 242 K HN 0.446 nan 8.250 nan 0.000 0.440 243 A N 0.308 123.185 122.820 0.095 0.000 2.216 243 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 243 A C 1.323 178.982 177.584 0.124 0.000 1.160 243 A CA 1.110 53.237 52.037 0.150 0.000 0.725 243 A CB -0.559 18.632 19.000 0.318 0.000 0.784 243 A HN 0.481 nan 8.150 nan 0.000 0.472 244 G N -0.832 108.027 108.800 0.097 0.000 2.198 244 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.260 244 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.260 244 G C 0.110 175.040 174.900 0.050 0.000 1.025 244 G CA 0.883 46.020 45.100 0.061 0.000 0.769 244 G HN 0.626 nan 8.290 nan 0.000 0.507 245 K N 0.294 120.747 120.400 0.089 0.000 2.281 245 K HA 0.617 4.937 4.320 -0.000 0.000 0.242 245 K C -2.353 174.284 176.600 0.061 0.000 0.971 245 K CA -2.046 54.253 56.287 0.019 0.000 0.834 245 K CB 2.408 34.820 32.500 -0.147 0.000 1.181 245 K HN 0.047 nan 8.250 nan 0.000 0.435 246 P HA 0.217 nan 4.420 nan 0.000 0.279 246 P C -1.356 175.979 177.300 0.057 0.000 1.252 246 P CA -0.638 62.476 63.100 0.024 0.000 0.811 246 P CB 0.750 32.444 31.700 -0.010 0.000 1.035 247 L N 2.331 123.585 121.223 0.051 0.000 2.356 247 L HA 0.500 4.840 4.340 -0.000 0.000 0.277 247 L C -1.259 175.613 176.870 0.002 0.000 0.996 247 L CA -0.976 53.907 54.840 0.071 0.000 0.822 247 L CB 1.392 43.497 42.059 0.076 0.000 1.256 247 L HN 0.156 nan 8.230 nan 0.000 0.413 248 L N 6.457 127.693 121.223 0.022 0.000 2.265 248 L HA 0.540 4.880 4.340 -0.000 0.000 0.289 248 L C -0.902 175.978 176.870 0.015 0.000 1.033 248 L CA -0.129 54.708 54.840 -0.005 0.000 0.814 248 L CB 0.733 42.805 42.059 0.022 0.000 1.203 248 L HN 0.429 nan 8.230 nan 0.000 0.423 249 I N 7.217 127.777 120.570 -0.015 0.000 2.322 249 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 249 I C 0.089 176.233 176.117 0.045 0.000 1.060 249 I CA -0.076 61.232 61.300 0.012 0.000 1.309 249 I CB 0.484 38.484 38.000 -0.000 0.000 1.415 249 I HN 0.543 nan 8.210 nan 0.000 0.492 250 I N 6.258 126.864 120.570 0.059 0.000 2.361 250 I HA 0.465 4.635 4.170 -0.000 0.000 0.282 250 I C 0.486 176.627 176.117 0.040 0.000 1.075 250 I CA -0.202 61.143 61.300 0.075 0.000 1.205 250 I CB 0.844 38.889 38.000 0.075 0.000 1.406 250 I HN 0.625 nan 8.210 nan 0.000 0.481 251 A N 4.394 127.244 122.820 0.050 0.000 2.344 251 A HA 0.413 4.733 4.320 -0.000 0.000 0.307 251 A C 1.046 178.655 177.584 0.041 0.000 1.151 251 A CA -0.543 51.517 52.037 0.038 0.000 0.842 251 A CB 1.237 20.262 19.000 0.043 0.000 1.350 251 A HN 0.710 nan 8.150 nan 0.000 0.459 252 E N -0.730 119.490 120.200 0.033 0.000 2.153 252 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 252 E C -0.516 176.117 176.600 0.055 0.000 0.988 252 E CA 1.501 57.925 56.400 0.039 0.000 0.811 252 E CB 0.146 29.867 29.700 0.034 0.000 0.746 252 E HN 0.619 nan 8.360 nan 0.000 0.466 253 D N -2.041 118.393 120.400 0.057 0.000 2.766 253 D HA 0.130 4.770 4.640 -0.000 0.000 0.244 253 D C -1.938 174.405 176.300 0.071 0.000 1.198 253 D CA -0.493 53.548 54.000 0.068 0.000 0.739 253 D CB 1.890 42.726 40.800 0.061 0.000 1.379 253 D HN -0.148 nan 8.370 nan 0.000 0.437 254 V N 2.688 122.655 119.914 0.089 0.000 2.349 254 V HA 0.452 4.572 4.120 -0.000 0.000 0.284 254 V C 0.146 176.295 176.094 0.093 0.000 1.014 254 V CA -0.614 61.742 62.300 0.094 0.000 0.826 254 V CB 1.292 33.188 31.823 0.122 0.000 1.009 254 V HN 0.418 nan 8.190 nan 0.000 0.431 255 E N 2.452 122.695 120.200 0.072 0.000 2.254 255 E HA 0.552 4.902 4.350 -0.000 0.000 0.261 255 E C 1.339 177.974 176.600 0.058 0.000 1.051 255 E CA -0.006 56.431 56.400 0.061 0.000 0.902 255 E CB 1.403 31.131 29.700 0.047 0.000 1.168 255 E HN 0.693 nan 8.360 nan 0.000 0.423 256 G N 1.540 110.369 108.800 0.049 0.000 3.903 256 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.260 256 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.260 256 G C 1.246 176.169 174.900 0.040 0.000 0.882 256 G CA 1.381 46.505 45.100 0.040 0.000 0.749 256 G HN 0.691 nan 8.290 nan 0.000 1.415 257 E N 0.950 121.170 120.200 0.033 0.000 2.068 257 E HA -0.245 4.105 4.350 -0.000 0.000 0.207 257 E C 3.002 179.625 176.600 0.038 0.000 1.032 257 E CA 2.237 58.655 56.400 0.029 0.000 0.839 257 E CB -0.710 29.005 29.700 0.024 0.000 0.758 257 E HN 0.528 nan 8.360 nan 0.000 0.457 258 A N 0.732 123.580 122.820 0.047 0.000 1.898 258 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 258 A C 2.253 179.889 177.584 0.085 0.000 1.181 258 A CA 1.363 53.435 52.037 0.058 0.000 0.620 258 A CB -0.629 18.405 19.000 0.056 0.000 0.819 258 A HN 0.319 nan 8.150 nan 0.000 0.442 259 L N -0.139 121.143 121.223 0.098 0.000 1.994 259 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 259 L C 2.752 179.685 176.870 0.105 0.000 1.071 259 L CA 2.186 57.111 54.840 0.141 0.000 0.745 259 L CB -0.861 41.277 42.059 0.131 0.000 0.892 259 L HN 0.352 nan 8.230 nan 0.000 0.431 260 A N -1.588 121.266 122.820 0.057 0.000 1.927 260 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 260 A C 2.276 179.870 177.584 0.017 0.000 1.185 260 A CA 2.638 54.687 52.037 0.019 0.000 0.639 260 A CB -1.307 17.699 19.000 0.010 0.000 0.820 260 A HN 0.553 nan 8.150 nan 0.000 0.451 261 T N 0.255 114.833 114.554 0.039 0.000 2.770 261 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 261 T C 1.813 176.553 174.700 0.067 0.000 1.039 261 T CA 1.339 63.462 62.100 0.038 0.000 1.142 261 T CB -0.364 68.526 68.868 0.037 0.000 0.868 261 T HN 0.384 nan 8.240 nan 0.000 0.435 262 L N 0.851 122.146 121.223 0.120 0.000 2.079 262 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 262 L C 2.649 179.680 176.870 0.267 0.000 1.081 262 L CA 0.879 55.840 54.840 0.202 0.000 0.752 262 L CB -0.799 41.428 42.059 0.280 0.000 0.896 262 L HN 0.151 nan 8.230 nan 0.000 0.433 263 V N -0.636 119.374 119.914 0.160 0.000 2.261 263 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 263 V C 2.411 178.473 176.094 -0.054 0.000 1.047 263 V CA 1.621 63.911 62.300 -0.017 0.000 1.015 263 V CB -0.263 31.462 31.823 -0.164 0.000 0.642 263 V HN 0.201 nan 8.190 nan 0.000 0.446 264 V N 0.453 120.334 119.914 -0.055 0.000 2.427 264 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 264 V C 1.971 178.053 176.094 -0.019 0.000 1.051 264 V CA 2.309 64.569 62.300 -0.066 0.000 1.048 264 V CB -0.975 30.815 31.823 -0.055 0.000 0.666 264 V HN 0.627 nan 8.190 nan 0.000 0.456 265 N N 0.031 118.744 118.700 0.023 0.000 2.376 265 N HA -0.101 4.639 4.740 -0.000 0.000 0.177 265 N C 1.833 177.372 175.510 0.049 0.000 1.024 265 N CA 1.335 54.405 53.050 0.033 0.000 0.893 265 N CB 0.027 38.538 38.487 0.040 0.000 0.980 265 N HN 0.640 nan 8.380 nan 0.000 0.439 266 T N -1.544 113.063 114.554 0.088 0.000 3.088 266 T HA 0.069 4.419 4.350 -0.000 0.000 0.259 266 T C 1.685 176.427 174.700 0.069 0.000 1.122 266 T CA 0.252 62.413 62.100 0.103 0.000 1.095 266 T CB 0.064 69.050 68.868 0.197 0.000 0.930 266 T HN -0.025 nan 8.240 nan 0.000 0.508 267 M N 1.204 120.821 119.600 0.028 0.000 2.288 267 M HA 0.271 4.751 4.480 -0.000 0.000 0.266 267 M C 1.940 178.232 176.300 -0.013 0.000 1.072 267 M CA 1.199 56.491 55.300 -0.014 0.000 1.132 267 M CB -0.087 32.463 32.600 -0.084 0.000 1.386 267 M HN 0.069 nan 8.290 nan 0.000 0.432 268 R N -0.808 119.687 120.500 -0.008 0.000 2.356 268 R HA 0.335 4.675 4.340 -0.000 0.000 0.234 268 R C 1.163 177.464 176.300 0.002 0.000 0.929 268 R CA 0.547 56.642 56.100 -0.008 0.000 1.084 268 R CB -0.182 30.111 30.300 -0.011 0.000 1.105 268 R HN 0.571 nan 8.270 nan 0.000 0.515 269 G N 1.470 110.277 108.800 0.011 0.000 2.257 269 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 269 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 269 G C 0.977 175.887 174.900 0.017 0.000 0.984 269 G CA 0.645 45.754 45.100 0.015 0.000 0.626 269 G HN 0.327 nan 8.290 nan 0.000 0.540 270 I N -0.231 120.349 120.570 0.016 0.000 2.065 270 I HA -0.183 3.987 4.170 -0.000 0.000 0.236 270 I C 1.224 177.355 176.117 0.022 0.000 1.028 270 I CA 2.120 63.430 61.300 0.017 0.000 1.299 270 I CB -0.552 37.457 38.000 0.015 0.000 1.015 270 I HN 0.163 nan 8.210 nan 0.000 0.396 271 V N -0.057 119.875 119.914 0.029 0.000 2.789 271 V HA 0.274 4.394 4.120 -0.000 0.000 0.311 271 V C -0.675 175.440 176.094 0.036 0.000 1.073 271 V CA -1.036 61.283 62.300 0.032 0.000 0.921 271 V CB 1.859 33.701 31.823 0.032 0.000 1.009 271 V HN 0.088 nan 8.190 nan 0.000 0.426 272 K N 2.849 123.267 120.400 0.030 0.000 2.219 272 K HA 0.571 4.891 4.320 -0.000 0.000 0.280 272 K C -0.819 175.779 176.600 -0.003 0.000 1.104 272 K CA 0.086 56.387 56.287 0.023 0.000 0.925 272 K CB 0.841 33.350 32.500 0.017 0.000 1.261 272 K HN 0.487 nan 8.250 nan 0.000 0.445 273 V N 1.606 121.504 119.914 -0.027 0.000 2.656 273 V HA 0.802 4.922 4.120 -0.000 0.000 0.307 273 V C -0.553 175.302 176.094 -0.397 0.000 1.051 273 V CA -1.119 61.108 62.300 -0.122 0.000 0.893 273 V CB 1.863 33.647 31.823 -0.065 0.000 0.999 273 V HN 0.690 nan 8.190 nan 0.000 0.426 274 A N 3.166 125.675 122.820 -0.519 0.000 2.414 274 A HA 0.998 5.318 4.320 -0.000 0.000 0.306 274 A C -0.444 176.765 177.584 -0.626 0.000 1.054 274 A CA -0.353 51.070 52.037 -1.023 0.000 0.724 274 A CB 1.848 20.544 19.000 -0.508 0.000 1.267 274 A HN 1.475 nan 8.150 nan 0.000 0.418 275 A N 1.054 123.487 122.820 -0.645 0.000 2.355 275 A HA 0.790 5.110 4.320 -0.000 0.000 0.317 275 A C -0.326 177.312 177.584 0.090 0.000 1.094 275 A CA -0.159 51.811 52.037 -0.112 0.000 0.764 275 A CB 1.140 20.155 19.000 0.026 0.000 1.230 275 A HN 2.245 nan 8.150 nan 0.000 0.448 276 V N -0.273 119.707 119.914 0.110 0.000 2.962 276 V HA 0.618 4.738 4.120 -0.000 0.000 0.313 276 V C -0.310 175.885 176.094 0.167 0.000 1.099 276 V CA -1.219 61.178 62.300 0.162 0.000 0.971 276 V CB 1.509 33.437 31.823 0.175 0.000 1.028 276 V HN 0.862 nan 8.190 nan 0.000 0.430 277 K N 2.005 122.503 120.400 0.163 0.000 2.380 277 K HA 0.562 4.881 4.320 -0.000 0.000 0.267 277 K C 0.444 177.136 176.600 0.153 0.000 0.990 277 K CA 0.380 56.749 56.287 0.138 0.000 0.946 277 K CB 0.983 33.554 32.500 0.118 0.000 0.937 277 K HN 1.108 nan 8.250 nan 0.000 0.491 278 A N 3.938 126.798 122.820 0.067 0.000 2.425 278 A HA 0.260 4.580 4.320 -0.000 0.000 0.249 278 A C -2.085 175.479 177.584 -0.034 0.000 1.084 278 A CA -1.284 50.730 52.037 -0.038 0.000 0.781 278 A CB -0.241 18.726 19.000 -0.054 0.000 1.019 278 A HN 0.441 nan 8.150 nan 0.000 0.490 279 P HA 0.371 nan 4.420 nan 0.000 0.271 279 P C 0.684 177.984 177.300 -0.001 0.000 1.218 279 P CA 1.454 64.519 63.100 -0.059 0.000 0.780 279 P CB 0.498 32.060 31.700 -0.230 0.000 0.901 280 G N 1.665 110.520 108.800 0.091 0.000 2.750 280 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.228 280 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.228 280 G C -0.846 174.195 174.900 0.235 0.000 1.367 280 G CA -0.055 45.135 45.100 0.149 0.000 0.871 280 G HN 0.729 nan 8.290 nan 0.000 0.560 281 F N -1.777 118.185 119.950 0.020 0.000 2.629 281 F HA 0.843 5.370 4.527 -0.000 0.000 0.316 281 F C 1.047 176.859 175.800 0.020 0.000 1.081 281 F CA 0.167 58.179 58.000 0.020 0.000 0.954 281 F CB 1.068 40.084 39.000 0.027 0.000 1.337 281 F HN 2.459 nan 8.300 nan 0.000 0.474 282 G N 1.584 110.362 108.800 -0.037 0.000 2.574 282 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.286 282 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.286 282 G C 0.416 175.230 174.900 -0.143 0.000 1.212 282 G CA 0.707 45.730 45.100 -0.128 0.000 0.979 282 G HN 0.844 nan 8.290 nan 0.000 0.557 283 D N 1.141 121.440 120.400 -0.168 0.000 2.087 283 D HA -0.111 4.529 4.640 -0.000 0.000 0.192 283 D C 2.507 178.732 176.300 -0.125 0.000 0.993 283 D CA 1.941 55.870 54.000 -0.118 0.000 0.828 283 D CB -0.367 40.374 40.800 -0.099 0.000 0.968 283 D HN 0.716 nan 8.370 nan 0.000 0.448 284 R N 1.200 121.597 120.500 -0.171 0.000 2.249 284 R HA -0.045 4.294 4.340 -0.000 0.000 0.230 284 R C 2.092 178.321 176.300 -0.118 0.000 1.121 284 R CA 0.908 56.923 56.100 -0.141 0.000 0.997 284 R CB -0.450 29.757 30.300 -0.156 0.000 0.867 284 R HN 0.105 nan 8.270 nan 0.000 0.465 285 R N 1.698 122.129 120.500 -0.116 0.000 2.073 285 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 285 R C 1.440 177.695 176.300 -0.075 0.000 1.134 285 R CA 1.885 57.939 56.100 -0.077 0.000 0.952 285 R CB -0.056 30.222 30.300 -0.037 0.000 0.850 285 R HN 0.301 nan 8.270 nan 0.000 0.433 286 K N 0.176 120.537 120.400 -0.065 0.000 2.032 286 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 286 K C 2.173 178.736 176.600 -0.062 0.000 1.048 286 K CA 1.591 57.845 56.287 -0.055 0.000 0.927 286 K CB -0.265 32.209 32.500 -0.044 0.000 0.712 286 K HN 0.235 nan 8.250 nan 0.000 0.441 287 A N 1.197 123.977 122.820 -0.066 0.000 1.940 287 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 287 A C 2.122 179.662 177.584 -0.073 0.000 1.176 287 A CA 1.673 53.672 52.037 -0.064 0.000 0.631 287 A CB -0.479 18.482 19.000 -0.065 0.000 0.814 287 A HN 0.219 nan 8.150 nan 0.000 0.446 288 M N -1.246 118.299 119.600 -0.091 0.000 2.236 288 M HA 0.066 4.545 4.480 -0.000 0.000 0.266 288 M C 2.163 178.378 176.300 -0.142 0.000 1.070 288 M CA 0.837 56.067 55.300 -0.116 0.000 1.137 288 M CB -0.289 32.231 32.600 -0.134 0.000 1.378 288 M HN 0.408 nan 8.290 nan 0.000 0.426 289 L N 0.275 121.419 121.223 -0.132 0.000 2.042 289 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 289 L C 2.624 179.442 176.870 -0.087 0.000 1.076 289 L CA 1.509 56.274 54.840 -0.124 0.000 0.749 289 L CB -0.304 41.702 42.059 -0.089 0.000 0.893 289 L HN 0.329 nan 8.230 nan 0.000 0.432 290 Q N 0.106 119.865 119.800 -0.067 0.000 2.119 290 Q HA -0.225 4.115 4.340 -0.000 0.000 0.201 290 Q C 1.671 177.644 176.000 -0.044 0.000 0.972 290 Q CA 1.852 57.626 55.803 -0.047 0.000 0.847 290 Q CB -0.158 28.556 28.738 -0.040 0.000 0.903 290 Q HN 0.414 nan 8.270 nan 0.000 0.433 291 D N -0.277 120.090 120.400 -0.055 0.000 2.149 291 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 291 D C 1.795 178.075 176.300 -0.034 0.000 0.990 291 D CA 1.314 55.288 54.000 -0.043 0.000 0.839 291 D CB -0.139 40.631 40.800 -0.050 0.000 0.948 291 D HN 0.390 nan 8.370 nan 0.000 0.460 292 I N 0.930 121.467 120.570 -0.055 0.000 2.286 292 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 292 I C 2.512 178.625 176.117 -0.007 0.000 1.104 292 I CA 0.798 62.079 61.300 -0.031 0.000 1.397 292 I CB -0.257 37.698 38.000 -0.075 0.000 1.072 292 I HN -0.087 nan 8.210 nan 0.000 0.417 293 A N 0.784 123.593 122.820 -0.017 0.000 1.873 293 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 293 A C 2.400 179.986 177.584 0.003 0.000 1.193 293 A CA 2.835 54.870 52.037 -0.003 0.000 0.629 293 A CB -1.342 17.652 19.000 -0.011 0.000 0.826 293 A HN 0.388 nan 8.150 nan 0.000 0.447 294 T N 0.211 114.763 114.554 -0.004 0.000 2.699 294 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 294 T C 1.793 176.497 174.700 0.007 0.000 1.036 294 T CA 1.373 63.473 62.100 -0.000 0.000 1.147 294 T CB -0.294 68.570 68.868 -0.006 0.000 0.862 294 T HN 0.295 nan 8.240 nan 0.000 0.446 295 L N 1.620 122.849 121.223 0.010 0.000 2.109 295 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 295 L C 2.293 179.177 176.870 0.023 0.000 1.086 295 L CA 2.127 56.977 54.840 0.017 0.000 0.760 295 L CB -1.151 40.923 42.059 0.024 0.000 0.910 295 L HN 0.460 nan 8.230 nan 0.000 0.437 296 T N -4.652 109.918 114.554 0.028 0.000 3.054 296 T HA 0.277 4.627 4.350 -0.000 0.000 0.255 296 T C 1.239 175.964 174.700 0.040 0.000 1.035 296 T CA 0.374 62.496 62.100 0.037 0.000 0.941 296 T CB 0.220 69.118 68.868 0.049 0.000 1.026 296 T HN 0.455 nan 8.240 nan 0.000 0.533 297 G N 0.668 109.486 108.800 0.031 0.000 2.176 297 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.252 297 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.252 297 G C 0.396 175.317 174.900 0.036 0.000 1.024 297 G CA -0.124 44.994 45.100 0.030 0.000 0.755 297 G HN 1.016 nan 8.290 nan 0.000 0.507 298 G N -1.684 107.136 108.800 0.033 0.000 2.642 298 G HA2 0.769 4.729 3.960 -0.000 0.000 0.291 298 G HA3 0.769 4.729 3.960 -0.000 0.000 0.291 298 G C -0.404 174.504 174.900 0.013 0.000 1.345 298 G CA 0.239 45.358 45.100 0.031 0.000 1.043 298 G HN 0.725 nan 8.290 nan 0.000 0.528 299 T N -0.006 114.551 114.554 0.006 0.000 2.928 299 T HA 0.375 4.725 4.350 -0.000 0.000 0.296 299 T C -0.240 174.456 174.700 -0.006 0.000 1.000 299 T CA -0.307 61.792 62.100 -0.002 0.000 0.989 299 T CB 1.715 70.580 68.868 -0.005 0.000 1.005 299 T HN 0.355 nan 8.240 nan 0.000 0.442 300 V N 4.665 124.573 119.914 -0.010 0.000 2.485 300 V HA 0.159 4.279 4.120 -0.000 0.000 0.287 300 V C 0.440 176.527 176.094 -0.012 0.000 1.022 300 V CA 0.036 62.328 62.300 -0.013 0.000 1.067 300 V CB -0.084 31.727 31.823 -0.019 0.000 0.967 300 V HN 0.762 nan 8.190 nan 0.000 0.479 301 I N 5.742 126.306 120.570 -0.010 0.000 2.268 301 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 301 I C 0.516 176.629 176.117 -0.007 0.000 1.125 301 I CA 0.186 61.481 61.300 -0.009 0.000 1.236 301 I CB 0.357 38.352 38.000 -0.009 0.000 1.469 301 I HN 0.699 nan 8.210 nan 0.000 0.512 302 S N 2.729 118.424 115.700 -0.008 0.000 2.509 302 S HA 0.383 4.853 4.470 -0.000 0.000 0.297 302 S C 0.589 175.187 174.600 -0.005 0.000 1.118 302 S CA -0.857 57.339 58.200 -0.007 0.000 1.074 302 S CB 2.136 65.331 63.200 -0.009 0.000 1.038 302 S HN 0.534 nan 8.310 nan 0.000 0.498 303 E N 0.984 121.183 120.200 -0.002 0.000 2.427 303 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 303 E C 1.206 177.805 176.600 -0.002 0.000 1.028 303 E CA 0.609 57.009 56.400 -0.001 0.000 0.864 303 E CB -0.004 29.698 29.700 0.002 0.000 0.813 303 E HN 0.783 nan 8.360 nan 0.000 0.514 304 E N 0.521 120.719 120.200 -0.003 0.000 2.150 304 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 304 E C 1.550 178.147 176.600 -0.005 0.000 0.985 304 E CA 0.778 57.176 56.400 -0.004 0.000 0.814 304 E CB 0.014 29.711 29.700 -0.005 0.000 0.752 304 E HN 0.322 nan 8.360 nan 0.000 0.466 305 I N 0.159 120.726 120.570 -0.006 0.000 3.812 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.320 305 I C 0.952 177.066 176.117 -0.005 0.000 1.276 305 I CA 0.107 61.404 61.300 -0.006 0.000 1.164 305 I CB -0.101 37.895 38.000 -0.007 0.000 1.009 305 I HN 0.116 nan 8.210 nan 0.000 0.431 306 G N 1.983 110.780 108.800 -0.004 0.000 2.225 306 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 306 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 306 G C 0.049 174.946 174.900 -0.005 0.000 1.060 306 G CA -0.094 45.004 45.100 -0.004 0.000 0.833 306 G HN 0.347 nan 8.290 nan 0.000 0.498 307 M N -0.027 119.570 119.600 -0.005 0.000 2.300 307 M HA 0.515 4.995 4.480 -0.000 0.000 0.348 307 M C 0.327 176.624 176.300 -0.006 0.000 1.151 307 M CA -0.325 54.971 55.300 -0.007 0.000 1.046 307 M CB 1.450 34.045 32.600 -0.008 0.000 1.647 307 M HN 0.244 nan 8.290 nan 0.000 0.451 308 E N 1.722 121.918 120.200 -0.007 0.000 2.222 308 E HA 0.336 4.686 4.350 -0.000 0.000 0.267 308 E C 0.220 176.815 176.600 -0.009 0.000 0.963 308 E CA -0.591 55.806 56.400 -0.006 0.000 0.837 308 E CB 2.042 31.739 29.700 -0.006 0.000 1.183 308 E HN 0.662 nan 8.360 nan 0.000 0.403 309 L N 1.306 122.525 121.223 -0.007 0.000 2.313 309 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 309 L C 1.607 178.468 176.870 -0.014 0.000 1.119 309 L CA 0.853 55.688 54.840 -0.010 0.000 0.809 309 L CB -0.141 41.915 42.059 -0.004 0.000 0.933 309 L HN 0.537 nan 8.230 nan 0.000 0.449 310 E N 0.569 120.763 120.200 -0.011 0.000 2.106 310 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 310 E C 0.924 177.513 176.600 -0.018 0.000 0.984 310 E CA 1.008 57.400 56.400 -0.013 0.000 0.806 310 E CB 0.027 29.722 29.700 -0.009 0.000 0.750 310 E HN 0.256 nan 8.360 nan 0.000 0.458 311 K N 0.409 120.799 120.400 -0.017 0.000 3.129 311 K HA 0.438 4.758 4.320 -0.000 0.000 0.241 311 K C -0.860 175.726 176.600 -0.024 0.000 1.239 311 K CA -0.252 56.023 56.287 -0.019 0.000 1.239 311 K CB 0.911 33.402 32.500 -0.015 0.000 1.347 311 K HN -0.022 nan 8.250 nan 0.000 0.435 312 A N 0.939 123.740 122.820 -0.032 0.000 2.374 312 A HA 0.501 4.821 4.320 -0.000 0.000 0.305 312 A C 0.031 177.579 177.584 -0.060 0.000 1.053 312 A CA -0.654 51.358 52.037 -0.041 0.000 0.726 312 A CB 0.947 19.924 19.000 -0.038 0.000 1.229 312 A HN 0.269 nan 8.150 nan 0.000 0.431 313 T N -0.274 114.237 114.554 -0.071 0.000 2.870 313 T HA 0.544 4.894 4.350 -0.000 0.000 0.277 313 T C 1.144 175.752 174.700 -0.153 0.000 1.000 313 T CA -0.727 61.315 62.100 -0.097 0.000 0.982 313 T CB 0.410 69.233 68.868 -0.074 0.000 1.249 313 T HN 0.344 nan 8.240 nan 0.000 0.589 314 L N -0.019 121.076 121.223 -0.213 0.000 2.261 314 L HA -0.050 4.290 4.340 -0.000 0.000 0.216 314 L C 2.856 179.584 176.870 -0.237 0.000 1.114 314 L CA 1.541 56.157 54.840 -0.374 0.000 0.777 314 L CB -0.542 41.268 42.059 -0.415 0.000 0.910 314 L HN 0.858 nan 8.230 nan 0.000 0.440 315 E N 0.173 120.304 120.200 -0.116 0.000 2.152 315 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 315 E C 1.485 178.066 176.600 -0.032 0.000 0.983 315 E CA 0.978 57.350 56.400 -0.046 0.000 0.818 315 E CB 0.208 29.890 29.700 -0.030 0.000 0.758 315 E HN 0.447 nan 8.360 nan 0.000 0.467 316 D N 0.174 120.543 120.400 -0.051 0.000 2.183 316 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 316 D C 0.242 176.532 176.300 -0.016 0.000 0.969 316 D CA 0.437 54.418 54.000 -0.031 0.000 0.842 316 D CB 0.061 40.837 40.800 -0.038 0.000 0.957 316 D HN 0.137 nan 8.370 nan 0.000 0.484 317 L N 0.906 122.108 121.223 -0.035 0.000 2.426 317 L HA 0.263 4.603 4.340 -0.000 0.000 0.271 317 L C 1.454 178.391 176.870 0.111 0.000 1.169 317 L CA 0.088 54.941 54.840 0.022 0.000 0.836 317 L CB 0.636 42.673 42.059 -0.036 0.000 1.112 317 L HN -0.157 nan 8.230 nan 0.000 0.465 318 G N 1.426 110.298 108.800 0.121 0.000 2.563 318 G HA2 0.523 4.483 3.960 -0.000 0.000 0.283 318 G HA3 0.523 4.483 3.960 -0.000 0.000 0.283 318 G C -0.926 174.077 174.900 0.170 0.000 1.309 318 G CA -0.204 44.968 45.100 0.120 0.000 1.022 318 G HN 0.558 nan 8.290 nan 0.000 0.501 319 Q N -2.297 117.559 119.800 0.094 0.000 2.527 319 Q HA 0.558 4.898 4.340 -0.000 0.000 0.280 319 Q C -1.418 174.581 176.000 -0.002 0.000 0.977 319 Q CA -0.700 55.120 55.803 0.028 0.000 0.837 319 Q CB 2.244 30.981 28.738 -0.002 0.000 1.454 319 Q HN 1.093 nan 8.270 nan 0.000 0.387 320 A N 1.444 124.240 122.820 -0.040 0.000 2.608 320 A HA 0.396 4.716 4.320 -0.000 0.000 0.292 320 A C -0.667 176.886 177.584 -0.052 0.000 1.066 320 A CA -0.590 51.431 52.037 -0.028 0.000 0.676 320 A CB 1.454 20.453 19.000 -0.002 0.000 1.277 320 A HN 0.743 nan 8.150 nan 0.000 0.413 321 K N -0.457 119.920 120.400 -0.039 0.000 2.097 321 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 321 K C 0.649 177.224 176.600 -0.042 0.000 1.050 321 K CA 1.262 57.523 56.287 -0.044 0.000 0.938 321 K CB 0.129 32.610 32.500 -0.030 0.000 0.718 321 K HN 0.521 nan 8.250 nan 0.000 0.442 322 R N 0.057 120.539 120.500 -0.030 0.000 2.561 322 R HA 0.174 4.514 4.340 -0.000 0.000 0.266 322 R C -1.807 174.483 176.300 -0.017 0.000 1.091 322 R CA -0.474 55.611 56.100 -0.025 0.000 0.927 322 R CB 1.980 32.269 30.300 -0.019 0.000 1.240 322 R HN -0.051 nan 8.270 nan 0.000 0.449 323 V N 0.765 120.669 119.914 -0.017 0.000 2.735 323 V HA 0.833 4.953 4.120 -0.000 0.000 0.310 323 V C -1.118 174.966 176.094 -0.016 0.000 1.061 323 V CA -0.635 61.656 62.300 -0.015 0.000 0.913 323 V CB 2.102 33.921 31.823 -0.007 0.000 1.005 323 V HN 0.407 nan 8.190 nan 0.000 0.428 324 V N 6.168 126.067 119.914 -0.025 0.000 2.531 324 V HA 0.591 4.711 4.120 -0.000 0.000 0.301 324 V C -0.171 175.907 176.094 -0.027 0.000 1.034 324 V CA -0.395 61.896 62.300 -0.014 0.000 0.865 324 V CB 1.593 33.409 31.823 -0.011 0.000 0.995 324 V HN 1.047 nan 8.190 nan 0.000 0.424 325 I N 1.716 122.298 120.570 0.020 0.000 2.466 325 I HA 0.663 4.833 4.170 -0.000 0.000 0.289 325 I C -0.601 175.593 176.117 0.128 0.000 1.026 325 I CA -0.417 60.902 61.300 0.032 0.000 1.078 325 I CB 1.974 40.000 38.000 0.044 0.000 1.249 325 I HN 0.445 nan 8.210 nan 0.000 0.429 326 N N 5.206 123.917 118.700 0.019 0.000 2.495 326 N HA 0.193 4.933 4.740 -0.000 0.000 0.294 326 N C 0.741 176.085 175.510 -0.277 0.000 1.276 326 N CA -0.553 52.508 53.050 0.019 0.000 0.973 326 N CB 0.822 39.287 38.487 -0.038 0.000 1.143 326 N HN 0.661 nan 8.380 nan 0.000 0.589 327 K N 0.065 120.277 120.400 -0.313 0.000 2.160 327 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 327 K C -0.428 175.860 176.600 -0.520 0.000 1.047 327 K CA 2.069 57.964 56.287 -0.654 0.000 0.930 327 K CB -0.009 32.366 32.500 -0.208 0.000 0.720 327 K HN 0.625 nan 8.250 nan 0.000 0.450 328 D N -1.949 118.280 120.400 -0.284 0.000 2.783 328 D HA 0.103 4.742 4.640 -0.000 0.000 0.306 328 D C -0.845 175.373 176.300 -0.137 0.000 1.633 328 D CA -0.463 53.426 54.000 -0.185 0.000 0.796 328 D CB 0.734 41.465 40.800 -0.116 0.000 1.230 328 D HN -0.177 nan 8.370 nan 0.000 0.441 329 T N -0.250 114.204 114.554 -0.167 0.000 2.993 329 T HA 0.601 4.950 4.350 -0.000 0.000 0.312 329 T C -1.161 173.376 174.700 -0.271 0.000 1.115 329 T CA -0.392 61.595 62.100 -0.189 0.000 1.027 329 T CB 2.163 70.956 68.868 -0.125 0.000 1.116 329 T HN -0.092 nan 8.240 nan 0.000 0.464 330 T N 2.274 116.523 114.554 -0.508 0.000 2.812 330 T HA 0.645 4.995 4.350 -0.000 0.000 0.282 330 T C -0.483 173.884 174.700 -0.554 0.000 0.990 330 T CA -0.504 61.231 62.100 -0.609 0.000 0.960 330 T CB 1.447 69.698 68.868 -1.028 0.000 0.948 330 T HN 0.630 nan 8.240 nan 0.000 0.438 331 T N 3.650 118.045 114.554 -0.264 0.000 2.840 331 T HA 0.657 5.007 4.350 -0.000 0.000 0.287 331 T C -0.712 173.953 174.700 -0.059 0.000 0.991 331 T CA -0.699 61.317 62.100 -0.141 0.000 0.964 331 T CB 0.187 69.004 68.868 -0.086 0.000 0.954 331 T HN 0.481 nan 8.240 nan 0.000 0.438 332 I N 6.075 126.644 120.570 -0.000 0.000 2.328 332 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 332 I C -0.385 175.746 176.117 0.023 0.000 1.012 332 I CA -0.814 60.506 61.300 0.033 0.000 1.195 332 I CB 1.228 39.286 38.000 0.096 0.000 1.350 332 I HN 0.592 nan 8.210 nan 0.000 0.464 333 I N 6.090 126.664 120.570 0.008 0.000 2.330 333 I HA 0.243 4.412 4.170 -0.000 0.000 0.289 333 I C -0.322 175.795 176.117 0.001 0.000 1.001 333 I CA -0.291 61.011 61.300 0.003 0.000 1.193 333 I CB 0.985 38.983 38.000 -0.004 0.000 1.345 333 I HN 0.551 nan 8.210 nan 0.000 0.461 334 D N 4.954 125.357 120.400 0.004 0.000 3.187 334 D HA -0.113 4.527 4.640 -0.000 0.000 0.244 334 D C 0.192 176.493 176.300 0.001 0.000 1.114 334 D CA 0.887 54.888 54.000 0.001 0.000 0.920 334 D CB -0.302 40.495 40.800 -0.006 0.000 0.970 334 D HN 0.805 nan 8.370 nan 0.000 0.418 335 G N 0.494 109.301 108.800 0.010 0.000 2.467 335 G HA2 0.367 4.327 3.960 -0.000 0.000 0.257 335 G HA3 0.367 4.327 3.960 -0.000 0.000 0.257 335 G C 1.452 176.358 174.900 0.010 0.000 1.227 335 G CA -0.295 44.813 45.100 0.014 0.000 0.835 335 G HN 0.329 nan 8.290 nan 0.000 0.556 336 V N 2.563 122.484 119.914 0.011 0.000 2.626 336 V HA -0.023 4.097 4.120 -0.000 0.000 0.252 336 V C 2.293 178.396 176.094 0.015 0.000 1.067 336 V CA 1.218 63.525 62.300 0.011 0.000 1.081 336 V CB -1.171 30.663 31.823 0.017 0.000 0.686 336 V HN 0.892 nan 8.190 nan 0.000 0.468 337 G N 1.098 109.909 108.800 0.018 0.000 2.238 337 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.234 337 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.234 337 G C -0.058 174.849 174.900 0.011 0.000 1.181 337 G CA -0.067 45.042 45.100 0.016 0.000 0.871 337 G HN 0.564 nan 8.290 nan 0.000 0.490 338 E N 1.746 121.952 120.200 0.010 0.000 2.354 338 E HA 0.055 4.405 4.350 -0.000 0.000 0.269 338 E C 0.959 177.562 176.600 0.005 0.000 1.036 338 E CA -0.232 56.173 56.400 0.007 0.000 0.876 338 E CB 1.374 31.078 29.700 0.007 0.000 1.009 338 E HN 0.682 nan 8.360 nan 0.000 0.416 339 E N 1.693 121.895 120.200 0.004 0.000 2.204 339 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 339 E C 1.815 178.416 176.600 0.002 0.000 0.990 339 E CA 0.929 57.331 56.400 0.003 0.000 0.821 339 E CB -0.036 29.666 29.700 0.002 0.000 0.750 339 E HN 0.605 nan 8.360 nan 0.000 0.477 340 A N 1.835 124.656 122.820 0.002 0.000 1.849 340 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 340 A C 2.447 180.031 177.584 0.000 0.000 1.202 340 A CA 2.134 54.172 52.037 0.001 0.000 0.629 340 A CB -0.889 18.112 19.000 0.001 0.000 0.834 340 A HN 0.320 nan 8.150 nan 0.000 0.447 341 A N -0.618 122.202 122.820 0.001 0.000 1.898 341 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 341 A C 2.172 179.756 177.584 -0.001 0.000 1.181 341 A CA 1.537 53.574 52.037 0.000 0.000 0.620 341 A CB -0.607 18.394 19.000 0.002 0.000 0.819 341 A HN 0.514 nan 8.150 nan 0.000 0.442 342 I N -1.037 119.534 120.570 0.001 0.000 2.133 342 I HA -0.249 3.920 4.170 -0.000 0.000 0.238 342 I C 2.725 178.841 176.117 -0.002 0.000 1.074 342 I CA 1.682 62.983 61.300 0.000 0.000 1.342 342 I CB -0.292 37.710 38.000 0.003 0.000 1.053 342 I HN 0.309 nan 8.210 nan 0.000 0.404 343 Q N 1.256 121.056 119.800 -0.001 0.000 2.234 343 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 343 Q C 1.996 177.993 176.000 -0.004 0.000 0.980 343 Q CA 1.935 57.737 55.803 -0.002 0.000 0.869 343 Q CB -0.726 28.011 28.738 -0.001 0.000 0.912 343 Q HN 0.512 nan 8.270 nan 0.000 0.436 344 G N -0.390 108.408 108.800 -0.004 0.000 2.403 344 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 344 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 344 G C 1.586 176.481 174.900 -0.007 0.000 1.154 344 G CA 0.650 45.747 45.100 -0.005 0.000 0.784 344 G HN 0.360 nan 8.290 nan 0.000 0.538 345 R N 0.203 120.698 120.500 -0.008 0.000 2.092 345 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 345 R C 2.543 178.835 176.300 -0.012 0.000 1.119 345 R CA 1.299 57.393 56.100 -0.011 0.000 0.970 345 R CB -0.745 29.549 30.300 -0.011 0.000 0.864 345 R HN 0.181 nan 8.270 nan 0.000 0.440 346 V N 0.914 120.823 119.914 -0.010 0.000 2.287 346 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 346 V C 2.371 178.459 176.094 -0.011 0.000 1.053 346 V CA 2.081 64.375 62.300 -0.010 0.000 1.027 346 V CB -1.010 30.808 31.823 -0.007 0.000 0.646 346 V HN 0.581 nan 8.190 nan 0.000 0.447 347 A N -1.033 121.781 122.820 -0.009 0.000 1.940 347 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 347 A C 2.164 179.741 177.584 -0.011 0.000 1.176 347 A CA 2.197 54.229 52.037 -0.009 0.000 0.631 347 A CB -0.501 18.495 19.000 -0.007 0.000 0.814 347 A HN 0.665 nan 8.150 nan 0.000 0.446 348 Q N -0.510 119.283 119.800 -0.012 0.000 1.993 348 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 348 Q C 2.115 178.104 176.000 -0.017 0.000 0.984 348 Q CA 1.760 57.555 55.803 -0.014 0.000 0.837 348 Q CB -0.378 28.351 28.738 -0.015 0.000 0.902 348 Q HN 0.754 nan 8.270 nan 0.000 0.423 349 I N 0.293 120.852 120.570 -0.020 0.000 2.208 349 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 349 I C 2.561 178.665 176.117 -0.022 0.000 1.097 349 I CA 1.173 62.459 61.300 -0.024 0.000 1.363 349 I CB -0.318 37.666 38.000 -0.027 0.000 1.051 349 I HN 0.149 nan 8.210 nan 0.000 0.413 350 R N 0.589 121.078 120.500 -0.018 0.000 2.159 350 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 350 R C 2.315 178.606 176.300 -0.015 0.000 1.131 350 R CA 1.399 57.490 56.100 -0.016 0.000 0.982 350 R CB -0.059 30.234 30.300 -0.012 0.000 0.868 350 R HN 0.452 nan 8.270 nan 0.000 0.453 351 Q N -0.600 119.192 119.800 -0.014 0.000 2.137 351 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 351 Q C 2.016 178.007 176.000 -0.015 0.000 0.960 351 Q CA 0.973 56.768 55.803 -0.013 0.000 0.847 351 Q CB 0.236 28.968 28.738 -0.011 0.000 0.915 351 Q HN 0.481 nan 8.270 nan 0.000 0.448 352 Q N 0.436 120.225 119.800 -0.018 0.000 2.112 352 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 352 Q C 2.104 178.091 176.000 -0.022 0.000 0.987 352 Q CA 1.159 56.949 55.803 -0.021 0.000 0.858 352 Q CB -0.345 28.376 28.738 -0.027 0.000 0.905 352 Q HN 0.472 nan 8.270 nan 0.000 0.420 353 I N 1.360 121.917 120.570 -0.023 0.000 2.264 353 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 353 I C 2.170 178.277 176.117 -0.015 0.000 1.111 353 I CA 1.100 62.386 61.300 -0.022 0.000 1.382 353 I CB -0.344 37.643 38.000 -0.022 0.000 1.060 353 I HN 0.177 nan 8.210 nan 0.000 0.418 354 E N 1.033 121.225 120.200 -0.013 0.000 2.107 354 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 354 E C 1.748 178.344 176.600 -0.008 0.000 0.982 354 E CA 1.124 57.519 56.400 -0.009 0.000 0.809 354 E CB -0.267 29.428 29.700 -0.008 0.000 0.756 354 E HN 0.641 nan 8.360 nan 0.000 0.459 355 E N 0.976 121.171 120.200 -0.009 0.000 2.442 355 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 355 E C 0.455 177.052 176.600 -0.006 0.000 1.030 355 E CA 0.065 56.461 56.400 -0.007 0.000 0.869 355 E CB 0.274 29.969 29.700 -0.008 0.000 0.857 355 E HN 0.065 nan 8.360 nan 0.000 0.505 356 A N 1.867 124.682 122.820 -0.008 0.000 2.545 356 A HA 0.027 4.347 4.320 -0.000 0.000 0.253 356 A C 1.186 178.771 177.584 0.002 0.000 1.074 356 A CA 0.445 52.478 52.037 -0.007 0.000 0.760 356 A CB -0.154 18.838 19.000 -0.014 0.000 1.005 356 A HN 0.244 nan 8.150 nan 0.000 0.506 357 T N -0.562 113.997 114.554 0.008 0.000 3.105 357 T HA 0.396 4.746 4.350 -0.000 0.000 0.253 357 T C 0.389 175.102 174.700 0.022 0.000 1.047 357 T CA 0.383 62.490 62.100 0.012 0.000 0.944 357 T CB -0.310 68.565 68.868 0.011 0.000 1.016 357 T HN 1.176 nan 8.240 nan 0.000 0.544 358 S N -0.233 115.484 115.700 0.029 0.000 2.546 358 S HA 0.338 4.808 4.470 -0.000 0.000 0.272 358 S C -0.112 174.521 174.600 0.055 0.000 1.140 358 S CA -0.637 57.594 58.200 0.051 0.000 0.920 358 S CB 1.624 64.870 63.200 0.076 0.000 1.083 358 S HN 0.015 nan 8.310 nan 0.000 0.476 359 D N 2.318 122.757 120.400 0.064 0.000 2.123 359 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 359 D C 1.342 177.684 176.300 0.070 0.000 0.992 359 D CA 1.730 55.764 54.000 0.057 0.000 0.833 359 D CB -0.317 40.522 40.800 0.064 0.000 0.954 359 D HN 0.731 nan 8.370 nan 0.000 0.455 360 Y N 2.019 122.321 120.300 0.003 0.000 2.081 360 Y HA -0.253 4.297 4.550 -0.000 0.000 0.280 360 Y C 1.670 177.568 175.900 -0.003 0.000 1.163 360 Y CA 2.110 60.213 58.100 0.004 0.000 1.135 360 Y CB -0.468 37.997 38.460 0.008 0.000 0.970 360 Y HN -0.079 nan 8.280 nan 0.000 0.498 361 D N -0.738 119.631 120.400 -0.053 0.000 2.123 361 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 361 D C 2.256 178.472 176.300 -0.140 0.000 0.992 361 D CA 1.577 55.503 54.000 -0.124 0.000 0.833 361 D CB -0.232 40.558 40.800 -0.015 0.000 0.954 361 D HN 0.257 nan 8.370 nan 0.000 0.455 362 R N 0.759 121.210 120.500 -0.081 0.000 2.097 362 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 362 R C 1.985 178.230 176.300 -0.092 0.000 1.135 362 R CA 1.520 57.581 56.100 -0.065 0.000 0.934 362 R CB -0.028 30.254 30.300 -0.030 0.000 0.846 362 R HN 0.186 nan 8.270 nan 0.000 0.431 363 E N 0.669 120.802 120.200 -0.111 0.000 2.085 363 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 363 E C 1.893 178.401 176.600 -0.153 0.000 0.994 363 E CA 0.996 57.330 56.400 -0.111 0.000 0.801 363 E CB -0.188 29.456 29.700 -0.093 0.000 0.743 363 E HN 0.252 nan 8.360 nan 0.000 0.453 364 K N 0.901 121.142 120.400 -0.266 0.000 2.063 364 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 364 K C 2.428 178.938 176.600 -0.150 0.000 1.048 364 K CA 0.727 56.861 56.287 -0.255 0.000 0.928 364 K CB -0.552 31.711 32.500 -0.394 0.000 0.713 364 K HN 0.205 nan 8.250 nan 0.000 0.442 365 L N 0.865 122.010 121.223 -0.129 0.000 2.027 365 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 365 L C 2.597 179.430 176.870 -0.062 0.000 1.074 365 L CA 1.181 55.971 54.840 -0.084 0.000 0.745 365 L CB -0.462 41.554 42.059 -0.070 0.000 0.898 365 L HN 0.203 nan 8.230 nan 0.000 0.433 366 Q N -0.024 119.741 119.800 -0.059 0.000 2.152 366 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 366 Q C 2.096 178.076 176.000 -0.035 0.000 0.985 366 Q CA 1.711 57.490 55.803 -0.040 0.000 0.863 366 Q CB -0.176 28.541 28.738 -0.035 0.000 0.904 366 Q HN 0.534 nan 8.270 nan 0.000 0.422 367 E N 0.383 120.557 120.200 -0.044 0.000 2.058 367 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 367 E C 2.102 178.688 176.600 -0.022 0.000 0.997 367 E CA 0.846 57.229 56.400 -0.029 0.000 0.801 367 E CB -0.025 29.654 29.700 -0.035 0.000 0.746 367 E HN 0.273 nan 8.360 nan 0.000 0.450 368 R N 0.449 120.928 120.500 -0.035 0.000 2.073 368 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 368 R C 2.751 179.039 176.300 -0.019 0.000 1.134 368 R CA 1.674 57.757 56.100 -0.029 0.000 0.952 368 R CB -0.786 29.488 30.300 -0.043 0.000 0.850 368 R HN 0.236 nan 8.270 nan 0.000 0.433 369 V N -1.157 118.744 119.914 -0.021 0.000 2.295 369 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 369 V C 2.382 178.472 176.094 -0.008 0.000 1.049 369 V CA 1.845 64.136 62.300 -0.015 0.000 1.024 369 V CB -1.152 30.661 31.823 -0.016 0.000 0.648 369 V HN 0.254 nan 8.190 nan 0.000 0.447 370 A N 0.398 123.214 122.820 -0.007 0.000 1.940 370 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 370 A C 2.347 179.935 177.584 0.006 0.000 1.176 370 A CA 2.354 54.390 52.037 -0.002 0.000 0.631 370 A CB -0.633 18.366 19.000 -0.002 0.000 0.814 370 A HN 0.649 nan 8.150 nan 0.000 0.446 371 K N -1.291 119.115 120.400 0.010 0.000 2.025 371 K HA -0.041 4.279 4.320 -0.000 0.000 0.207 371 K C 1.873 178.485 176.600 0.021 0.000 1.049 371 K CA 1.230 57.531 56.287 0.023 0.000 0.933 371 K CB -0.249 32.272 32.500 0.035 0.000 0.714 371 K HN 0.344 nan 8.250 nan 0.000 0.438 372 L N 0.391 121.621 121.223 0.011 0.000 2.109 372 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 372 L C 1.984 178.859 176.870 0.007 0.000 1.086 372 L CA 1.548 56.393 54.840 0.009 0.000 0.760 372 L CB -0.485 41.574 42.059 -0.001 0.000 0.910 372 L HN 0.092 nan 8.230 nan 0.000 0.437 373 A N -1.467 121.355 122.820 0.004 0.000 2.132 373 A HA 0.199 4.519 4.320 -0.000 0.000 0.213 373 A C 2.206 179.793 177.584 0.004 0.000 1.154 373 A CA 0.797 52.835 52.037 0.002 0.000 0.753 373 A CB -0.902 18.097 19.000 -0.001 0.000 0.826 373 A HN 0.436 nan 8.150 nan 0.000 0.469 374 G N -0.567 108.237 108.800 0.007 0.000 2.403 374 G HA2 0.348 4.308 3.960 -0.000 0.000 0.216 374 G HA3 0.348 4.308 3.960 -0.000 0.000 0.216 374 G C 1.198 176.103 174.900 0.008 0.000 1.154 374 G CA 0.718 45.822 45.100 0.007 0.000 0.784 374 G HN 1.571 nan 8.290 nan 0.000 0.538 375 G N -1.474 107.333 108.800 0.012 0.000 2.601 375 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.252 375 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.252 375 G C -0.569 174.338 174.900 0.012 0.000 1.294 375 G CA -0.071 45.036 45.100 0.012 0.000 0.912 375 G HN 1.110 nan 8.290 nan 0.000 0.574 376 V N 0.373 120.292 119.914 0.008 0.000 2.612 376 V HA 0.687 4.807 4.120 -0.000 0.000 0.301 376 V C 0.654 176.749 176.094 0.003 0.000 1.059 376 V CA -0.042 62.261 62.300 0.006 0.000 0.886 376 V CB 1.244 33.071 31.823 0.006 0.000 1.007 376 V HN 2.116 nan 8.190 nan 0.000 0.426 377 A N 4.565 127.386 122.820 0.002 0.000 2.401 377 A HA 0.722 5.042 4.320 -0.000 0.000 0.259 377 A C -0.398 177.187 177.584 0.001 0.000 1.103 377 A CA -0.226 51.812 52.037 0.001 0.000 0.789 377 A CB 0.745 19.745 19.000 0.001 0.000 1.035 377 A HN 0.810 nan 8.150 nan 0.000 0.491 378 V N 4.632 124.546 119.914 0.000 0.000 2.376 378 V HA 0.261 4.381 4.120 -0.000 0.000 0.287 378 V C -0.207 175.887 176.094 0.000 0.000 1.015 378 V CA -0.115 62.185 62.300 -0.000 0.000 0.834 378 V CB 1.083 32.906 31.823 -0.001 0.000 1.001 378 V HN 0.740 nan 8.190 nan 0.000 0.428 379 I N 5.270 125.840 120.570 0.001 0.000 2.337 379 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 379 I C 0.356 176.474 176.117 0.001 0.000 1.046 379 I CA -0.159 61.142 61.300 0.002 0.000 1.324 379 I CB 0.760 38.762 38.000 0.003 0.000 1.409 379 I HN 0.468 nan 8.210 nan 0.000 0.494 380 K N 5.948 126.348 120.400 -0.000 0.000 2.263 380 K HA 0.446 4.766 4.320 -0.000 0.000 0.272 380 K C -0.909 175.691 176.600 -0.000 0.000 1.033 380 K CA -0.664 55.623 56.287 -0.001 0.000 0.884 380 K CB 2.053 34.552 32.500 -0.002 0.000 1.107 380 K HN 0.313 nan 8.250 nan 0.000 0.460 381 V N 3.012 122.926 119.914 -0.000 0.000 2.408 381 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 381 V C 0.808 176.902 176.094 -0.001 0.000 1.047 381 V CA -0.611 61.689 62.300 -0.000 0.000 0.937 381 V CB 0.911 32.734 31.823 0.000 0.000 0.999 381 V HN 0.889 nan 8.190 nan 0.000 0.472 382 G N 3.450 112.250 108.800 -0.001 0.000 2.448 382 G HA2 0.742 4.702 3.960 -0.000 0.000 0.285 382 G HA3 0.742 4.702 3.960 -0.000 0.000 0.285 382 G C -0.323 174.576 174.900 -0.002 0.000 1.176 382 G CA 0.305 45.404 45.100 -0.001 0.000 0.852 382 G HN 1.228 nan 8.290 nan 0.000 0.530 383 A N -0.308 122.511 122.820 -0.002 0.000 2.540 383 A HA 0.768 5.088 4.320 -0.000 0.000 0.291 383 A C 0.704 178.287 177.584 -0.002 0.000 1.083 383 A CA 0.364 52.400 52.037 -0.002 0.000 0.650 383 A CB 0.443 19.442 19.000 -0.002 0.000 1.292 383 A HN 1.762 nan 8.150 nan 0.000 0.435 384 A N -0.472 122.347 122.820 -0.002 0.000 1.935 384 A HA 0.452 4.772 4.320 -0.000 0.000 0.214 384 A C 1.220 178.802 177.584 -0.002 0.000 1.178 384 A CA 2.248 54.284 52.037 -0.002 0.000 0.640 384 A CB -0.491 18.507 19.000 -0.002 0.000 0.825 384 A HN 2.077 nan 8.150 nan 0.000 0.447 385 T N -4.454 110.098 114.554 -0.003 0.000 2.901 385 T HA 0.472 4.822 4.350 -0.000 0.000 0.293 385 T C 0.465 175.163 174.700 -0.003 0.000 1.084 385 T CA 0.065 62.163 62.100 -0.003 0.000 1.008 385 T CB 1.874 70.740 68.868 -0.003 0.000 1.170 385 T HN 0.232 nan 8.240 nan 0.000 0.509 386 E N 0.126 120.324 120.200 -0.003 0.000 2.097 386 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 386 E C 1.827 178.425 176.600 -0.003 0.000 1.000 386 E CA 1.733 58.131 56.400 -0.003 0.000 0.804 386 E CB -0.271 29.427 29.700 -0.004 0.000 0.740 386 E HN 0.549 nan 8.360 nan 0.000 0.454 387 V N 0.813 120.725 119.914 -0.003 0.000 2.295 387 V HA -0.236 3.883 4.120 -0.000 0.000 0.246 387 V C 2.149 178.241 176.094 -0.003 0.000 1.049 387 V CA 2.211 64.509 62.300 -0.003 0.000 1.024 387 V CB -0.590 31.231 31.823 -0.003 0.000 0.648 387 V HN 0.261 nan 8.190 nan 0.000 0.447 388 E N -0.686 119.513 120.200 -0.003 0.000 2.150 388 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 388 E C 2.163 178.761 176.600 -0.003 0.000 0.985 388 E CA 1.018 57.416 56.400 -0.003 0.000 0.814 388 E CB -0.117 29.581 29.700 -0.003 0.000 0.752 388 E HN 0.450 nan 8.360 nan 0.000 0.466 389 M N 0.699 120.297 119.600 -0.003 0.000 2.123 389 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 389 M C 1.588 177.886 176.300 -0.003 0.000 1.069 389 M CA 1.327 56.625 55.300 -0.003 0.000 1.133 389 M CB -0.010 32.588 32.600 -0.003 0.000 1.356 389 M HN -0.110 nan 8.290 nan 0.000 0.415 390 K N 0.416 120.814 120.400 -0.003 0.000 2.152 390 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 390 K C 1.817 178.415 176.600 -0.004 0.000 1.048 390 K CA 1.350 57.635 56.287 -0.003 0.000 0.933 390 K CB -0.655 31.842 32.500 -0.004 0.000 0.721 390 K HN 0.572 nan 8.250 nan 0.000 0.447 391 E N 1.269 121.467 120.200 -0.004 0.000 2.028 391 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 391 E C 2.095 178.693 176.600 -0.003 0.000 0.984 391 E CA 0.974 57.371 56.400 -0.004 0.000 0.800 391 E CB 0.114 29.811 29.700 -0.004 0.000 0.758 391 E HN 0.182 nan 8.360 nan 0.000 0.448 392 K N 1.032 121.430 120.400 -0.003 0.000 2.097 392 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 392 K C 2.300 178.900 176.600 -0.000 0.000 1.049 392 K CA 1.356 57.642 56.287 -0.001 0.000 0.933 392 K CB -0.059 32.441 32.500 -0.001 0.000 0.717 392 K HN -0.062 nan 8.250 nan 0.000 0.442 393 K N 0.303 120.703 120.400 -0.000 0.000 2.032 393 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 393 K C 1.971 178.572 176.600 0.001 0.000 1.048 393 K CA 1.421 57.709 56.287 0.001 0.000 0.927 393 K CB -0.230 32.270 32.500 -0.000 0.000 0.712 393 K HN 0.205 nan 8.250 nan 0.000 0.441 394 A N 1.468 124.287 122.820 -0.002 0.000 1.908 394 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 394 A C 2.164 179.746 177.584 -0.003 0.000 1.181 394 A CA 1.588 53.622 52.037 -0.004 0.000 0.627 394 A CB -0.538 18.458 19.000 -0.008 0.000 0.818 394 A HN 0.357 nan 8.150 nan 0.000 0.445 395 R N -0.840 119.659 120.500 -0.001 0.000 2.081 395 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 395 R C 2.072 178.376 176.300 0.007 0.000 1.131 395 R CA 1.485 57.585 56.100 0.001 0.000 0.960 395 R CB -0.418 29.882 30.300 -0.000 0.000 0.856 395 R HN 0.414 nan 8.270 nan 0.000 0.436 396 V N 0.894 120.813 119.914 0.008 0.000 2.307 396 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 396 V C 1.925 178.031 176.094 0.021 0.000 1.045 396 V CA 1.772 64.079 62.300 0.012 0.000 1.024 396 V CB -0.412 31.417 31.823 0.009 0.000 0.651 396 V HN 0.351 nan 8.190 nan 0.000 0.449 397 E N -0.046 120.166 120.200 0.019 0.000 2.070 397 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 397 E C 2.011 178.640 176.600 0.049 0.000 1.004 397 E CA 1.741 58.160 56.400 0.031 0.000 0.805 397 E CB -0.159 29.551 29.700 0.017 0.000 0.744 397 E HN 0.599 nan 8.360 nan 0.000 0.451 398 D N -0.225 120.190 120.400 0.025 0.000 2.103 398 D HA -0.077 4.562 4.640 -0.000 0.000 0.199 398 D C 1.906 178.242 176.300 0.061 0.000 0.978 398 D CA 1.168 55.182 54.000 0.023 0.000 0.829 398 D CB -0.222 40.574 40.800 -0.007 0.000 0.981 398 D HN 0.155 nan 8.370 nan 0.000 0.464 399 A N 0.985 123.830 122.820 0.042 0.000 1.933 399 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 399 A C 2.162 179.777 177.584 0.052 0.000 1.175 399 A CA 0.999 53.060 52.037 0.041 0.000 0.628 399 A CB -0.645 18.370 19.000 0.024 0.000 0.814 399 A HN 0.235 nan 8.150 nan 0.000 0.444 400 L N -0.814 120.443 121.223 0.056 0.000 2.017 400 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 400 L C 2.386 179.294 176.870 0.063 0.000 1.073 400 L CA 2.644 57.513 54.840 0.048 0.000 0.745 400 L CB -0.886 41.199 42.059 0.043 0.000 0.894 400 L HN 0.612 nan 8.230 nan 0.000 0.432 401 H N -0.219 118.851 119.070 -0.001 0.000 2.319 401 H HA -0.171 4.385 4.556 -0.000 0.000 0.297 401 H C 1.923 177.252 175.328 0.002 0.000 1.097 401 H CA 1.885 57.933 56.048 0.000 0.000 1.285 401 H CB 0.113 29.874 29.762 -0.000 0.000 1.368 401 H HN 0.493 nan 8.280 nan 0.000 0.495 402 A N -0.246 122.678 122.820 0.173 0.000 1.930 402 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 402 A C 2.671 180.273 177.584 0.030 0.000 1.175 402 A CA 1.935 54.035 52.037 0.106 0.000 0.627 402 A CB -0.862 18.189 19.000 0.086 0.000 0.815 402 A HN 0.511 nan 8.150 nan 0.000 0.443 403 T N -0.712 113.854 114.554 0.020 0.000 2.821 403 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 403 T C 2.162 176.850 174.700 -0.020 0.000 1.046 403 T CA 1.172 63.274 62.100 0.003 0.000 1.139 403 T CB -0.225 68.647 68.868 0.007 0.000 0.871 403 T HN 0.292 nan 8.240 nan 0.000 0.454 404 R N 1.636 122.108 120.500 -0.046 0.000 2.083 404 R HA 0.039 4.379 4.340 -0.000 0.000 0.237 404 R C 2.609 178.864 176.300 -0.075 0.000 1.137 404 R CA 1.891 57.947 56.100 -0.073 0.000 0.951 404 R CB -1.177 29.046 30.300 -0.128 0.000 0.851 404 R HN 0.413 nan 8.270 nan 0.000 0.434 405 A N 0.503 123.265 122.820 -0.096 0.000 1.892 405 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 405 A C 2.370 179.940 177.584 -0.024 0.000 1.188 405 A CA 2.316 54.317 52.037 -0.061 0.000 0.631 405 A CB -0.844 18.134 19.000 -0.036 0.000 0.822 405 A HN 0.454 nan 8.150 nan 0.000 0.447 406 A N -1.010 121.803 122.820 -0.012 0.000 1.972 406 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 406 A C 2.167 179.748 177.584 -0.006 0.000 1.169 406 A CA 1.644 53.680 52.037 -0.002 0.000 0.635 406 A CB -0.673 18.329 19.000 0.003 0.000 0.810 406 A HN 0.394 nan 8.150 nan 0.000 0.446 407 V N -0.122 119.785 119.914 -0.012 0.000 2.591 407 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 407 V C 2.282 178.370 176.094 -0.010 0.000 1.053 407 V CA 2.023 64.317 62.300 -0.010 0.000 1.068 407 V CB -0.541 31.273 31.823 -0.014 0.000 0.689 407 V HN 0.646 nan 8.190 nan 0.000 0.462 408 E N -0.325 119.867 120.200 -0.015 0.000 2.107 408 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 408 E C 1.555 178.152 176.600 -0.005 0.000 0.982 408 E CA 1.112 57.505 56.400 -0.012 0.000 0.809 408 E CB 0.118 29.808 29.700 -0.017 0.000 0.756 408 E HN 0.622 nan 8.360 nan 0.000 0.459 409 E N -1.008 119.190 120.200 -0.003 0.000 2.702 409 E HA 0.197 4.547 4.350 -0.000 0.000 0.225 409 E C 0.173 176.776 176.600 0.004 0.000 0.942 409 E CA 0.141 56.542 56.400 0.002 0.000 1.210 409 E CB 1.714 31.416 29.700 0.004 0.000 1.143 409 E HN 0.207 nan 8.360 nan 0.000 0.544 410 G N 1.287 110.089 108.800 0.003 0.000 2.698 410 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.225 410 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.225 410 G C -0.364 174.542 174.900 0.009 0.000 1.345 410 G CA -0.464 44.640 45.100 0.006 0.000 0.871 410 G HN 0.486 nan 8.290 nan 0.000 0.540 411 V N -2.567 117.354 119.914 0.011 0.000 2.914 411 V HA 0.977 5.096 4.120 -0.000 0.000 0.314 411 V C 0.588 176.691 176.094 0.015 0.000 1.084 411 V CA 0.021 62.329 62.300 0.013 0.000 0.963 411 V CB 1.331 33.162 31.823 0.012 0.000 1.025 411 V HN 2.412 nan 8.190 nan 0.000 0.432 412 V N -0.360 119.565 119.914 0.017 0.000 3.130 412 V HA 1.004 5.124 4.120 -0.000 0.000 0.310 412 V C 0.508 176.614 176.094 0.020 0.000 1.158 412 V CA -0.704 61.607 62.300 0.019 0.000 1.029 412 V CB 1.233 33.068 31.823 0.020 0.000 1.057 412 V HN 2.054 nan 8.190 nan 0.000 0.436 413 A N 1.102 123.936 122.820 0.023 0.000 2.565 413 A HA 0.580 4.900 4.320 -0.000 0.000 0.237 413 A C 0.902 178.497 177.584 0.019 0.000 1.053 413 A CA 0.803 52.853 52.037 0.022 0.000 0.755 413 A CB -0.587 18.432 19.000 0.031 0.000 0.980 413 A HN 1.993 nan 8.150 nan 0.000 0.506 414 G N 0.397 109.204 108.800 0.012 0.000 2.543 414 G HA2 0.540 4.500 3.960 -0.000 0.000 0.267 414 G HA3 0.540 4.500 3.960 -0.000 0.000 0.267 414 G C 1.107 176.013 174.900 0.011 0.000 1.406 414 G CA -0.086 45.020 45.100 0.010 0.000 1.048 414 G HN 2.270 nan 8.290 nan 0.000 0.548 415 G N -1.914 106.891 108.800 0.009 0.000 2.258 415 G HA2 0.211 4.171 3.960 -0.000 0.000 0.274 415 G HA3 0.211 4.171 3.960 -0.000 0.000 0.274 415 G C 1.507 176.426 174.900 0.030 0.000 1.021 415 G CA 1.221 46.331 45.100 0.017 0.000 0.798 415 G HN 2.455 nan 8.290 nan 0.000 0.507 416 G N -2.441 106.375 108.800 0.027 0.000 2.175 416 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.265 416 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.265 416 G C 1.904 176.826 174.900 0.035 0.000 0.979 416 G CA 1.938 47.056 45.100 0.030 0.000 0.663 416 G HN 2.196 nan 8.290 nan 0.000 0.533 417 V N -0.617 119.319 119.914 0.038 0.000 2.453 417 V HA 0.291 4.411 4.120 -0.000 0.000 0.247 417 V C 2.831 178.951 176.094 0.043 0.000 1.048 417 V CA 2.282 64.610 62.300 0.046 0.000 1.049 417 V CB -0.619 31.236 31.823 0.054 0.000 0.672 417 V HN 1.412 nan 8.190 nan 0.000 0.457 418 A N 0.564 123.406 122.820 0.036 0.000 1.883 418 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 418 A C 2.237 179.839 177.584 0.030 0.000 1.186 418 A CA 2.381 54.437 52.037 0.032 0.000 0.624 418 A CB -0.792 18.224 19.000 0.027 0.000 0.822 418 A HN 0.626 nan 8.150 nan 0.000 0.444 419 L N -1.017 120.223 121.223 0.028 0.000 2.141 419 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 419 L C 2.451 179.337 176.870 0.027 0.000 1.094 419 L CA 0.972 55.827 54.840 0.025 0.000 0.763 419 L CB -0.343 41.730 42.059 0.023 0.000 0.908 419 L HN 0.387 nan 8.230 nan 0.000 0.437 420 I N -0.943 119.646 120.570 0.033 0.000 2.439 420 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 420 I C 2.667 178.807 176.117 0.038 0.000 1.139 420 I CA 0.632 61.954 61.300 0.036 0.000 1.438 420 I CB -0.079 37.948 38.000 0.045 0.000 1.085 420 I HN 0.222 nan 8.210 nan 0.000 0.427 421 R N 0.088 120.612 120.500 0.041 0.000 2.062 421 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 421 R C 2.254 178.571 176.300 0.029 0.000 1.128 421 R CA 0.974 57.098 56.100 0.040 0.000 0.960 421 R CB -0.995 29.331 30.300 0.043 0.000 0.855 421 R HN 0.201 nan 8.270 nan 0.000 0.432 422 V N 1.651 121.580 119.914 0.025 0.000 2.278 422 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 422 V C 2.543 178.646 176.094 0.016 0.000 1.062 422 V CA 2.154 64.465 62.300 0.018 0.000 1.038 422 V CB -0.959 30.873 31.823 0.016 0.000 0.646 422 V HN 0.352 nan 8.190 nan 0.000 0.447 423 A N 0.602 123.433 122.820 0.018 0.000 1.902 423 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 423 A C 2.529 180.122 177.584 0.015 0.000 1.181 423 A CA 2.435 54.481 52.037 0.015 0.000 0.623 423 A CB -0.827 18.183 19.000 0.017 0.000 0.818 423 A HN 0.728 nan 8.150 nan 0.000 0.443 424 S N -0.251 115.460 115.700 0.018 0.000 2.423 424 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 424 S C 1.690 176.297 174.600 0.013 0.000 1.014 424 S CA 1.408 59.617 58.200 0.016 0.000 0.965 424 S CB -0.337 62.875 63.200 0.021 0.000 0.785 424 S HN 0.593 nan 8.310 nan 0.000 0.495 425 K N 0.676 121.084 120.400 0.014 0.000 2.365 425 K HA 0.210 4.530 4.320 -0.000 0.000 0.199 425 K C 1.048 177.653 176.600 0.008 0.000 1.045 425 K CA 0.644 56.938 56.287 0.011 0.000 0.962 425 K CB -0.197 32.309 32.500 0.011 0.000 0.759 425 K HN 0.440 nan 8.250 nan 0.000 0.469 426 L N -0.283 120.944 121.223 0.008 0.000 2.700 426 L HA 0.210 4.550 4.340 -0.000 0.000 0.234 426 L C 1.776 178.650 176.870 0.005 0.000 1.156 426 L CA -0.180 54.663 54.840 0.006 0.000 0.946 426 L CB 0.017 42.079 42.059 0.006 0.000 1.216 426 L HN 0.051 nan 8.230 nan 0.000 0.493 427 A N 0.211 123.035 122.820 0.006 0.000 2.032 427 A HA -0.207 4.112 4.320 -0.000 0.000 0.221 427 A C 1.599 179.185 177.584 0.003 0.000 1.165 427 A CA 1.793 53.833 52.037 0.005 0.000 0.645 427 A CB -0.205 18.798 19.000 0.005 0.000 0.807 427 A HN 0.339 nan 8.150 nan 0.000 0.453 428 D N -1.349 119.053 120.400 0.003 0.000 2.349 428 D HA 0.162 4.802 4.640 -0.000 0.000 0.214 428 D C 0.243 176.544 176.300 0.002 0.000 1.063 428 D CA -0.224 53.778 54.000 0.002 0.000 0.847 428 D CB -0.098 40.703 40.800 0.002 0.000 0.933 428 D HN 0.342 nan 8.370 nan 0.000 0.513 429 L N 1.762 122.986 121.223 0.002 0.000 2.499 429 L HA 0.100 4.440 4.340 -0.000 0.000 0.273 429 L C 0.043 176.914 176.870 0.001 0.000 1.195 429 L CA 0.629 55.470 54.840 0.002 0.000 0.882 429 L CB 0.162 42.222 42.059 0.002 0.000 1.133 429 L HN -0.239 nan 8.230 nan 0.000 0.483 430 R N 3.086 123.586 120.500 0.001 0.000 2.808 430 R HA 0.696 5.036 4.340 -0.000 0.000 0.272 430 R C -0.105 176.196 176.300 0.000 0.000 0.995 430 R CA -0.268 55.833 56.100 0.001 0.000 0.917 430 R CB 1.558 31.859 30.300 0.001 0.000 1.217 430 R HN 0.812 nan 8.270 nan 0.000 0.471 431 G N -0.169 108.631 108.800 0.001 0.000 3.135 431 G HA2 0.198 4.158 3.960 -0.000 0.000 0.159 431 G HA3 0.198 4.158 3.960 -0.000 0.000 0.159 431 G C -0.016 174.884 174.900 0.000 0.000 1.244 431 G CA -0.181 44.919 45.100 0.000 0.000 0.965 431 G HN 0.409 nan 8.290 nan 0.000 0.599 432 Q N -0.264 119.536 119.800 0.000 0.000 2.398 432 Q HA 0.173 4.513 4.340 -0.000 0.000 0.204 432 Q C -0.006 175.994 176.000 0.001 0.000 0.932 432 Q CA 0.626 56.429 55.803 0.001 0.000 0.916 432 Q CB 0.208 28.947 28.738 0.000 0.000 1.024 432 Q HN 0.596 nan 8.270 nan 0.000 0.504 433 N N -2.888 115.813 118.700 0.001 0.000 3.106 433 N HA 0.169 4.909 4.740 -0.000 0.000 0.253 433 N C 0.243 175.754 175.510 0.001 0.000 1.506 433 N CA 0.111 53.162 53.050 0.001 0.000 0.876 433 N CB 0.117 38.605 38.487 0.001 0.000 1.452 433 N HN -0.163 nan 8.380 nan 0.000 0.542 434 E N -0.245 119.955 120.200 0.001 0.000 2.077 434 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 434 E C 0.902 177.503 176.600 0.002 0.000 0.989 434 E CA 1.991 58.392 56.400 0.002 0.000 0.800 434 E CB -1.134 28.567 29.700 0.001 0.000 0.746 434 E HN 0.660 nan 8.360 nan 0.000 0.452 435 D N 0.226 120.628 120.400 0.002 0.000 2.144 435 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 435 D C 2.167 178.469 176.300 0.003 0.000 0.984 435 D CA 1.397 55.399 54.000 0.003 0.000 0.834 435 D CB -0.310 40.492 40.800 0.003 0.000 0.955 435 D HN 0.601 nan 8.370 nan 0.000 0.465 436 Q N 0.132 119.934 119.800 0.002 0.000 2.119 436 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 436 Q C 1.818 177.819 176.000 0.002 0.000 0.972 436 Q CA 0.737 56.541 55.803 0.002 0.000 0.847 436 Q CB -0.057 28.682 28.738 0.002 0.000 0.903 436 Q HN 0.258 nan 8.270 nan 0.000 0.433 437 N N 0.240 118.941 118.700 0.002 0.000 2.104 437 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 437 N C 1.854 177.366 175.510 0.003 0.000 1.024 437 N CA 1.028 54.080 53.050 0.002 0.000 0.853 437 N CB -0.396 38.092 38.487 0.002 0.000 1.008 437 N HN 0.047 nan 8.380 nan 0.000 0.424 438 V N 0.808 120.723 119.914 0.003 0.000 2.358 438 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 438 V C 2.422 178.518 176.094 0.004 0.000 1.047 438 V CA 1.974 64.276 62.300 0.003 0.000 1.035 438 V CB -1.208 30.617 31.823 0.003 0.000 0.658 438 V HN 0.352 nan 8.190 nan 0.000 0.452 439 G N -0.196 108.606 108.800 0.004 0.000 2.442 439 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 439 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 439 G C 1.585 176.487 174.900 0.004 0.000 1.141 439 G CA 1.066 46.168 45.100 0.004 0.000 0.763 439 G HN 0.489 nan 8.290 nan 0.000 0.554 440 I N 0.187 120.759 120.570 0.003 0.000 2.179 440 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 440 I C 2.692 178.812 176.117 0.004 0.000 1.088 440 I CA 0.994 62.296 61.300 0.003 0.000 1.357 440 I CB -0.046 37.955 38.000 0.002 0.000 1.051 440 I HN -0.025 nan 8.210 nan 0.000 0.409 441 K N 0.494 120.896 120.400 0.004 0.000 2.097 441 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 441 K C 2.111 178.714 176.600 0.006 0.000 1.049 441 K CA 0.964 57.254 56.287 0.005 0.000 0.933 441 K CB -0.915 31.588 32.500 0.004 0.000 0.717 441 K HN 0.174 nan 8.250 nan 0.000 0.442 442 V N 1.591 121.508 119.914 0.006 0.000 2.282 442 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 442 V C 2.408 178.507 176.094 0.007 0.000 1.057 442 V CA 2.281 64.585 62.300 0.007 0.000 1.032 442 V CB -0.802 31.025 31.823 0.007 0.000 0.645 442 V HN 0.347 nan 8.190 nan 0.000 0.447 443 A N -0.624 122.200 122.820 0.007 0.000 1.897 443 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 443 A C 2.160 179.749 177.584 0.008 0.000 1.181 443 A CA 1.550 53.592 52.037 0.007 0.000 0.620 443 A CB -0.477 18.526 19.000 0.004 0.000 0.821 443 A HN 0.513 nan 8.150 nan 0.000 0.443 444 L N -1.169 120.058 121.223 0.007 0.000 2.083 444 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 444 L C 2.797 179.673 176.870 0.010 0.000 1.083 444 L CA 1.747 56.593 54.840 0.009 0.000 0.752 444 L CB -0.539 41.525 42.059 0.008 0.000 0.899 444 L HN 0.417 nan 8.230 nan 0.000 0.433 445 R N 0.303 120.809 120.500 0.009 0.000 2.075 445 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 445 R C 2.448 178.755 176.300 0.011 0.000 1.126 445 R CA 1.240 57.346 56.100 0.010 0.000 0.963 445 R CB -0.247 30.058 30.300 0.008 0.000 0.858 445 R HN 0.327 nan 8.270 nan 0.000 0.435 446 A N 0.757 123.583 122.820 0.011 0.000 1.986 446 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 446 A C 2.087 179.680 177.584 0.014 0.000 1.171 446 A CA 1.741 53.786 52.037 0.012 0.000 0.640 446 A CB -0.473 18.535 19.000 0.013 0.000 0.811 446 A HN 0.357 nan 8.150 nan 0.000 0.451 447 M N -0.805 118.803 119.600 0.014 0.000 2.460 447 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 447 M C 1.546 177.857 176.300 0.019 0.000 1.071 447 M CA 1.036 56.346 55.300 0.017 0.000 1.096 447 M CB -0.216 32.394 32.600 0.016 0.000 1.408 447 M HN 0.475 nan 8.290 nan 0.000 0.463 448 E N 0.309 120.520 120.200 0.017 0.000 2.358 448 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 448 E C 2.072 178.682 176.600 0.016 0.000 1.010 448 E CA 0.650 57.061 56.400 0.018 0.000 0.856 448 E CB -0.010 29.699 29.700 0.015 0.000 0.795 448 E HN 0.504 nan 8.360 nan 0.000 0.504 449 A N 2.233 125.062 122.820 0.015 0.000 1.933 449 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 449 A C -0.321 177.271 177.584 0.014 0.000 1.175 449 A CA 1.087 53.132 52.037 0.013 0.000 0.628 449 A CB -1.183 17.825 19.000 0.013 0.000 0.814 449 A HN 0.140 nan 8.150 nan 0.000 0.444 450 P HA -0.117 nan 4.420 nan 0.000 0.215 450 P C 1.784 179.097 177.300 0.020 0.000 1.157 450 P CA 0.715 63.826 63.100 0.019 0.000 0.859 450 P CB -0.118 31.595 31.700 0.021 0.000 0.786 451 L N -0.614 120.623 121.223 0.023 0.000 2.043 451 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 451 L C 2.456 179.334 176.870 0.013 0.000 1.075 451 L CA 1.836 56.691 54.840 0.026 0.000 0.752 451 L CB -0.267 41.811 42.059 0.031 0.000 0.891 451 L HN -0.176 nan 8.230 nan 0.000 0.432 452 R N -1.055 119.450 120.500 0.007 0.000 2.075 452 R HA -0.206 4.134 4.340 -0.000 0.000 0.232 452 R C 2.332 178.631 176.300 -0.001 0.000 1.126 452 R CA 1.545 57.642 56.100 -0.004 0.000 0.963 452 R CB -0.294 30.005 30.300 -0.002 0.000 0.858 452 R HN 0.365 nan 8.270 nan 0.000 0.435 453 Q N 1.050 120.854 119.800 0.006 0.000 2.084 453 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 453 Q C 1.811 177.818 176.000 0.012 0.000 0.978 453 Q CA 1.552 57.360 55.803 0.007 0.000 0.844 453 Q CB -0.149 28.595 28.738 0.009 0.000 0.898 453 Q HN 0.332 nan 8.270 nan 0.000 0.426 454 I N -0.750 119.831 120.570 0.019 0.000 2.208 454 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 454 I C 2.026 178.167 176.117 0.041 0.000 1.097 454 I CA 0.946 62.264 61.300 0.030 0.000 1.363 454 I CB -0.295 37.729 38.000 0.040 0.000 1.051 454 I HN 0.066 nan 8.210 nan 0.000 0.413 455 V N 0.495 120.425 119.914 0.027 0.000 2.295 455 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 455 V C 2.395 178.490 176.094 0.002 0.000 1.049 455 V CA 1.646 63.949 62.300 0.005 0.000 1.024 455 V CB -0.544 31.222 31.823 -0.095 0.000 0.648 455 V HN 0.335 nan 8.190 nan 0.000 0.447 456 L N 0.892 122.113 121.223 -0.004 0.000 2.042 456 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 456 L C 2.196 179.070 176.870 0.007 0.000 1.076 456 L CA 1.995 56.834 54.840 -0.001 0.000 0.749 456 L CB -0.888 41.170 42.059 -0.002 0.000 0.893 456 L HN 0.340 nan 8.230 nan 0.000 0.432 457 N N -1.293 117.413 118.700 0.011 0.000 2.289 457 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 457 N C 1.763 177.282 175.510 0.015 0.000 1.016 457 N CA 1.521 54.577 53.050 0.011 0.000 0.872 457 N CB -0.773 37.721 38.487 0.010 0.000 0.973 457 N HN 0.430 nan 8.380 nan 0.000 0.433 458 C N -0.646 118.671 119.300 0.027 0.000 2.456 458 C HA 0.187 4.647 4.460 -0.000 0.000 0.279 458 C C 1.775 176.781 174.990 0.027 0.000 1.427 458 C CA 0.515 59.555 59.018 0.036 0.000 1.778 458 C CB -1.236 26.554 27.740 0.084 0.000 1.842 458 C HN 0.635 nan 8.230 nan 0.000 0.531 459 G N 0.561 109.371 108.800 0.017 0.000 2.143 459 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.249 459 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.249 459 G C -0.172 174.735 174.900 0.011 0.000 0.981 459 G CA 0.294 45.402 45.100 0.012 0.000 0.665 459 G HN 0.507 nan 8.290 nan 0.000 0.528 460 E N 0.101 120.304 120.200 0.007 0.000 2.285 460 E HA 0.450 4.800 4.350 -0.000 0.000 0.254 460 E C 0.102 176.681 176.600 -0.036 0.000 1.011 460 E CA -0.761 55.631 56.400 -0.013 0.000 0.873 460 E CB 0.607 30.290 29.700 -0.029 0.000 1.229 460 E HN 0.461 nan 8.360 nan 0.000 0.422 461 E N 1.704 121.875 120.200 -0.049 0.000 2.052 461 E HA 0.116 4.466 4.350 -0.000 0.000 0.283 461 E C -1.698 174.864 176.600 -0.063 0.000 1.071 461 E CA -1.613 54.761 56.400 -0.042 0.000 0.851 461 E CB 0.862 30.547 29.700 -0.025 0.000 1.066 461 E HN 0.107 nan 8.360 nan 0.000 0.396 462 P HA -0.178 nan 4.420 nan 0.000 0.216 462 P C 1.164 178.440 177.300 -0.041 0.000 1.153 462 P CA 1.137 64.206 63.100 -0.052 0.000 0.858 462 P CB 0.353 32.036 31.700 -0.027 0.000 0.789 463 S N -1.249 114.436 115.700 -0.026 0.000 2.387 463 S HA -0.064 4.406 4.470 -0.000 0.000 0.226 463 S C 1.928 176.520 174.600 -0.013 0.000 1.026 463 S CA 0.757 58.948 58.200 -0.015 0.000 0.972 463 S CB -0.914 62.281 63.200 -0.009 0.000 0.814 463 S HN -0.078 nan 8.310 nan 0.000 0.477 464 V N 1.392 121.296 119.914 -0.018 0.000 2.261 464 V HA -0.134 3.985 4.120 -0.000 0.000 0.246 464 V C 2.300 178.395 176.094 0.002 0.000 1.047 464 V CA 1.546 63.842 62.300 -0.007 0.000 1.015 464 V CB -0.688 31.133 31.823 -0.004 0.000 0.642 464 V HN 0.328 nan 8.190 nan 0.000 0.446 465 V N 0.356 120.241 119.914 -0.047 0.000 2.295 465 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 465 V C 2.728 178.832 176.094 0.017 0.000 1.049 465 V CA 2.035 64.299 62.300 -0.059 0.000 1.024 465 V CB -1.275 30.318 31.823 -0.382 0.000 0.648 465 V HN 0.556 nan 8.190 nan 0.000 0.447 466 A N 0.420 123.236 122.820 -0.007 0.000 1.908 466 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 466 A C 2.078 179.684 177.584 0.037 0.000 1.181 466 A CA 2.558 54.608 52.037 0.020 0.000 0.627 466 A CB -0.940 18.064 19.000 0.007 0.000 0.818 466 A HN 0.621 nan 8.150 nan 0.000 0.445 467 N N -0.854 117.860 118.700 0.023 0.000 2.084 467 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 467 N C 1.708 177.235 175.510 0.029 0.000 1.030 467 N CA 2.286 55.348 53.050 0.020 0.000 0.849 467 N CB -0.343 38.148 38.487 0.007 0.000 1.012 467 N HN 0.417 nan 8.380 nan 0.000 0.423 468 T N -0.549 114.025 114.554 0.034 0.000 2.777 468 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 468 T C 1.958 176.731 174.700 0.122 0.000 1.040 468 T CA 1.149 63.253 62.100 0.007 0.000 1.141 468 T CB -0.376 68.426 68.868 -0.110 0.000 0.868 468 T HN 0.006 nan 8.240 nan 0.000 0.444 469 V N 1.733 121.760 119.914 0.187 0.000 2.295 469 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 469 V C 2.455 178.667 176.094 0.196 0.000 1.049 469 V CA 1.549 64.000 62.300 0.252 0.000 1.024 469 V CB -0.499 31.435 31.823 0.185 0.000 0.648 469 V HN 0.468 nan 8.190 nan 0.000 0.447 470 K N 0.237 120.704 120.400 0.110 0.000 2.211 470 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 470 K C 2.026 178.657 176.600 0.052 0.000 1.047 470 K CA 1.430 57.760 56.287 0.072 0.000 0.935 470 K CB -0.477 32.049 32.500 0.043 0.000 0.728 470 K HN 0.592 nan 8.250 nan 0.000 0.452 471 G N 0.658 109.483 108.800 0.042 0.000 2.712 471 G HA2 0.023 3.983 3.960 -0.000 0.000 0.212 471 G HA3 0.023 3.983 3.960 -0.000 0.000 0.212 471 G C 0.663 175.528 174.900 -0.058 0.000 1.142 471 G CA 0.346 45.438 45.100 -0.013 0.000 0.789 471 G HN 0.332 nan 8.290 nan 0.000 0.535 472 G N -0.207 108.572 108.800 -0.034 0.000 2.583 472 G HA2 0.538 4.498 3.960 -0.000 0.000 0.280 472 G HA3 0.538 4.498 3.960 -0.000 0.000 0.280 472 G C -0.854 174.036 174.900 -0.016 0.000 1.376 472 G CA -0.079 44.917 45.100 -0.174 0.000 1.043 472 G HN 0.323 nan 8.290 nan 0.000 0.538 473 D N -3.457 116.938 120.400 -0.008 0.000 2.752 473 D HA 0.585 5.225 4.640 -0.000 0.000 0.313 473 D C 0.743 177.099 176.300 0.093 0.000 1.225 473 D CA 0.223 54.254 54.000 0.053 0.000 0.976 473 D CB 0.433 41.242 40.800 0.015 0.000 1.443 473 D HN 1.364 nan 8.370 nan 0.000 0.515 474 G N 0.245 109.088 108.800 0.072 0.000 2.611 474 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.301 474 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.301 474 G C 0.287 175.247 174.900 0.099 0.000 1.233 474 G CA 0.565 45.708 45.100 0.072 0.000 0.993 474 G HN 0.737 nan 8.290 nan 0.000 0.553 475 N N -0.092 118.670 118.700 0.102 0.000 2.370 475 N HA 0.250 4.990 4.740 -0.000 0.000 0.198 475 N C 0.353 175.949 175.510 0.145 0.000 1.156 475 N CA -0.066 53.044 53.050 0.100 0.000 0.839 475 N CB 0.171 38.700 38.487 0.070 0.000 0.989 475 N HN 0.480 nan 8.380 nan 0.000 0.468 476 Y N 1.445 121.778 120.300 0.055 0.000 2.620 476 Y HA 0.285 4.835 4.550 -0.000 0.000 0.330 476 Y C 0.828 176.798 175.900 0.117 0.000 1.186 476 Y CA 0.461 58.610 58.100 0.081 0.000 1.467 476 Y CB 0.121 38.618 38.460 0.063 0.000 1.262 476 Y HN 0.049 nan 8.280 nan 0.000 0.550 477 G N 3.692 112.284 108.800 -0.346 0.000 2.570 477 G HA2 0.236 4.196 3.960 -0.000 0.000 0.310 477 G HA3 0.236 4.196 3.960 -0.000 0.000 0.310 477 G C -2.458 172.367 174.900 -0.125 0.000 1.266 477 G CA -0.908 44.090 45.100 -0.169 0.000 0.825 477 G HN 0.519 nan 8.290 nan 0.000 0.483 478 Y N 1.576 121.758 120.300 -0.196 0.000 2.335 478 Y HA 0.615 5.165 4.550 -0.000 0.000 0.338 478 Y C -0.186 175.562 175.900 -0.253 0.000 0.977 478 Y CA -1.514 56.368 58.100 -0.362 0.000 1.114 478 Y CB 1.637 39.874 38.460 -0.371 0.000 1.182 478 Y HN 0.429 nan 8.280 nan 0.000 0.463 479 N N 4.635 122.919 118.700 -0.694 0.000 2.439 479 N HA 0.202 4.942 4.740 -0.000 0.000 0.243 479 N C 0.314 175.374 175.510 -0.749 0.000 1.088 479 N CA 0.536 53.270 53.050 -0.527 0.000 0.940 479 N CB 1.389 39.665 38.487 -0.352 0.000 1.180 479 N HN 0.885 nan 8.380 nan 0.000 0.505 480 A N 3.697 126.240 122.820 -0.463 0.000 2.066 480 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 480 A C 2.014 179.469 177.584 -0.215 0.000 1.157 480 A CA 1.343 53.193 52.037 -0.312 0.000 0.670 480 A CB -0.393 18.574 19.000 -0.055 0.000 0.804 480 A HN 0.703 nan 8.150 nan 0.000 0.453 481 A N -0.141 122.567 122.820 -0.187 0.000 1.898 481 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 481 A C 2.295 179.794 177.584 -0.142 0.000 1.181 481 A CA 2.331 54.290 52.037 -0.130 0.000 0.620 481 A CB -0.927 18.013 19.000 -0.100 0.000 0.819 481 A HN 0.721 nan 8.150 nan 0.000 0.442 482 T N -3.807 110.628 114.554 -0.197 0.000 3.040 482 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 482 T C 0.238 174.818 174.700 -0.200 0.000 1.058 482 T CA 0.587 62.589 62.100 -0.163 0.000 0.988 482 T CB -0.174 68.606 68.868 -0.146 0.000 0.993 482 T HN 0.555 nan 8.240 nan 0.000 0.519 483 E N 1.469 121.461 120.200 -0.347 0.000 2.320 483 E HA -0.135 4.215 4.350 -0.000 0.000 0.234 483 E C -0.802 175.581 176.600 -0.360 0.000 1.183 483 E CA 0.438 56.593 56.400 -0.409 0.000 0.713 483 E CB -0.960 28.689 29.700 -0.084 0.000 1.226 483 E HN 0.659 nan 8.360 nan 0.000 0.382 484 E N -0.363 119.532 120.200 -0.507 0.000 2.343 484 E HA 0.379 4.729 4.350 -0.000 0.000 0.270 484 E C -0.574 175.787 176.600 -0.397 0.000 0.895 484 E CA -0.745 55.488 56.400 -0.279 0.000 0.767 484 E CB 1.056 30.683 29.700 -0.121 0.000 1.248 484 E HN 0.056 nan 8.360 nan 0.000 0.440 485 Y N -0.114 120.162 120.300 -0.040 0.000 2.316 485 Y HA 0.606 5.156 4.550 -0.000 0.000 0.324 485 Y C 1.170 177.008 175.900 -0.104 0.000 1.267 485 Y CA 0.461 58.492 58.100 -0.114 0.000 1.311 485 Y CB 1.713 40.141 38.460 -0.055 0.000 1.267 485 Y HN 0.684 nan 8.280 nan 0.000 0.516 486 G N 0.677 109.467 108.800 -0.016 0.000 2.325 486 G HA2 0.006 3.966 3.960 -0.000 0.000 0.295 486 G HA3 0.006 3.966 3.960 -0.000 0.000 0.295 486 G C -1.975 172.949 174.900 0.040 0.000 1.274 486 G CA -1.159 43.979 45.100 0.064 0.000 0.857 486 G HN 0.508 nan 8.290 nan 0.000 0.499 487 N N 0.908 119.656 118.700 0.080 0.000 2.422 487 N HA 0.163 4.903 4.740 -0.000 0.000 0.264 487 N C 1.583 177.109 175.510 0.025 0.000 1.063 487 N CA -0.542 52.555 53.050 0.078 0.000 0.959 487 N CB 0.989 39.525 38.487 0.083 0.000 1.087 487 N HN 0.361 nan 8.380 nan 0.000 0.483 488 M N 3.347 122.956 119.600 0.016 0.000 2.175 488 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 488 M C 1.552 177.854 176.300 0.002 0.000 1.063 488 M CA 0.890 56.187 55.300 -0.004 0.000 1.119 488 M CB -0.615 31.984 32.600 -0.002 0.000 1.377 488 M HN 0.514 nan 8.290 nan 0.000 0.415 489 I N 1.061 121.640 120.570 0.016 0.000 2.142 489 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 489 I C 1.950 178.073 176.117 0.011 0.000 1.078 489 I CA 1.511 62.819 61.300 0.014 0.000 1.343 489 I CB -1.831 36.182 38.000 0.021 0.000 1.046 489 I HN 0.228 nan 8.210 nan 0.000 0.405 490 D N 0.408 120.817 120.400 0.016 0.000 2.182 490 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 490 D C 2.177 178.478 176.300 0.002 0.000 0.986 490 D CA 1.136 55.143 54.000 0.012 0.000 0.847 490 D CB -0.216 40.596 40.800 0.020 0.000 0.942 490 D HN 0.366 nan 8.370 nan 0.000 0.467 491 M N -0.751 118.846 119.600 -0.005 0.000 2.561 491 M HA 0.153 4.632 4.480 -0.000 0.000 0.238 491 M C 0.964 177.251 176.300 -0.021 0.000 1.131 491 M CA 0.379 55.667 55.300 -0.020 0.000 1.046 491 M CB 0.513 33.090 32.600 -0.039 0.000 1.532 491 M HN 0.040 nan 8.290 nan 0.000 0.497 492 G N 2.293 111.086 108.800 -0.012 0.000 2.221 492 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.265 492 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.265 492 G C -0.095 174.796 174.900 -0.014 0.000 1.041 492 G CA -0.141 44.952 45.100 -0.010 0.000 0.807 492 G HN 0.537 nan 8.290 nan 0.000 0.502 493 I N 0.829 121.388 120.570 -0.017 0.000 2.310 493 I HA 0.470 4.640 4.170 -0.000 0.000 0.287 493 I C 0.481 176.595 176.117 -0.005 0.000 1.073 493 I CA -0.493 60.796 61.300 -0.018 0.000 1.216 493 I CB 0.596 38.576 38.000 -0.033 0.000 1.415 493 I HN -0.008 nan 8.210 nan 0.000 0.480 494 L N 4.954 126.177 121.223 0.000 0.000 2.354 494 L HA 0.646 4.986 4.340 -0.000 0.000 0.269 494 L C -1.003 175.874 176.870 0.011 0.000 1.005 494 L CA -0.919 53.926 54.840 0.008 0.000 0.819 494 L CB 2.174 44.239 42.059 0.009 0.000 1.311 494 L HN 0.354 nan 8.230 nan 0.000 0.423 495 D N 1.476 121.885 120.400 0.016 0.000 2.481 495 D HA 0.404 5.044 4.640 -0.000 0.000 0.244 495 D C -2.576 173.738 176.300 0.022 0.000 1.057 495 D CA -1.502 52.511 54.000 0.021 0.000 0.848 495 D CB 2.275 43.088 40.800 0.022 0.000 1.388 495 D HN 0.124 nan 8.370 nan 0.000 0.475 496 P HA 0.088 nan 4.420 nan 0.000 0.267 496 P C 0.795 178.110 177.300 0.024 0.000 1.205 496 P CA -0.032 63.082 63.100 0.024 0.000 0.765 496 P CB 0.652 32.370 31.700 0.030 0.000 0.828 497 T N 2.406 116.972 114.554 0.019 0.000 2.778 497 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 497 T C 1.594 176.306 174.700 0.021 0.000 1.050 497 T CA 1.426 63.536 62.100 0.018 0.000 1.137 497 T CB -0.295 68.581 68.868 0.013 0.000 0.860 497 T HN 0.506 nan 8.240 nan 0.000 0.468 498 K N 0.841 121.254 120.400 0.022 0.000 2.097 498 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 498 K C 2.394 179.021 176.600 0.045 0.000 1.049 498 K CA 1.291 57.595 56.287 0.027 0.000 0.933 498 K CB -0.263 32.250 32.500 0.022 0.000 0.717 498 K HN 0.327 nan 8.250 nan 0.000 0.442 499 V N -0.128 119.815 119.914 0.048 0.000 2.407 499 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 499 V C 1.691 177.819 176.094 0.056 0.000 1.041 499 V CA 2.273 64.610 62.300 0.061 0.000 1.040 499 V CB -0.516 31.345 31.823 0.063 0.000 0.671 499 V HN 0.329 nan 8.190 nan 0.000 0.455 500 T N 0.477 115.056 114.554 0.041 0.000 2.777 500 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 500 T C 1.974 176.693 174.700 0.032 0.000 1.040 500 T CA 2.029 64.150 62.100 0.035 0.000 1.141 500 T CB -0.374 68.510 68.868 0.027 0.000 0.868 500 T HN 0.583 nan 8.240 nan 0.000 0.444 501 R N 0.950 121.465 120.500 0.025 0.000 2.073 501 R HA -0.094 4.245 4.340 -0.000 0.000 0.234 501 R C 2.574 178.878 176.300 0.007 0.000 1.134 501 R CA 1.766 57.871 56.100 0.009 0.000 0.952 501 R CB -0.385 29.916 30.300 0.001 0.000 0.850 501 R HN 0.249 nan 8.270 nan 0.000 0.433 502 S N 0.593 116.321 115.700 0.047 0.000 2.370 502 S HA -0.171 4.298 4.470 -0.000 0.000 0.226 502 S C 2.015 176.714 174.600 0.166 0.000 1.033 502 S CA 1.290 59.559 58.200 0.115 0.000 1.011 502 S CB -0.297 63.030 63.200 0.211 0.000 0.852 502 S HN 0.583 nan 8.310 nan 0.000 0.457 503 A N 1.339 124.231 122.820 0.121 0.000 1.877 503 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 503 A C 2.147 179.784 177.584 0.089 0.000 1.186 503 A CA 1.456 53.562 52.037 0.115 0.000 0.620 503 A CB -0.751 18.293 19.000 0.073 0.000 0.822 503 A HN 0.413 nan 8.150 nan 0.000 0.443 504 L N -0.261 120.990 121.223 0.046 0.000 2.056 504 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 504 L C 2.422 179.286 176.870 -0.009 0.000 1.078 504 L CA 2.243 57.095 54.840 0.020 0.000 0.749 504 L CB -0.669 41.394 42.059 0.006 0.000 0.901 504 L HN 0.501 nan 8.230 nan 0.000 0.433 505 Q N -2.048 117.713 119.800 -0.064 0.000 2.123 505 Q HA -0.171 4.169 4.340 -0.000 0.000 0.199 505 Q C 2.098 177.970 176.000 -0.213 0.000 0.966 505 Q CA 1.628 57.328 55.803 -0.172 0.000 0.845 505 Q CB -0.182 28.379 28.738 -0.296 0.000 0.907 505 Q HN 0.517 nan 8.270 nan 0.000 0.439 506 Y N 0.219 120.523 120.300 0.006 0.000 2.263 506 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 506 Y C 2.349 178.252 175.900 0.005 0.000 1.130 506 Y CA 0.812 58.915 58.100 0.005 0.000 1.179 506 Y CB -0.660 37.803 38.460 0.005 0.000 0.998 506 Y HN 0.117 nan 8.280 nan 0.000 0.532 507 A N 0.357 123.265 122.820 0.147 0.000 1.859 507 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 507 A C 2.489 180.106 177.584 0.055 0.000 1.198 507 A CA 2.473 54.560 52.037 0.084 0.000 0.629 507 A CB -1.373 17.663 19.000 0.060 0.000 0.830 507 A HN 0.401 nan 8.150 nan 0.000 0.446 508 A N -1.025 121.812 122.820 0.030 0.000 1.933 508 A HA -0.073 4.246 4.320 -0.000 0.000 0.218 508 A C 2.484 180.077 177.584 0.014 0.000 1.175 508 A CA 2.218 54.263 52.037 0.013 0.000 0.628 508 A CB -0.961 18.035 19.000 -0.006 0.000 0.814 508 A HN 0.679 nan 8.150 nan 0.000 0.444 509 S N -0.529 115.180 115.700 0.014 0.000 2.359 509 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 509 S C 1.875 176.504 174.600 0.048 0.000 1.035 509 S CA 1.889 60.104 58.200 0.025 0.000 1.018 509 S CB -0.471 62.746 63.200 0.029 0.000 0.876 509 S HN 0.297 nan 8.310 nan 0.000 0.448 510 V N 2.015 121.971 119.914 0.071 0.000 2.548 510 V HA 0.030 4.150 4.120 -0.000 0.000 0.249 510 V C 2.878 178.995 176.094 0.038 0.000 1.055 510 V CA 1.407 63.742 62.300 0.057 0.000 1.065 510 V CB -1.261 30.600 31.823 0.063 0.000 0.681 510 V HN 0.614 nan 8.190 nan 0.000 0.462 511 A N 0.706 123.548 122.820 0.036 0.000 1.933 511 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 511 A C 2.380 179.977 177.584 0.021 0.000 1.175 511 A CA 1.921 53.974 52.037 0.026 0.000 0.628 511 A CB -1.034 17.980 19.000 0.023 0.000 0.814 511 A HN 0.519 nan 8.150 nan 0.000 0.444 512 G N -0.296 108.515 108.800 0.019 0.000 2.394 512 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 512 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 512 G C 1.532 176.442 174.900 0.016 0.000 1.165 512 G CA 0.872 45.981 45.100 0.015 0.000 0.784 512 G HN 0.424 nan 8.290 nan 0.000 0.535 513 L N -0.007 121.228 121.223 0.020 0.000 2.042 513 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 513 L C 3.105 179.986 176.870 0.019 0.000 1.076 513 L CA 1.208 56.060 54.840 0.020 0.000 0.749 513 L CB -0.342 41.731 42.059 0.023 0.000 0.893 513 L HN 0.257 nan 8.230 nan 0.000 0.432 514 M N -0.878 118.734 119.600 0.020 0.000 2.200 514 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 514 M C 2.262 178.572 176.300 0.017 0.000 1.066 514 M CA 1.599 56.910 55.300 0.019 0.000 1.127 514 M CB -0.323 32.289 32.600 0.020 0.000 1.379 514 M HN 0.187 nan 8.290 nan 0.000 0.420 515 I N 0.554 121.134 120.570 0.016 0.000 2.567 515 I HA -0.204 3.966 4.170 -0.000 0.000 0.257 515 I C 1.614 177.741 176.117 0.015 0.000 1.184 515 I CA 1.306 62.615 61.300 0.015 0.000 1.451 515 I CB -0.382 37.626 38.000 0.013 0.000 1.089 515 I HN 0.403 nan 8.210 nan 0.000 0.441 516 T N -3.933 110.630 114.554 0.016 0.000 3.174 516 T HA 0.160 4.510 4.350 -0.000 0.000 0.269 516 T C 0.575 175.287 174.700 0.019 0.000 1.017 516 T CA -0.284 61.826 62.100 0.017 0.000 0.899 516 T CB -0.258 68.619 68.868 0.015 0.000 1.077 516 T HN -0.089 nan 8.240 nan 0.000 0.552 517 T N 2.652 117.217 114.554 0.017 0.000 2.794 517 T HA 0.254 4.604 4.350 -0.000 0.000 0.296 517 T C 0.737 175.448 174.700 0.018 0.000 0.949 517 T CA -0.280 61.829 62.100 0.015 0.000 1.101 517 T CB 1.241 70.116 68.868 0.012 0.000 0.905 517 T HN 0.067 nan 8.240 nan 0.000 0.516 518 E N 0.841 121.055 120.200 0.023 0.000 2.447 518 E HA 0.175 4.525 4.350 -0.000 0.000 0.204 518 E C 0.031 176.638 176.600 0.011 0.000 0.977 518 E CA 0.034 56.463 56.400 0.049 0.000 0.950 518 E CB 0.427 30.182 29.700 0.092 0.000 0.975 518 E HN 0.591 nan 8.360 nan 0.000 0.496 519 C N 0.507 119.764 119.300 -0.071 0.000 2.891 519 C HA 0.671 5.131 4.460 -0.000 0.000 0.342 519 C C -1.355 173.537 174.990 -0.165 0.000 1.126 519 C CA -0.721 58.140 59.018 -0.263 0.000 1.322 519 C CB 0.051 27.578 27.740 -0.355 0.000 1.763 519 C HN 0.137 nan 8.230 nan 0.000 0.491 520 M N 5.311 124.816 119.600 -0.158 0.000 2.395 520 M HA 0.669 5.149 4.480 -0.000 0.000 0.307 520 M C -1.028 175.331 176.300 0.099 0.000 1.091 520 M CA -0.652 54.671 55.300 0.039 0.000 0.919 520 M CB 2.130 34.872 32.600 0.237 0.000 1.662 520 M HN 0.374 nan 8.290 nan 0.000 0.440 521 V N 0.993 120.928 119.914 0.035 0.000 2.531 521 V HA 0.790 4.910 4.120 -0.000 0.000 0.301 521 V C -0.390 175.638 176.094 -0.110 0.000 1.034 521 V CA -0.419 61.877 62.300 -0.006 0.000 0.865 521 V CB 1.975 33.779 31.823 -0.030 0.000 0.995 521 V HN 0.968 nan 8.190 nan 0.000 0.424 522 T N 1.711 116.153 114.554 -0.186 0.000 2.821 522 T HA 0.388 4.738 4.350 -0.000 0.000 0.306 522 T C -1.454 173.135 174.700 -0.184 0.000 1.313 522 T CA -0.570 61.364 62.100 -0.276 0.000 1.012 522 T CB 1.866 70.376 68.868 -0.596 0.000 1.298 522 T HN 0.646 nan 8.240 nan 0.000 0.502 523 D N 1.978 122.287 120.400 -0.152 0.000 2.443 523 D HA 0.245 4.885 4.640 -0.000 0.000 0.239 523 D C 0.089 176.333 176.300 -0.092 0.000 1.136 523 D CA -0.076 53.867 54.000 -0.095 0.000 0.879 523 D CB 0.354 41.108 40.800 -0.077 0.000 1.195 523 D HN 0.243 nan 8.370 nan 0.000 0.443 524 L N 4.180 125.378 121.223 -0.040 0.000 2.453 524 L HA 0.164 4.504 4.340 -0.000 0.000 0.272 524 L C -1.883 174.975 176.870 -0.020 0.000 1.182 524 L CA -1.420 53.413 54.840 -0.012 0.000 0.858 524 L CB -0.120 41.943 42.059 0.007 0.000 1.120 524 L HN 0.263 nan 8.230 nan 0.000 0.474 525 P HA 0.162 nan 4.420 nan 0.000 0.263 525 P C -0.760 176.538 177.300 -0.004 0.000 1.345 525 P CA 0.281 63.374 63.100 -0.011 0.000 1.119 525 P CB 0.189 31.892 31.700 0.005 0.000 1.363 526 K N 0.000 120.394 120.400 -0.010 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543