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 3e76_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 2.949 125.766 122.820 -0.004 0.000 2.477 3 A HA 0.578 4.898 4.320 -0.000 0.000 0.246 3 A C 0.266 177.846 177.584 -0.006 0.000 1.078 3 A CA 0.304 52.341 52.037 0.000 0.000 0.770 3 A CB 0.138 19.140 19.000 0.004 0.000 1.011 3 A HN 0.624 nan 8.150 nan 0.000 0.494 4 K N 1.394 121.794 120.400 -0.000 0.000 2.267 4 K HA 0.440 4.760 4.320 -0.000 0.000 0.246 4 K C -1.429 175.180 176.600 0.015 0.000 0.954 4 K CA -0.714 55.568 56.287 -0.008 0.000 0.824 4 K CB 2.078 34.571 32.500 -0.011 0.000 1.167 4 K HN 0.755 nan 8.250 nan 0.000 0.431 5 D N 0.962 121.372 120.400 0.017 0.000 2.278 5 D HA 0.401 5.041 4.640 -0.000 0.000 0.245 5 D C -1.343 175.055 176.300 0.162 0.000 1.052 5 D CA -0.605 53.456 54.000 0.102 0.000 0.834 5 D CB 1.476 42.369 40.800 0.154 0.000 1.194 5 D HN 0.071 nan 8.370 nan 0.000 0.481 6 V N 4.139 124.125 119.914 0.119 0.000 2.531 6 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 6 V C -0.062 175.913 176.094 -0.199 0.000 1.034 6 V CA -0.813 61.465 62.300 -0.036 0.000 0.865 6 V CB 1.794 33.523 31.823 -0.157 0.000 0.995 6 V HN 0.413 nan 8.190 nan 0.000 0.424 7 K N 3.730 123.929 120.400 -0.335 0.000 2.259 7 K HA 0.743 5.063 4.320 -0.000 0.000 0.252 7 K C -1.582 174.695 176.600 -0.540 0.000 0.936 7 K CA -0.496 55.521 56.287 -0.450 0.000 0.810 7 K CB 2.333 34.419 32.500 -0.691 0.000 1.143 7 K HN 0.446 nan 8.250 nan 0.000 0.427 8 F N 0.366 120.273 119.950 -0.073 0.000 2.522 8 F HA 0.420 4.947 4.527 -0.000 0.000 0.324 8 F C 1.224 176.996 175.800 -0.047 0.000 1.077 8 F CA 0.107 58.085 58.000 -0.038 0.000 0.944 8 F CB 1.757 40.744 39.000 -0.021 0.000 1.175 8 F HN 0.838 nan 8.300 nan 0.000 0.468 9 G N 2.444 111.351 108.800 0.178 0.000 2.634 9 G HA2 -0.421 3.538 3.960 -0.000 0.000 0.309 9 G HA3 -0.421 3.538 3.960 -0.000 0.000 0.309 9 G C 1.276 176.197 174.900 0.036 0.000 1.265 9 G CA 0.696 45.852 45.100 0.093 0.000 0.998 9 G HN 0.689 nan 8.290 nan 0.000 0.551 10 N N 0.749 119.464 118.700 0.024 0.000 2.104 10 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 10 N C 1.873 177.372 175.510 -0.018 0.000 1.024 10 N CA 1.995 55.047 53.050 0.003 0.000 0.853 10 N CB -0.421 38.068 38.487 0.003 0.000 1.008 10 N HN 0.595 nan 8.380 nan 0.000 0.424 11 D N 0.351 120.735 120.400 -0.026 0.000 2.158 11 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 11 D C 1.521 177.741 176.300 -0.132 0.000 0.995 11 D CA 1.168 55.125 54.000 -0.072 0.000 0.846 11 D CB 0.093 40.851 40.800 -0.069 0.000 0.941 11 D HN 0.347 nan 8.370 nan 0.000 0.456 12 A N 0.444 123.192 122.820 -0.120 0.000 1.970 12 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 12 A C 2.314 179.854 177.584 -0.074 0.000 1.170 12 A CA 0.657 52.597 52.037 -0.162 0.000 0.645 12 A CB -0.223 18.705 19.000 -0.120 0.000 0.816 12 A HN 0.130 nan 8.150 nan 0.000 0.447 13 R N -0.222 120.257 120.500 -0.034 0.000 2.073 13 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 13 R C 2.111 178.406 176.300 -0.008 0.000 1.120 13 R CA 1.473 57.568 56.100 -0.008 0.000 0.967 13 R CB -0.548 29.753 30.300 0.003 0.000 0.862 13 R HN 0.535 nan 8.270 nan 0.000 0.436 14 V N -0.294 119.608 119.914 -0.021 0.000 2.594 14 V HA -0.172 3.948 4.120 -0.000 0.000 0.253 14 V C 1.712 177.800 176.094 -0.010 0.000 1.069 14 V CA 1.505 63.796 62.300 -0.015 0.000 1.082 14 V CB -0.403 31.408 31.823 -0.021 0.000 0.680 14 V HN 0.117 nan 8.190 nan 0.000 0.469 15 K N -0.207 120.181 120.400 -0.020 0.000 2.167 15 K HA 0.141 4.461 4.320 -0.000 0.000 0.203 15 K C 2.104 178.734 176.600 0.049 0.000 1.052 15 K CA 1.485 57.779 56.287 0.013 0.000 0.956 15 K CB -0.270 32.229 32.500 -0.001 0.000 0.735 15 K HN 0.512 nan 8.250 nan 0.000 0.451 16 M N 0.323 119.949 119.600 0.042 0.000 2.123 16 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 16 M C 2.231 178.550 176.300 0.031 0.000 1.069 16 M CA 1.065 56.393 55.300 0.046 0.000 1.133 16 M CB -0.264 32.361 32.600 0.041 0.000 1.356 16 M HN 0.017 nan 8.290 nan 0.000 0.415 17 L N 0.515 121.751 121.223 0.021 0.000 2.012 17 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 17 L C 2.454 179.334 176.870 0.017 0.000 1.073 17 L CA 1.945 56.795 54.840 0.017 0.000 0.748 17 L CB -0.592 41.473 42.059 0.011 0.000 0.891 17 L HN 0.160 nan 8.230 nan 0.000 0.431 18 R N -0.372 120.138 120.500 0.017 0.000 2.105 18 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 18 R C 2.126 178.440 176.300 0.022 0.000 1.135 18 R CA 1.702 57.813 56.100 0.018 0.000 0.967 18 R CB -1.037 29.274 30.300 0.018 0.000 0.861 18 R HN 0.519 nan 8.270 nan 0.000 0.442 19 G N -0.336 108.482 108.800 0.029 0.000 2.394 19 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 19 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 19 G C 1.422 176.335 174.900 0.022 0.000 1.176 19 G CA 0.879 45.996 45.100 0.030 0.000 0.786 19 G HN 0.330 nan 8.290 nan 0.000 0.533 20 V N -0.342 119.585 119.914 0.022 0.000 2.427 20 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 20 V C 2.269 178.372 176.094 0.014 0.000 1.051 20 V CA 2.055 64.365 62.300 0.018 0.000 1.048 20 V CB -0.731 31.103 31.823 0.019 0.000 0.666 20 V HN 0.153 nan 8.190 nan 0.000 0.456 21 N N 0.940 119.648 118.700 0.014 0.000 2.223 21 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 21 N C 1.707 177.222 175.510 0.009 0.000 1.016 21 N CA 1.631 54.688 53.050 0.011 0.000 0.863 21 N CB -0.550 37.943 38.487 0.010 0.000 0.983 21 N HN 0.517 nan 8.380 nan 0.000 0.429 22 V N 1.031 120.952 119.914 0.010 0.000 2.270 22 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 22 V C 2.361 178.459 176.094 0.007 0.000 1.043 22 V CA 1.060 63.365 62.300 0.009 0.000 1.014 22 V CB -0.548 31.281 31.823 0.010 0.000 0.645 22 V HN 0.226 nan 8.190 nan 0.000 0.447 23 L N 0.004 121.231 121.223 0.007 0.000 2.046 23 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 23 L C 2.489 179.362 176.870 0.004 0.000 1.077 23 L CA 1.863 56.705 54.840 0.005 0.000 0.747 23 L CB -0.487 41.575 42.059 0.005 0.000 0.896 23 L HN 0.310 nan 8.230 nan 0.000 0.432 24 A N -0.422 122.402 122.820 0.006 0.000 1.855 24 A HA -0.241 4.079 4.320 -0.000 0.000 0.215 24 A C 1.869 179.455 177.584 0.004 0.000 1.191 24 A CA 1.965 54.005 52.037 0.006 0.000 0.613 24 A CB -0.803 18.201 19.000 0.008 0.000 0.829 24 A HN 0.484 nan 8.150 nan 0.000 0.442 25 D N 0.047 120.450 120.400 0.004 0.000 2.218 25 D HA 0.007 4.647 4.640 -0.000 0.000 0.204 25 D C 1.951 178.252 176.300 0.002 0.000 0.976 25 D CA 1.309 55.311 54.000 0.003 0.000 0.853 25 D CB -0.265 40.537 40.800 0.004 0.000 0.939 25 D HN 0.447 nan 8.370 nan 0.000 0.481 26 A N -0.138 122.683 122.820 0.002 0.000 2.067 26 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 26 A C 2.194 179.777 177.584 -0.001 0.000 1.156 26 A CA 0.614 52.651 52.037 0.000 0.000 0.683 26 A CB 0.093 19.093 19.000 0.000 0.000 0.808 26 A HN 0.160 nan 8.150 nan 0.000 0.455 27 V N 0.396 120.309 119.914 -0.001 0.000 2.788 27 V HA -0.104 4.016 4.120 -0.000 0.000 0.241 27 V C 2.282 178.375 176.094 -0.002 0.000 1.083 27 V CA 1.503 63.801 62.300 -0.003 0.000 1.103 27 V CB -0.240 31.580 31.823 -0.004 0.000 0.800 27 V HN 0.771 nan 8.190 nan 0.000 0.476 28 K N 1.895 122.296 120.400 0.000 0.000 2.360 28 K HA -0.112 4.208 4.320 -0.000 0.000 0.201 28 K C 1.694 178.295 176.600 0.001 0.000 1.046 28 K CA 1.816 58.104 56.287 0.001 0.000 0.945 28 K CB -0.624 31.878 32.500 0.002 0.000 0.750 28 K HN 0.489 nan 8.250 nan 0.000 0.464 29 V N -0.432 119.482 119.914 -0.000 0.000 3.141 29 V HA -0.073 4.047 4.120 -0.000 0.000 0.265 29 V C 1.805 177.899 176.094 -0.001 0.000 1.126 29 V CA 1.394 63.694 62.300 -0.000 0.000 1.141 29 V CB -0.864 30.959 31.823 -0.000 0.000 0.743 29 V HN 0.523 nan 8.190 nan 0.000 0.492 30 T N -2.269 112.284 114.554 -0.002 0.000 3.186 30 T HA 0.416 4.766 4.350 -0.000 0.000 0.257 30 T C 0.114 174.812 174.700 -0.003 0.000 1.029 30 T CA -0.312 61.786 62.100 -0.003 0.000 0.916 30 T CB 0.005 68.870 68.868 -0.005 0.000 1.041 30 T HN 0.288 nan 8.240 nan 0.000 0.562 31 L N 2.325 123.548 121.223 -0.001 0.000 2.371 31 L HA 0.673 5.012 4.340 -0.000 0.000 0.272 31 L C 0.877 177.748 176.870 0.002 0.000 1.124 31 L CA 1.504 56.345 54.840 0.001 0.000 0.816 31 L CB 0.145 42.206 42.059 0.003 0.000 1.129 31 L HN 0.661 nan 8.230 nan 0.000 0.448 32 G N 4.397 113.198 108.800 0.002 0.000 2.741 32 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.222 32 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.222 32 G C -2.168 172.730 174.900 -0.003 0.000 1.364 32 G CA -0.153 44.949 45.100 0.002 0.000 0.866 32 G HN 0.643 nan 8.290 nan 0.000 0.555 33 P HA 0.219 nan 4.420 nan 0.000 0.245 33 P C 0.926 178.220 177.300 -0.009 0.000 1.199 33 P CA 0.615 63.708 63.100 -0.012 0.000 0.807 33 P CB 0.328 32.015 31.700 -0.023 0.000 1.002 34 K N 0.827 121.226 120.400 -0.002 0.000 2.520 34 K HA 0.244 4.564 4.320 -0.000 0.000 0.205 34 K C 1.097 177.699 176.600 0.003 0.000 1.035 34 K CA -0.082 56.207 56.287 0.003 0.000 1.188 34 K CB -0.215 32.294 32.500 0.014 0.000 0.894 34 K HN 0.100 nan 8.250 nan 0.000 0.497 35 G N 1.249 110.049 108.800 0.000 0.000 2.614 35 G HA2 0.093 4.053 3.960 -0.000 0.000 0.239 35 G HA3 0.093 4.053 3.960 -0.000 0.000 0.239 35 G C 0.073 174.972 174.900 -0.002 0.000 1.240 35 G CA -0.426 44.673 45.100 -0.001 0.000 0.842 35 G HN 0.092 nan 8.290 nan 0.000 0.584 36 R N 0.257 120.756 120.500 -0.001 0.000 2.643 36 R HA 0.294 4.634 4.340 -0.000 0.000 0.272 36 R C -0.554 175.745 176.300 -0.003 0.000 0.995 36 R CA -1.035 55.064 56.100 -0.002 0.000 1.032 36 R CB 0.781 31.080 30.300 -0.001 0.000 1.126 36 R HN 0.495 nan 8.270 nan 0.000 0.505 37 N N -0.384 118.315 118.700 -0.002 0.000 2.499 37 N HA 0.243 4.983 4.740 -0.000 0.000 0.281 37 N C -0.877 174.632 175.510 -0.002 0.000 1.098 37 N CA -0.219 52.830 53.050 -0.003 0.000 0.979 37 N CB 1.207 39.693 38.487 -0.002 0.000 1.121 37 N HN 0.144 nan 8.380 nan 0.000 0.466 38 V N 2.367 122.279 119.914 -0.003 0.000 2.448 38 V HA 0.355 4.475 4.120 -0.000 0.000 0.295 38 V C -0.344 175.749 176.094 -0.001 0.000 1.025 38 V CA -0.818 61.481 62.300 -0.002 0.000 0.859 38 V CB 1.704 33.525 31.823 -0.003 0.000 0.988 38 V HN 0.331 nan 8.190 nan 0.000 0.431 39 V N 6.807 126.721 119.914 -0.000 0.000 2.407 39 V HA 0.463 4.583 4.120 -0.000 0.000 0.278 39 V C -0.146 175.949 176.094 0.002 0.000 1.037 39 V CA -0.422 61.879 62.300 0.001 0.000 0.900 39 V CB 1.321 33.145 31.823 0.001 0.000 0.983 39 V HN 0.614 nan 8.190 nan 0.000 0.459 40 L N 3.775 125.000 121.223 0.003 0.000 2.313 40 L HA 0.538 4.878 4.340 -0.000 0.000 0.283 40 L C -0.290 176.585 176.870 0.008 0.000 1.013 40 L CA -0.561 54.282 54.840 0.004 0.000 0.816 40 L CB 1.761 43.822 42.059 0.004 0.000 1.236 40 L HN 0.531 nan 8.230 nan 0.000 0.419 41 D N 2.963 123.368 120.400 0.008 0.000 2.302 41 D HA 0.294 4.934 4.640 -0.000 0.000 0.248 41 D C -0.660 175.651 176.300 0.018 0.000 1.094 41 D CA 0.120 54.125 54.000 0.010 0.000 0.897 41 D CB 0.981 41.783 40.800 0.004 0.000 1.200 41 D HN 0.335 nan 8.370 nan 0.000 0.429 42 K N 0.839 121.255 120.400 0.027 0.000 2.318 42 K HA 0.250 4.570 4.320 -0.000 0.000 0.249 42 K C 0.987 177.610 176.600 0.039 0.000 0.942 42 K CA -0.622 55.694 56.287 0.049 0.000 0.808 42 K CB 1.792 34.336 32.500 0.073 0.000 1.189 42 K HN 0.440 nan 8.250 nan 0.000 0.428 43 S N 1.346 117.072 115.700 0.043 0.000 2.368 43 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 43 S C 0.595 175.120 174.600 -0.126 0.000 1.030 43 S CA 0.778 58.946 58.200 -0.055 0.000 0.999 43 S CB -0.277 62.872 63.200 -0.085 0.000 0.844 43 S HN 0.415 nan 8.310 nan 0.000 0.459 44 F N 3.361 123.309 119.950 -0.004 0.000 2.404 44 F HA 0.564 5.091 4.527 -0.000 0.000 0.359 44 F C 1.605 177.403 175.800 -0.004 0.000 1.134 44 F CA 0.463 58.461 58.000 -0.004 0.000 1.160 44 F CB 0.465 39.463 39.000 -0.004 0.000 1.186 44 F HN 0.537 nan 8.300 nan 0.000 0.526 45 G N 2.319 111.186 108.800 0.111 0.000 2.550 45 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.277 45 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.277 45 G C 0.016 174.945 174.900 0.048 0.000 1.190 45 G CA -0.451 44.695 45.100 0.076 0.000 0.971 45 G HN 1.036 nan 8.290 nan 0.000 0.559 46 A N 1.650 124.497 122.820 0.044 0.000 2.445 46 A HA 0.652 4.972 4.320 -0.000 0.000 0.242 46 A C -1.336 176.265 177.584 0.028 0.000 1.075 46 A CA 0.242 52.295 52.037 0.028 0.000 0.777 46 A CB -0.172 18.841 19.000 0.023 0.000 1.013 46 A HN 0.711 nan 8.150 nan 0.000 0.493 47 P HA 0.337 nan 4.420 nan 0.000 0.274 47 P C -0.480 176.828 177.300 0.014 0.000 1.237 47 P CA -0.143 62.966 63.100 0.016 0.000 0.793 47 P CB 0.589 32.294 31.700 0.009 0.000 0.977 48 T N 2.158 116.719 114.554 0.012 0.000 2.743 48 T HA 0.465 4.815 4.350 -0.000 0.000 0.293 48 T C 0.335 175.037 174.700 0.004 0.000 0.945 48 T CA -0.232 61.873 62.100 0.008 0.000 1.030 48 T CB -0.165 68.708 68.868 0.008 0.000 0.912 48 T HN 0.174 nan 8.240 nan 0.000 0.483 49 I N 2.986 123.557 120.570 0.002 0.000 2.312 49 I HA 0.503 4.673 4.170 -0.000 0.000 0.290 49 I C 0.570 176.685 176.117 -0.002 0.000 1.008 49 I CA -0.358 60.942 61.300 0.000 0.000 1.226 49 I CB 1.408 39.408 38.000 0.000 0.000 1.371 49 I HN 0.508 nan 8.210 nan 0.000 0.468 50 T N 4.106 118.658 114.554 -0.003 0.000 2.868 50 T HA 0.397 4.747 4.350 -0.000 0.000 0.306 50 T C 0.215 174.911 174.700 -0.007 0.000 1.224 50 T CA -0.579 61.517 62.100 -0.006 0.000 1.012 50 T CB 1.813 70.676 68.868 -0.007 0.000 1.221 50 T HN 0.653 nan 8.240 nan 0.000 0.499 51 K N 0.643 121.038 120.400 -0.008 0.000 2.373 51 K HA 0.172 4.492 4.320 -0.000 0.000 0.200 51 K C -0.303 176.290 176.600 -0.012 0.000 1.054 51 K CA -0.194 56.087 56.287 -0.009 0.000 1.065 51 K CB 0.376 32.870 32.500 -0.009 0.000 0.886 51 K HN 0.488 nan 8.250 nan 0.000 0.546 52 D N 0.825 121.217 120.400 -0.014 0.000 2.368 52 D HA -0.004 4.636 4.640 -0.000 0.000 0.268 52 D C 1.223 177.512 176.300 -0.018 0.000 1.298 52 D CA 0.153 54.142 54.000 -0.019 0.000 0.938 52 D CB 0.975 41.761 40.800 -0.022 0.000 1.101 52 D HN 0.236 nan 8.370 nan 0.000 0.509 53 G N 2.572 111.361 108.800 -0.019 0.000 2.479 53 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 53 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 53 G C 1.431 176.318 174.900 -0.022 0.000 1.115 53 G CA 0.818 45.908 45.100 -0.018 0.000 0.757 53 G HN 0.488 nan 8.290 nan 0.000 0.560 54 V N 0.748 120.645 119.914 -0.028 0.000 2.323 54 V HA -0.124 3.996 4.120 -0.000 0.000 0.244 54 V C 2.960 179.039 176.094 -0.026 0.000 1.041 54 V CA 2.020 64.301 62.300 -0.032 0.000 1.025 54 V CB -0.714 31.085 31.823 -0.040 0.000 0.656 54 V HN 0.319 nan 8.190 nan 0.000 0.451 55 S N 0.284 115.971 115.700 -0.023 0.000 2.382 55 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 55 S C 2.011 176.603 174.600 -0.013 0.000 1.027 55 S CA 1.467 59.656 58.200 -0.018 0.000 0.991 55 S CB -0.193 62.998 63.200 -0.016 0.000 0.823 55 S HN 0.391 nan 8.310 nan 0.000 0.469 56 V N 1.818 121.725 119.914 -0.013 0.000 2.323 56 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 56 V C 2.650 178.738 176.094 -0.009 0.000 1.041 56 V CA 1.545 63.840 62.300 -0.009 0.000 1.025 56 V CB -1.223 30.595 31.823 -0.008 0.000 0.656 56 V HN 0.521 nan 8.190 nan 0.000 0.451 57 A N 0.038 122.851 122.820 -0.012 0.000 1.883 57 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 57 A C 2.375 179.952 177.584 -0.012 0.000 1.186 57 A CA 1.871 53.901 52.037 -0.012 0.000 0.624 57 A CB -0.576 18.413 19.000 -0.017 0.000 0.822 57 A HN 0.457 nan 8.150 nan 0.000 0.444 58 R N -0.601 119.889 120.500 -0.016 0.000 2.139 58 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 58 R C 1.765 178.059 176.300 -0.010 0.000 1.145 58 R CA 1.417 57.507 56.100 -0.015 0.000 0.976 58 R CB -0.234 30.054 30.300 -0.019 0.000 0.866 58 R HN 0.524 nan 8.270 nan 0.000 0.449 59 E N 0.253 120.448 120.200 -0.007 0.000 2.285 59 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 59 E C 0.617 177.216 176.600 -0.002 0.000 0.997 59 E CA 0.288 56.687 56.400 -0.003 0.000 0.845 59 E CB 0.122 29.821 29.700 -0.001 0.000 0.782 59 E HN 0.167 nan 8.360 nan 0.000 0.491 60 I N 2.000 122.569 120.570 -0.003 0.000 2.598 60 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 60 I C 0.428 176.544 176.117 -0.001 0.000 1.140 60 I CA 0.490 61.789 61.300 -0.001 0.000 1.420 60 I CB 0.007 38.006 38.000 -0.001 0.000 1.387 60 I HN -0.006 nan 8.210 nan 0.000 0.553 61 E N 6.956 127.155 120.200 -0.000 0.000 2.428 61 E HA 0.364 4.714 4.350 -0.000 0.000 0.307 61 E C -1.675 174.924 176.600 -0.001 0.000 0.902 61 E CA -0.505 55.894 56.400 -0.002 0.000 0.799 61 E CB 1.372 31.070 29.700 -0.003 0.000 1.351 61 E HN 0.460 nan 8.360 nan 0.000 0.392 62 L N 3.114 124.338 121.223 0.001 0.000 2.454 62 L HA 0.327 4.667 4.340 -0.000 0.000 0.256 62 L C 1.709 178.580 176.870 0.002 0.000 1.136 62 L CA -0.110 54.733 54.840 0.005 0.000 0.804 62 L CB 0.899 42.966 42.059 0.012 0.000 1.181 62 L HN 0.724 nan 8.230 nan 0.000 0.469 63 E N 0.451 120.655 120.200 0.006 0.000 2.021 63 E HA -0.155 4.195 4.350 -0.000 0.000 0.189 63 E C 0.119 176.724 176.600 0.008 0.000 0.980 63 E CA 0.427 56.830 56.400 0.004 0.000 0.803 63 E CB 0.197 29.901 29.700 0.008 0.000 0.766 63 E HN 0.705 nan 8.360 nan 0.000 0.449 64 D N 0.754 121.170 120.400 0.026 0.000 2.412 64 D HA -0.065 4.575 4.640 -0.000 0.000 0.257 64 D C 0.948 177.268 176.300 0.032 0.000 1.217 64 D CA 0.084 54.115 54.000 0.051 0.000 0.897 64 D CB 0.699 41.549 40.800 0.083 0.000 1.132 64 D HN -0.055 nan 8.370 nan 0.000 0.493 65 K N 3.273 123.657 120.400 -0.026 0.000 2.113 65 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 65 K C 1.623 178.113 176.600 -0.184 0.000 1.047 65 K CA 1.260 57.457 56.287 -0.150 0.000 0.928 65 K CB -0.305 32.027 32.500 -0.279 0.000 0.716 65 K HN 0.553 nan 8.250 nan 0.000 0.446 66 F N 1.483 121.422 119.950 -0.019 0.000 2.113 66 F HA -0.097 4.430 4.527 0.000 0.000 0.297 66 F C 2.410 178.201 175.800 -0.015 0.000 1.103 66 F CA 1.131 59.117 58.000 -0.022 0.000 1.248 66 F CB -0.400 38.585 39.000 -0.026 0.000 0.999 66 F HN 0.123 nan 8.300 nan 0.000 0.475 67 E N 0.026 120.330 120.200 0.174 0.000 2.058 67 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 67 E C 1.905 178.535 176.600 0.051 0.000 0.997 67 E CA 1.410 57.865 56.400 0.092 0.000 0.801 67 E CB -0.411 29.331 29.700 0.069 0.000 0.746 67 E HN 0.304 nan 8.360 nan 0.000 0.450 68 N N 0.810 119.527 118.700 0.027 0.000 2.061 68 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 68 N C 1.752 177.262 175.510 0.000 0.000 1.030 68 N CA 1.589 54.641 53.050 0.002 0.000 0.856 68 N CB -0.077 38.398 38.487 -0.021 0.000 1.023 68 N HN 0.086 nan 8.380 nan 0.000 0.424 69 M N -0.549 119.049 119.600 -0.004 0.000 2.065 69 M HA -0.070 4.410 4.480 -0.000 0.000 0.259 69 M C 2.235 178.547 176.300 0.020 0.000 1.069 69 M CA 1.883 57.182 55.300 -0.002 0.000 1.110 69 M CB -0.827 31.770 32.600 -0.006 0.000 1.328 69 M HN 0.353 nan 8.290 nan 0.000 0.405 70 G N -0.013 108.811 108.800 0.040 0.000 2.514 70 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 70 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 70 G C 1.607 176.522 174.900 0.025 0.000 1.198 70 G CA 1.335 46.458 45.100 0.038 0.000 0.780 70 G HN 0.566 nan 8.290 nan 0.000 0.565 71 A N -0.320 122.513 122.820 0.021 0.000 1.892 71 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 71 A C 2.366 179.956 177.584 0.009 0.000 1.188 71 A CA 2.137 54.182 52.037 0.014 0.000 0.631 71 A CB -0.440 18.567 19.000 0.012 0.000 0.822 71 A HN 0.356 nan 8.150 nan 0.000 0.447 72 Q N -1.124 118.680 119.800 0.006 0.000 2.291 72 Q HA -0.022 4.318 4.340 -0.000 0.000 0.205 72 Q C 2.047 178.051 176.000 0.006 0.000 0.970 72 Q CA 1.015 56.819 55.803 0.002 0.000 0.876 72 Q CB -0.278 28.457 28.738 -0.004 0.000 0.935 72 Q HN 0.789 nan 8.270 nan 0.000 0.455 73 M N -0.233 119.375 119.600 0.012 0.000 2.123 73 M HA -0.130 4.349 4.480 -0.000 0.000 0.263 73 M C 2.163 178.475 176.300 0.020 0.000 1.069 73 M CA 1.296 56.606 55.300 0.018 0.000 1.133 73 M CB -0.108 32.505 32.600 0.023 0.000 1.356 73 M HN 0.119 nan 8.290 nan 0.000 0.415 74 V N -2.329 117.596 119.914 0.018 0.000 2.970 74 V HA -0.125 3.995 4.120 -0.000 0.000 0.260 74 V C 1.936 178.035 176.094 0.008 0.000 1.100 74 V CA 1.409 63.720 62.300 0.018 0.000 1.122 74 V CB -0.952 30.882 31.823 0.018 0.000 0.721 74 V HN 0.412 nan 8.190 nan 0.000 0.483 75 K N 0.095 120.497 120.400 0.002 0.000 2.097 75 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 75 K C 2.268 178.858 176.600 -0.016 0.000 1.050 75 K CA 1.408 57.691 56.287 -0.008 0.000 0.938 75 K CB -0.120 32.375 32.500 -0.007 0.000 0.718 75 K HN 0.459 nan 8.250 nan 0.000 0.442 76 E N 0.446 120.642 120.200 -0.007 0.000 2.333 76 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 76 E C 1.747 178.331 176.600 -0.025 0.000 1.007 76 E CA 0.871 57.265 56.400 -0.010 0.000 0.845 76 E CB 0.238 29.944 29.700 0.010 0.000 0.766 76 E HN 0.166 nan 8.360 nan 0.000 0.507 77 V N 0.290 120.194 119.914 -0.018 0.000 2.374 77 V HA -0.046 4.074 4.120 -0.000 0.000 0.241 77 V C 2.481 178.508 176.094 -0.113 0.000 1.034 77 V CA 1.208 63.489 62.300 -0.032 0.000 1.037 77 V CB -1.011 30.837 31.823 0.042 0.000 0.682 77 V HN 0.169 nan 8.190 nan 0.000 0.463 78 A N 1.784 124.565 122.820 -0.065 0.000 1.884 78 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 78 A C 2.558 180.077 177.584 -0.108 0.000 1.197 78 A CA 3.137 55.130 52.037 -0.072 0.000 0.637 78 A CB -1.097 17.878 19.000 -0.041 0.000 0.827 78 A HN 0.734 nan 8.150 nan 0.000 0.450 79 S N -0.686 114.955 115.700 -0.098 0.000 2.402 79 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 79 S C 1.811 176.317 174.600 -0.157 0.000 1.021 79 S CA 1.464 59.604 58.200 -0.100 0.000 0.974 79 S CB -0.270 62.891 63.200 -0.065 0.000 0.800 79 S HN 0.618 nan 8.310 nan 0.000 0.484 80 K N 1.079 121.333 120.400 -0.244 0.000 2.186 80 K HA 0.267 4.587 4.320 -0.000 0.000 0.202 80 K C 2.482 178.697 176.600 -0.642 0.000 1.052 80 K CA 0.755 56.795 56.287 -0.413 0.000 0.965 80 K CB -0.360 31.857 32.500 -0.471 0.000 0.746 80 K HN 0.470 nan 8.250 nan 0.000 0.457 81 A N 1.762 124.236 122.820 -0.577 0.000 1.933 81 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 81 A C 1.864 179.334 177.584 -0.191 0.000 1.175 81 A CA 1.862 53.672 52.037 -0.379 0.000 0.628 81 A CB -0.621 18.265 19.000 -0.189 0.000 0.814 81 A HN 0.291 nan 8.150 nan 0.000 0.444 82 N N 0.196 118.799 118.700 -0.162 0.000 2.223 82 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 82 N C 1.027 176.481 175.510 -0.094 0.000 1.016 82 N CA 1.698 54.683 53.050 -0.109 0.000 0.863 82 N CB -0.200 38.229 38.487 -0.097 0.000 0.983 82 N HN 0.412 nan 8.380 nan 0.000 0.429 83 D N -0.612 119.718 120.400 -0.115 0.000 2.224 83 D HA 0.013 4.653 4.640 -0.000 0.000 0.205 83 D C 1.615 177.895 176.300 -0.033 0.000 0.965 83 D CA 0.927 54.882 54.000 -0.074 0.000 0.852 83 D CB -0.212 40.536 40.800 -0.087 0.000 0.947 83 D HN 0.414 nan 8.370 nan 0.000 0.494 84 A N 0.427 123.220 122.820 -0.044 0.000 1.903 84 A HA 0.291 4.611 4.320 -0.000 0.000 0.213 84 A C 2.034 179.650 177.584 0.054 0.000 1.185 84 A CA 1.754 53.813 52.037 0.035 0.000 0.628 84 A CB 0.026 19.090 19.000 0.107 0.000 0.830 84 A HN 0.233 nan 8.150 nan 0.000 0.446 85 A N -3.588 119.255 122.820 0.039 0.000 1.975 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.197 85 A C 1.808 179.438 177.584 0.078 0.000 1.537 85 A CA 1.111 53.191 52.037 0.070 0.000 0.972 85 A CB -0.170 18.862 19.000 0.054 0.000 1.019 85 A HN 1.844 nan 8.150 nan 0.000 0.488 86 G N -0.489 108.302 108.800 -0.015 0.000 2.213 86 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.226 86 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.226 86 G C -0.064 174.785 174.900 -0.086 0.000 0.992 86 G CA 0.660 45.693 45.100 -0.112 0.000 0.632 86 G HN 0.919 nan 8.290 nan 0.000 0.511 87 D N -1.268 119.112 120.400 -0.034 0.000 2.423 87 D HA 0.585 5.225 4.640 -0.000 0.000 0.235 87 D C 1.058 177.349 176.300 -0.015 0.000 1.011 87 D CA 0.709 54.695 54.000 -0.023 0.000 0.963 87 D CB 1.032 41.832 40.800 -0.000 0.000 1.349 87 D HN 1.391 nan 8.370 nan 0.000 0.508 88 G N 0.634 109.427 108.800 -0.012 0.000 2.149 88 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.235 88 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.235 88 G C 0.914 175.807 174.900 -0.010 0.000 1.018 88 G CA 1.040 46.139 45.100 -0.003 0.000 0.728 88 G HN 0.802 nan 8.290 nan 0.000 0.508 89 T N -3.507 111.032 114.554 -0.024 0.000 2.896 89 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 89 T C 2.260 176.949 174.700 -0.019 0.000 1.050 89 T CA 2.302 64.382 62.100 -0.033 0.000 1.140 89 T CB -0.363 68.478 68.868 -0.044 0.000 0.877 89 T HN 0.303 nan 8.240 nan 0.000 0.457 90 T N 2.297 116.843 114.554 -0.013 0.000 2.857 90 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 90 T C 2.225 176.926 174.700 0.001 0.000 1.048 90 T CA 1.681 63.776 62.100 -0.007 0.000 1.139 90 T CB -0.812 68.052 68.868 -0.007 0.000 0.874 90 T HN 0.554 nan 8.240 nan 0.000 0.455 91 T N 2.086 116.642 114.554 0.004 0.000 2.867 91 T HA 0.053 4.403 4.350 -0.000 0.000 0.268 91 T C 2.433 177.144 174.700 0.018 0.000 1.057 91 T CA 0.936 63.043 62.100 0.012 0.000 1.136 91 T CB -0.478 68.399 68.868 0.014 0.000 0.874 91 T HN 0.423 nan 8.240 nan 0.000 0.466 92 A N 1.870 124.701 122.820 0.018 0.000 1.877 92 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 92 A C 2.590 180.190 177.584 0.025 0.000 1.186 92 A CA 1.959 54.014 52.037 0.030 0.000 0.620 92 A CB -1.321 17.693 19.000 0.024 0.000 0.822 92 A HN 0.461 nan 8.150 nan 0.000 0.443 93 T N 0.130 114.692 114.554 0.013 0.000 2.821 93 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 93 T C 1.944 176.652 174.700 0.013 0.000 1.046 93 T CA 1.772 63.879 62.100 0.011 0.000 1.139 93 T CB -0.659 68.211 68.868 0.003 0.000 0.871 93 T HN 0.605 nan 8.240 nan 0.000 0.454 94 V N -0.151 119.770 119.914 0.012 0.000 2.548 94 V HA 0.020 4.140 4.120 -0.000 0.000 0.249 94 V C 2.207 178.310 176.094 0.015 0.000 1.055 94 V CA 1.202 63.509 62.300 0.012 0.000 1.065 94 V CB -1.063 30.765 31.823 0.010 0.000 0.681 94 V HN 0.382 nan 8.190 nan 0.000 0.462 95 L N 0.669 121.904 121.223 0.020 0.000 2.023 95 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 95 L C 3.082 179.967 176.870 0.024 0.000 1.073 95 L CA 1.643 56.497 54.840 0.023 0.000 0.745 95 L CB -0.921 41.156 42.059 0.030 0.000 0.900 95 L HN 0.377 nan 8.230 nan 0.000 0.435 96 A N -0.553 122.284 122.820 0.028 0.000 1.903 96 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 96 A C 2.250 179.847 177.584 0.022 0.000 1.191 96 A CA 2.258 54.312 52.037 0.029 0.000 0.638 96 A CB -0.774 18.246 19.000 0.033 0.000 0.823 96 A HN 0.534 nan 8.150 nan 0.000 0.451 97 Q N -0.785 119.026 119.800 0.019 0.000 2.061 97 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 97 Q C 2.239 178.248 176.000 0.014 0.000 0.984 97 Q CA 1.748 57.560 55.803 0.015 0.000 0.846 97 Q CB -0.339 28.407 28.738 0.012 0.000 0.902 97 Q HN 0.628 nan 8.270 nan 0.000 0.421 98 A N 0.405 123.234 122.820 0.014 0.000 2.015 98 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 98 A C 1.897 179.489 177.584 0.013 0.000 1.163 98 A CA 1.133 53.177 52.037 0.012 0.000 0.646 98 A CB -0.476 18.531 19.000 0.012 0.000 0.806 98 A HN 0.467 nan 8.150 nan 0.000 0.448 99 I N -0.801 119.778 120.570 0.015 0.000 2.333 99 I HA -0.152 4.018 4.170 -0.000 0.000 0.246 99 I C 2.216 178.342 176.117 0.014 0.000 1.106 99 I CA 0.912 62.221 61.300 0.015 0.000 1.411 99 I CB -0.300 37.710 38.000 0.017 0.000 1.082 99 I HN 0.237 nan 8.210 nan 0.000 0.420 100 I N 0.654 121.233 120.570 0.016 0.000 2.163 100 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 100 I C 2.594 178.719 176.117 0.013 0.000 1.081 100 I CA 1.631 62.941 61.300 0.016 0.000 1.353 100 I CB -0.589 37.422 38.000 0.018 0.000 1.054 100 I HN 0.230 nan 8.210 nan 0.000 0.407 101 T N 0.092 114.653 114.554 0.012 0.000 2.684 101 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 101 T C 1.775 176.480 174.700 0.009 0.000 1.036 101 T CA 1.253 63.359 62.100 0.010 0.000 1.148 101 T CB -0.222 68.652 68.868 0.009 0.000 0.863 101 T HN 0.272 nan 8.240 nan 0.000 0.436 102 E N 0.715 120.920 120.200 0.009 0.000 2.158 102 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 102 E C 2.532 179.137 176.600 0.008 0.000 0.982 102 E CA 0.799 57.204 56.400 0.008 0.000 0.823 102 E CB -0.722 28.983 29.700 0.008 0.000 0.766 102 E HN 0.578 nan 8.360 nan 0.000 0.468 103 G N 1.506 110.312 108.800 0.010 0.000 2.414 103 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 103 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 103 G C 1.718 176.624 174.900 0.010 0.000 1.188 103 G CA 0.439 45.545 45.100 0.010 0.000 0.783 103 G HN 0.176 nan 8.290 nan 0.000 0.537 104 L N 0.042 121.271 121.223 0.010 0.000 2.127 104 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 104 L C 2.924 179.799 176.870 0.008 0.000 1.089 104 L CA 1.156 56.002 54.840 0.010 0.000 0.757 104 L CB -0.340 41.725 42.059 0.010 0.000 0.899 104 L HN 0.204 nan 8.230 nan 0.000 0.434 105 K N 0.035 120.439 120.400 0.007 0.000 2.103 105 K HA -0.196 4.123 4.320 -0.000 0.000 0.207 105 K C 2.196 178.799 176.600 0.005 0.000 1.048 105 K CA 1.515 57.805 56.287 0.005 0.000 0.930 105 K CB -0.168 32.335 32.500 0.005 0.000 0.716 105 K HN 0.327 nan 8.250 nan 0.000 0.444 106 A N 0.571 123.395 122.820 0.006 0.000 1.929 106 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 106 A C 2.247 179.835 177.584 0.006 0.000 1.176 106 A CA 1.124 53.164 52.037 0.006 0.000 0.628 106 A CB -0.367 18.637 19.000 0.006 0.000 0.816 106 A HN 0.082 nan 8.150 nan 0.000 0.444 107 V N -0.053 119.865 119.914 0.007 0.000 2.358 107 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 107 V C 2.955 179.054 176.094 0.007 0.000 1.047 107 V CA 1.835 64.140 62.300 0.008 0.000 1.035 107 V CB -1.350 30.479 31.823 0.011 0.000 0.658 107 V HN 0.559 nan 8.190 nan 0.000 0.452 108 A N 0.074 122.898 122.820 0.006 0.000 2.015 108 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 108 A C 2.347 179.933 177.584 0.003 0.000 1.163 108 A CA 1.636 53.676 52.037 0.005 0.000 0.646 108 A CB -0.578 18.424 19.000 0.004 0.000 0.806 108 A HN 0.569 nan 8.150 nan 0.000 0.448 109 A N -1.434 121.389 122.820 0.004 0.000 2.066 109 A HA 0.372 4.692 4.320 -0.000 0.000 0.218 109 A C 1.633 179.219 177.584 0.003 0.000 1.157 109 A CA 1.458 53.497 52.037 0.003 0.000 0.670 109 A CB -0.679 18.323 19.000 0.003 0.000 0.804 109 A HN 1.889 nan 8.150 nan 0.000 0.453 110 G N -1.620 107.183 108.800 0.004 0.000 2.468 110 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.143 110 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.143 110 G C -0.271 174.631 174.900 0.004 0.000 1.065 110 G CA -0.024 45.078 45.100 0.003 0.000 0.776 110 G HN 0.286 nan 8.290 nan 0.000 0.486 111 M N -0.052 119.551 119.600 0.005 0.000 2.598 111 M HA 0.351 4.831 4.480 -0.000 0.000 0.317 111 M C 0.408 176.711 176.300 0.006 0.000 1.179 111 M CA -0.759 54.544 55.300 0.005 0.000 0.936 111 M CB 1.800 34.403 32.600 0.005 0.000 1.713 111 M HN 0.220 nan 8.290 nan 0.000 0.460 112 N N 2.032 120.735 118.700 0.006 0.000 2.431 112 N HA 0.099 4.839 4.740 -0.000 0.000 0.265 112 N C -1.986 173.529 175.510 0.008 0.000 1.184 112 N CA -1.318 51.737 53.050 0.007 0.000 0.943 112 N CB 0.963 39.453 38.487 0.006 0.000 1.080 112 N HN 0.276 nan 8.380 nan 0.000 0.477 113 P HA -0.179 nan 4.420 nan 0.000 0.215 113 P C 1.384 178.691 177.300 0.010 0.000 1.153 113 P CA 1.059 64.165 63.100 0.012 0.000 0.853 113 P CB 0.202 31.910 31.700 0.015 0.000 0.788 114 M N -0.654 118.952 119.600 0.010 0.000 2.213 114 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 114 M C 1.149 177.453 176.300 0.006 0.000 1.062 114 M CA 1.675 56.980 55.300 0.008 0.000 1.105 114 M CB -1.378 31.227 32.600 0.008 0.000 1.385 114 M HN -0.051 nan 8.290 nan 0.000 0.417 115 D N -0.023 120.380 120.400 0.006 0.000 2.194 115 D HA -0.010 4.630 4.640 -0.000 0.000 0.204 115 D C 2.184 178.487 176.300 0.005 0.000 0.964 115 D CA 0.776 54.779 54.000 0.004 0.000 0.846 115 D CB -0.046 40.756 40.800 0.004 0.000 0.962 115 D HN 0.319 nan 8.370 nan 0.000 0.490 116 L N 0.618 121.844 121.223 0.006 0.000 2.109 116 L HA -0.102 4.237 4.340 -0.000 0.000 0.207 116 L C 2.465 179.338 176.870 0.006 0.000 1.086 116 L CA 0.924 55.768 54.840 0.006 0.000 0.760 116 L CB -0.190 41.873 42.059 0.007 0.000 0.910 116 L HN -0.045 nan 8.230 nan 0.000 0.437 117 K N 0.530 120.934 120.400 0.006 0.000 2.026 117 K HA -0.185 4.134 4.320 -0.000 0.000 0.208 117 K C 2.279 178.880 176.600 0.002 0.000 1.048 117 K CA 1.372 57.662 56.287 0.005 0.000 0.929 117 K CB 0.019 32.522 32.500 0.006 0.000 0.713 117 K HN 0.183 nan 8.250 nan 0.000 0.439 118 R N -0.371 120.130 120.500 0.002 0.000 2.120 118 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 118 R C 2.435 178.735 176.300 -0.000 0.000 1.123 118 R CA 1.221 57.321 56.100 -0.000 0.000 0.975 118 R CB -0.427 29.873 30.300 0.000 0.000 0.866 118 R HN 0.386 nan 8.270 nan 0.000 0.446 119 G N 1.156 109.957 108.800 0.001 0.000 2.418 119 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 119 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 119 G C 1.426 176.327 174.900 0.002 0.000 1.158 119 G CA 0.595 45.696 45.100 0.002 0.000 0.771 119 G HN 0.151 nan 8.290 nan 0.000 0.545 120 I N 0.875 121.446 120.570 0.002 0.000 2.142 120 I HA -0.127 4.043 4.170 -0.000 0.000 0.240 120 I C 2.306 178.422 176.117 -0.001 0.000 1.078 120 I CA 1.272 62.574 61.300 0.002 0.000 1.343 120 I CB -0.165 37.837 38.000 0.004 0.000 1.046 120 I HN 0.032 nan 8.210 nan 0.000 0.405 121 D N 0.674 121.071 120.400 -0.004 0.000 2.178 121 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 121 D C 2.085 178.380 176.300 -0.009 0.000 0.980 121 D CA 1.120 55.114 54.000 -0.010 0.000 0.842 121 D CB -0.144 40.648 40.800 -0.012 0.000 0.948 121 D HN 0.286 nan 8.370 nan 0.000 0.472 122 K N 0.556 120.952 120.400 -0.005 0.000 2.103 122 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 122 K C 1.996 178.594 176.600 -0.003 0.000 1.052 122 K CA 0.930 57.215 56.287 -0.004 0.000 0.945 122 K CB 0.067 32.566 32.500 -0.002 0.000 0.722 122 K HN -0.024 nan 8.250 nan 0.000 0.443 123 A N 0.607 123.427 122.820 -0.001 0.000 1.933 123 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 123 A C 2.163 179.747 177.584 0.001 0.000 1.175 123 A CA 1.393 53.431 52.037 0.001 0.000 0.628 123 A CB -0.443 18.559 19.000 0.003 0.000 0.814 123 A HN 0.164 nan 8.150 nan 0.000 0.444 124 V N -0.413 119.500 119.914 -0.002 0.000 2.323 124 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 124 V C 2.721 178.810 176.094 -0.008 0.000 1.041 124 V CA 2.365 64.662 62.300 -0.005 0.000 1.025 124 V CB -1.154 30.663 31.823 -0.010 0.000 0.656 124 V HN 0.601 nan 8.190 nan 0.000 0.451 125 T N 0.608 115.156 114.554 -0.011 0.000 2.803 125 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 125 T C 1.958 176.655 174.700 -0.006 0.000 1.052 125 T CA 1.561 63.654 62.100 -0.011 0.000 1.136 125 T CB -0.368 68.492 68.868 -0.012 0.000 0.864 125 T HN 0.551 nan 8.240 nan 0.000 0.467 126 A N 1.052 123.871 122.820 -0.003 0.000 1.970 126 A HA 0.396 4.716 4.320 -0.000 0.000 0.216 126 A C 2.580 180.166 177.584 0.003 0.000 1.170 126 A CA 1.345 53.383 52.037 0.001 0.000 0.645 126 A CB -0.789 18.212 19.000 0.002 0.000 0.816 126 A HN 0.493 nan 8.150 nan 0.000 0.447 127 A N -0.517 122.305 122.820 0.003 0.000 1.929 127 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 127 A C 2.140 179.728 177.584 0.007 0.000 1.176 127 A CA 1.503 53.544 52.037 0.007 0.000 0.628 127 A CB -0.735 18.270 19.000 0.008 0.000 0.816 127 A HN 0.321 nan 8.150 nan 0.000 0.444 128 V N 0.002 119.918 119.914 0.003 0.000 2.407 128 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 128 V C 2.569 178.665 176.094 0.004 0.000 1.055 128 V CA 2.334 64.636 62.300 0.003 0.000 1.049 128 V CB -0.620 31.200 31.823 -0.004 0.000 0.662 128 V HN 0.602 nan 8.190 nan 0.000 0.455 129 E N 0.303 120.505 120.200 0.003 0.000 2.106 129 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 129 E C 2.120 178.724 176.600 0.007 0.000 0.984 129 E CA 1.246 57.649 56.400 0.004 0.000 0.806 129 E CB -0.161 29.540 29.700 0.002 0.000 0.750 129 E HN 0.611 nan 8.360 nan 0.000 0.458 130 E N -0.674 119.531 120.200 0.008 0.000 2.152 130 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 130 E C 1.744 178.352 176.600 0.013 0.000 0.983 130 E CA 0.420 56.826 56.400 0.011 0.000 0.818 130 E CB -0.190 29.517 29.700 0.011 0.000 0.758 130 E HN 0.213 nan 8.360 nan 0.000 0.467 131 L N 0.731 121.962 121.223 0.013 0.000 2.093 131 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 131 L C 1.834 178.713 176.870 0.015 0.000 1.085 131 L CA 1.649 56.498 54.840 0.015 0.000 0.755 131 L CB -0.161 41.908 42.059 0.016 0.000 0.904 131 L HN -0.001 nan 8.230 nan 0.000 0.435 132 K N -0.996 119.411 120.400 0.012 0.000 2.147 132 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 132 K C 1.996 178.603 176.600 0.012 0.000 1.049 132 K CA 1.164 57.458 56.287 0.012 0.000 0.936 132 K CB -0.251 32.255 32.500 0.009 0.000 0.722 132 K HN 0.405 nan 8.250 nan 0.000 0.446 133 A N 0.990 123.817 122.820 0.012 0.000 1.970 133 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 133 A C 1.930 179.523 177.584 0.014 0.000 1.170 133 A CA 0.789 52.834 52.037 0.012 0.000 0.645 133 A CB -0.254 18.753 19.000 0.011 0.000 0.816 133 A HN 0.208 nan 8.150 nan 0.000 0.447 134 L N -0.462 120.770 121.223 0.016 0.000 2.492 134 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 134 L C 1.100 177.981 176.870 0.019 0.000 1.132 134 L CA 0.085 54.937 54.840 0.019 0.000 0.850 134 L CB 0.014 42.086 42.059 0.022 0.000 0.966 134 L HN 0.352 nan 8.230 nan 0.000 0.454 135 S N -0.306 115.404 115.700 0.017 0.000 2.549 135 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 135 S C -0.195 174.413 174.600 0.015 0.000 1.321 135 S CA -0.479 57.730 58.200 0.016 0.000 1.054 135 S CB 0.875 64.084 63.200 0.015 0.000 0.899 135 S HN 0.004 nan 8.310 nan 0.000 0.497 136 V N 8.611 128.533 119.914 0.015 0.000 2.311 136 V HA 0.353 4.473 4.120 -0.000 0.000 0.275 136 V C -2.094 174.007 176.094 0.011 0.000 1.022 136 V CA -1.783 60.525 62.300 0.013 0.000 0.830 136 V CB 0.834 32.666 31.823 0.014 0.000 1.012 136 V HN 0.746 nan 8.190 nan 0.000 0.452 137 P HA 0.202 nan 4.420 nan 0.000 0.272 137 P C -0.600 176.704 177.300 0.007 0.000 1.223 137 P CA -0.368 62.737 63.100 0.008 0.000 0.784 137 P CB 0.492 32.196 31.700 0.007 0.000 0.923 138 C N 2.368 121.671 119.300 0.005 0.000 2.250 138 C HA 0.301 4.761 4.460 -0.000 0.000 0.319 138 C C 1.623 176.614 174.990 0.002 0.000 1.124 138 C CA 0.264 59.284 59.018 0.004 0.000 1.527 138 C CB -0.764 26.978 27.740 0.003 0.000 2.001 138 C HN 0.590 nan 8.230 nan 0.000 0.435 139 S N 1.406 117.107 115.700 0.002 0.000 2.431 139 S HA 0.021 4.491 4.470 -0.000 0.000 0.210 139 S C 0.654 175.254 174.600 -0.000 0.000 1.013 139 S CA 0.293 58.493 58.200 0.001 0.000 0.920 139 S CB -0.140 63.061 63.200 0.002 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.935 122.335 120.400 0.000 0.000 2.362 140 D HA 0.065 4.705 4.640 -0.000 0.000 0.242 140 D C 0.712 177.011 176.300 -0.001 0.000 1.132 140 D CA 0.168 54.168 54.000 -0.000 0.000 0.907 140 D CB 0.841 41.641 40.800 0.000 0.000 1.195 140 D HN 0.276 nan 8.370 nan 0.000 0.429 141 S N 0.147 115.846 115.700 -0.002 0.000 2.603 141 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 141 S C 1.370 175.969 174.600 -0.002 0.000 0.972 141 S CA 0.297 58.496 58.200 -0.003 0.000 0.935 141 S CB -0.183 63.015 63.200 -0.003 0.000 0.769 141 S HN 0.584 nan 8.310 nan 0.000 0.536 142 K N 1.037 121.437 120.400 -0.001 0.000 2.166 142 K HA 0.298 4.618 4.320 -0.000 0.000 0.201 142 K C 2.139 178.740 176.600 0.000 0.000 1.052 142 K CA 0.754 57.041 56.287 -0.000 0.000 0.969 142 K CB -0.328 32.172 32.500 0.000 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.715 123.536 122.820 0.001 0.000 2.067 143 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 143 A C 1.840 179.425 177.584 0.001 0.000 1.156 143 A CA 0.603 52.641 52.037 0.002 0.000 0.683 143 A CB -0.322 18.680 19.000 0.003 0.000 0.808 143 A HN 0.254 nan 8.150 nan 0.000 0.455 144 I N -0.316 120.254 120.570 0.000 0.000 2.353 144 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 144 I C 2.842 178.958 176.117 -0.001 0.000 1.119 144 I CA 0.935 62.234 61.300 -0.001 0.000 1.417 144 I CB -0.149 37.850 38.000 -0.003 0.000 1.078 144 I HN 0.338 nan 8.210 nan 0.000 0.421 145 A N 0.047 122.867 122.820 -0.001 0.000 1.969 145 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 145 A C 2.242 179.826 177.584 -0.000 0.000 1.169 145 A CA 1.293 53.330 52.037 -0.001 0.000 0.635 145 A CB -0.458 18.541 19.000 -0.001 0.000 0.810 145 A HN 0.445 nan 8.150 nan 0.000 0.445 146 Q N -0.496 119.305 119.800 0.000 0.000 2.124 146 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 146 Q C 2.084 178.085 176.000 0.001 0.000 0.977 146 Q CA 1.612 57.416 55.803 0.001 0.000 0.850 146 Q CB -0.255 28.484 28.738 0.002 0.000 0.901 146 Q HN 0.538 nan 8.270 nan 0.000 0.429 147 V N -0.070 119.846 119.914 0.002 0.000 2.379 147 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 147 V C 2.180 178.276 176.094 0.005 0.000 1.044 147 V CA 1.852 64.154 62.300 0.004 0.000 1.036 147 V CB -0.944 30.882 31.823 0.005 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.438 108.364 108.800 0.004 0.000 2.471 148 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 148 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 148 G C 1.621 176.523 174.900 0.003 0.000 1.125 148 G CA 1.393 46.496 45.100 0.004 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.284 115.839 114.554 0.001 0.000 2.770 149 T HA 0.021 4.371 4.350 -0.000 0.000 0.258 149 T C 2.360 177.059 174.700 -0.001 0.000 1.039 149 T CA 0.793 62.893 62.100 -0.001 0.000 1.143 149 T CB -0.105 68.762 68.868 -0.001 0.000 0.866 149 T HN 0.268 nan 8.240 nan 0.000 0.428 150 I N 1.304 121.872 120.570 -0.002 0.000 2.617 150 I HA -0.045 4.125 4.170 -0.000 0.000 0.256 150 I C 2.357 178.472 176.117 -0.003 0.000 1.167 150 I CA 0.625 61.923 61.300 -0.004 0.000 1.469 150 I CB -0.296 37.701 38.000 -0.005 0.000 1.098 150 I HN 0.124 nan 8.210 nan 0.000 0.436 151 S N 0.883 116.584 115.700 0.001 0.000 2.453 151 S HA 0.079 4.549 4.470 -0.000 0.000 0.231 151 S C 1.672 176.273 174.600 0.003 0.000 1.005 151 S CA 0.940 59.142 58.200 0.003 0.000 0.949 151 S CB -0.048 63.158 63.200 0.010 0.000 0.774 151 S HN 0.500 nan 8.310 nan 0.000 0.510 152 A N 1.476 124.297 122.820 0.002 0.000 2.708 152 A HA 0.465 4.785 4.320 -0.000 0.000 0.293 152 A C 0.430 178.013 177.584 -0.003 0.000 1.303 152 A CA -0.521 51.517 52.037 0.001 0.000 0.949 152 A CB -0.570 18.431 19.000 0.002 0.000 1.121 152 A HN 0.311 nan 8.150 nan 0.000 0.542 153 N N 0.216 118.913 118.700 -0.005 0.000 2.681 153 N HA -0.204 4.536 4.740 -0.000 0.000 0.259 153 N C 0.198 175.704 175.510 -0.007 0.000 1.066 153 N CA 1.031 54.076 53.050 -0.007 0.000 0.717 153 N CB -1.869 36.614 38.487 -0.008 0.000 0.885 153 N HN 0.549 nan 8.380 nan 0.000 0.547 154 S N -1.084 114.611 115.700 -0.007 0.000 3.533 154 S HA -0.238 4.232 4.470 -0.000 0.000 0.347 154 S C -0.333 174.263 174.600 -0.005 0.000 1.101 154 S CA 0.974 59.170 58.200 -0.007 0.000 1.009 154 S CB -0.806 62.389 63.200 -0.009 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.858 121.256 120.400 -0.004 0.000 2.359 155 D HA 0.265 4.905 4.640 -0.000 0.000 0.230 155 D C 0.984 177.283 176.300 -0.002 0.000 1.118 155 D CA -0.348 53.650 54.000 -0.003 0.000 0.844 155 D CB 0.770 41.569 40.800 -0.003 0.000 1.059 155 D HN 0.417 nan 8.370 nan 0.000 0.493 156 E N 1.162 121.360 120.200 -0.003 0.000 2.285 156 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 156 E C 1.324 177.923 176.600 -0.002 0.000 0.997 156 E CA 0.689 57.087 56.400 -0.002 0.000 0.845 156 E CB 0.427 30.126 29.700 -0.002 0.000 0.782 156 E HN 0.474 nan 8.360 nan 0.000 0.491 157 T N 0.582 115.135 114.554 -0.002 0.000 2.867 157 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 157 T C 2.115 176.814 174.700 -0.002 0.000 1.057 157 T CA 0.737 62.836 62.100 -0.002 0.000 1.136 157 T CB -0.068 68.799 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.668 121.582 119.914 -0.001 0.000 2.270 158 V HA -0.031 4.089 4.120 -0.000 0.000 0.245 158 V C 2.953 179.046 176.094 -0.000 0.000 1.043 158 V CA 1.945 64.245 62.300 -0.000 0.000 1.014 158 V CB -1.410 30.414 31.823 0.001 0.000 0.645 158 V HN 0.565 nan 8.190 nan 0.000 0.447 159 G N -0.612 108.188 108.800 -0.000 0.000 2.448 159 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 159 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 159 G C 1.643 176.542 174.900 -0.002 0.000 1.127 159 G CA 0.935 46.035 45.100 -0.001 0.000 0.766 159 G HN 0.482 nan 8.290 nan 0.000 0.552 160 K N -0.175 120.224 120.400 -0.002 0.000 2.097 160 K HA 0.121 4.441 4.320 -0.000 0.000 0.205 160 K C 2.418 179.016 176.600 -0.003 0.000 1.050 160 K CA 0.526 56.811 56.287 -0.003 0.000 0.938 160 K CB -0.184 32.314 32.500 -0.003 0.000 0.718 160 K HN 0.325 nan 8.250 nan 0.000 0.442 161 L N 0.739 121.960 121.223 -0.003 0.000 2.056 161 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 161 L C 2.255 179.121 176.870 -0.006 0.000 1.078 161 L CA 0.935 55.773 54.840 -0.004 0.000 0.749 161 L CB -0.256 41.800 42.059 -0.004 0.000 0.901 161 L HN 0.181 nan 8.230 nan 0.000 0.433 162 I N -0.209 120.358 120.570 -0.005 0.000 2.179 162 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 162 I C 2.786 178.898 176.117 -0.008 0.000 1.088 162 I CA 1.210 62.505 61.300 -0.008 0.000 1.357 162 I CB -0.558 37.439 38.000 -0.006 0.000 1.051 162 I HN 0.177 nan 8.210 nan 0.000 0.409 163 A N 0.330 123.146 122.820 -0.006 0.000 1.933 163 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 163 A C 2.252 179.832 177.584 -0.006 0.000 1.175 163 A CA 1.676 53.709 52.037 -0.006 0.000 0.628 163 A CB -0.544 18.453 19.000 -0.004 0.000 0.814 163 A HN 0.454 nan 8.150 nan 0.000 0.444 164 E N -0.557 119.639 120.200 -0.006 0.000 2.152 164 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 164 E C 2.267 178.862 176.600 -0.008 0.000 0.983 164 E CA 0.712 57.109 56.400 -0.006 0.000 0.818 164 E CB -0.185 29.512 29.700 -0.006 0.000 0.758 164 E HN 0.628 nan 8.360 nan 0.000 0.467 165 A N 0.915 123.730 122.820 -0.009 0.000 1.929 165 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 165 A C 2.077 179.654 177.584 -0.013 0.000 1.176 165 A CA 0.990 53.021 52.037 -0.011 0.000 0.628 165 A CB -0.274 18.719 19.000 -0.013 0.000 0.816 165 A HN 0.127 nan 8.150 nan 0.000 0.444 166 M N -1.063 118.529 119.600 -0.013 0.000 2.492 166 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 166 M C 1.226 177.520 176.300 -0.010 0.000 1.090 166 M CA 1.202 56.494 55.300 -0.013 0.000 1.110 166 M CB -0.303 32.289 32.600 -0.013 0.000 1.407 166 M HN 0.338 nan 8.290 nan 0.000 0.470 167 D N 0.374 120.768 120.400 -0.009 0.000 2.347 167 D HA -0.049 4.590 4.640 -0.000 0.000 0.213 167 D C 1.999 178.295 176.300 -0.008 0.000 0.985 167 D CA 0.797 54.793 54.000 -0.007 0.000 0.879 167 D CB 0.430 41.226 40.800 -0.006 0.000 0.919 167 D HN 0.036 nan 8.370 nan 0.000 0.526 168 K N -0.472 119.923 120.400 -0.008 0.000 2.121 168 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 168 K C 1.900 178.495 176.600 -0.009 0.000 1.041 168 K CA 0.871 57.153 56.287 -0.008 0.000 0.969 168 K CB 0.064 32.559 32.500 -0.008 0.000 0.799 168 K HN 0.160 nan 8.250 nan 0.000 0.456 169 V N -2.490 117.418 119.914 -0.011 0.000 3.471 169 V HA 0.355 4.475 4.120 -0.000 0.000 0.258 169 V C 0.830 176.917 176.094 -0.012 0.000 1.192 169 V CA 0.432 62.725 62.300 -0.011 0.000 1.116 169 V CB -0.277 31.538 31.823 -0.013 0.000 0.792 169 V HN 0.388 nan 8.190 nan 0.000 0.459 170 G N 0.952 109.745 108.800 -0.012 0.000 2.566 170 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.599 170 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.599 170 G C 0.006 174.898 174.900 -0.014 0.000 1.292 170 G CA 0.005 45.098 45.100 -0.011 0.000 0.922 170 G HN 0.272 nan 8.290 nan 0.000 0.514 171 K N 0.021 120.413 120.400 -0.012 0.000 2.228 171 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 171 K C 1.828 178.418 176.600 -0.017 0.000 1.051 171 K CA 1.430 57.708 56.287 -0.014 0.000 0.960 171 K CB 0.070 32.563 32.500 -0.011 0.000 0.743 171 K HN 0.467 nan 8.250 nan 0.000 0.458 172 E N 0.644 120.836 120.200 -0.015 0.000 2.447 172 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 172 E C 0.995 177.585 176.600 -0.018 0.000 1.028 172 E CA 0.073 56.464 56.400 -0.015 0.000 0.876 172 E CB 0.229 29.923 29.700 -0.011 0.000 0.885 172 E HN 0.236 nan 8.360 nan 0.000 0.500 173 G N 1.297 110.086 108.800 -0.018 0.000 2.636 173 G HA2 0.220 4.180 3.960 -0.000 0.000 0.246 173 G HA3 0.220 4.180 3.960 -0.000 0.000 0.246 173 G C 0.084 174.969 174.900 -0.025 0.000 1.216 173 G CA -0.438 44.651 45.100 -0.018 0.000 0.854 173 G HN -0.047 nan 8.290 nan 0.000 0.572 174 V N 1.237 121.136 119.914 -0.024 0.000 2.383 174 V HA 0.384 4.504 4.120 -0.000 0.000 0.275 174 V C 0.148 176.223 176.094 -0.032 0.000 1.036 174 V CA -0.208 62.073 62.300 -0.032 0.000 0.889 174 V CB 0.818 32.624 31.823 -0.027 0.000 0.985 174 V HN 0.482 nan 8.190 nan 0.000 0.459 175 I N 4.244 124.789 120.570 -0.042 0.000 2.436 175 I HA 0.596 4.766 4.170 -0.000 0.000 0.289 175 I C -0.046 176.047 176.117 -0.039 0.000 1.010 175 I CA -0.097 61.181 61.300 -0.037 0.000 1.098 175 I CB 2.235 40.212 38.000 -0.038 0.000 1.266 175 I HN 0.562 nan 8.210 nan 0.000 0.434 176 T N 4.577 119.115 114.554 -0.027 0.000 2.900 176 T HA 0.596 4.946 4.350 -0.000 0.000 0.295 176 T C -0.595 174.097 174.700 -0.013 0.000 1.044 176 T CA -0.655 61.431 62.100 -0.022 0.000 0.995 176 T CB 2.504 71.358 68.868 -0.022 0.000 1.072 176 T HN 0.160 nan 8.240 nan 0.000 0.473 177 V N 2.897 122.807 119.914 -0.006 0.000 2.459 177 V HA 0.599 4.719 4.120 -0.000 0.000 0.295 177 V C -0.157 175.936 176.094 -0.001 0.000 1.029 177 V CA -0.630 61.669 62.300 -0.002 0.000 0.874 177 V CB 1.521 33.346 31.823 0.005 0.000 0.985 177 V HN 1.031 nan 8.190 nan 0.000 0.438 178 E N 2.527 122.725 120.200 -0.003 0.000 2.445 178 E HA 0.499 4.849 4.350 -0.000 0.000 0.273 178 E C -1.500 175.098 176.600 -0.004 0.000 0.961 178 E CA -1.127 55.271 56.400 -0.004 0.000 0.807 178 E CB 1.454 31.150 29.700 -0.007 0.000 1.362 178 E HN 0.450 nan 8.360 nan 0.000 0.453 179 D N 0.579 120.976 120.400 -0.004 0.000 2.443 179 D HA 0.151 4.791 4.640 -0.000 0.000 0.239 179 D C 0.173 176.470 176.300 -0.005 0.000 1.136 179 D CA 0.536 54.533 54.000 -0.004 0.000 0.879 179 D CB 1.061 41.859 40.800 -0.004 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.154 108.643 108.800 -0.004 0.000 2.537 180 G HA2 0.273 4.232 3.960 -0.000 0.000 0.273 180 G HA3 0.273 4.232 3.960 -0.000 0.000 0.273 180 G C 1.070 175.967 174.900 -0.005 0.000 1.189 180 G CA -0.229 44.868 45.100 -0.004 0.000 0.881 180 G HN 0.454 nan 8.290 nan 0.000 0.535 181 T N -2.233 112.318 114.554 -0.005 0.000 3.031 181 T HA 0.410 4.760 4.350 -0.000 0.000 0.254 181 T C 1.276 175.973 174.700 -0.004 0.000 1.060 181 T CA 1.126 63.223 62.100 -0.005 0.000 1.135 181 T CB 0.244 69.109 68.868 -0.005 0.000 0.896 181 T HN 0.997 nan 8.240 nan 0.000 0.472 182 G N 0.825 109.623 108.800 -0.004 0.000 3.319 182 G HA2 0.457 4.417 3.960 -0.000 0.000 0.158 182 G HA3 0.457 4.417 3.960 -0.000 0.000 0.158 182 G C -0.211 174.687 174.900 -0.003 0.000 1.205 182 G CA -0.012 45.086 45.100 -0.003 0.000 1.252 182 G HN 0.252 nan 8.290 nan 0.000 0.668 183 L N -0.067 121.155 121.223 -0.003 0.000 2.590 183 L HA 0.549 4.889 4.340 -0.000 0.000 0.227 183 L C 0.577 177.446 176.870 -0.003 0.000 1.099 183 L CA 0.555 55.393 54.840 -0.003 0.000 0.872 183 L CB 0.176 42.233 42.059 -0.003 0.000 1.088 183 L HN 0.409 nan 8.230 nan 0.000 0.479 184 Q N 0.091 119.889 119.800 -0.003 0.000 2.377 184 Q HA 0.284 4.624 4.340 -0.000 0.000 0.271 184 Q C -1.172 174.826 176.000 -0.003 0.000 1.077 184 Q CA -0.880 54.921 55.803 -0.003 0.000 0.820 184 Q CB 1.779 30.515 28.738 -0.003 0.000 1.347 184 Q HN 0.084 nan 8.270 nan 0.000 0.444 185 D N 2.681 123.079 120.400 -0.003 0.000 2.383 185 D HA 0.059 4.699 4.640 -0.000 0.000 0.252 185 D C -0.437 175.860 176.300 -0.004 0.000 1.166 185 D CA 0.593 54.591 54.000 -0.004 0.000 0.879 185 D CB 0.840 41.638 40.800 -0.003 0.000 1.164 185 D HN 0.334 nan 8.370 nan 0.000 0.462 186 E N 0.864 121.061 120.200 -0.005 0.000 2.212 186 E HA 0.562 4.912 4.350 -0.000 0.000 0.270 186 E C -0.724 175.872 176.600 -0.006 0.000 0.956 186 E CA -1.028 55.369 56.400 -0.005 0.000 0.825 186 E CB 2.298 31.994 29.700 -0.005 0.000 1.167 186 E HN 0.109 nan 8.360 nan 0.000 0.400 187 L N 2.710 123.929 121.223 -0.006 0.000 2.555 187 L HA 0.354 4.694 4.340 -0.000 0.000 0.264 187 L C -1.907 174.958 176.870 -0.007 0.000 0.972 187 L CA -0.272 54.564 54.840 -0.007 0.000 0.876 187 L CB 1.298 43.353 42.059 -0.007 0.000 1.216 187 L HN 0.383 nan 8.230 nan 0.000 0.415 188 D N 3.584 123.980 120.400 -0.008 0.000 2.433 188 D HA 0.553 5.193 4.640 -0.000 0.000 0.236 188 D C -0.867 175.428 176.300 -0.008 0.000 1.026 188 D CA -0.293 53.703 54.000 -0.008 0.000 0.884 188 D CB 2.970 43.766 40.800 -0.008 0.000 1.384 188 D HN 0.202 nan 8.370 nan 0.000 0.477 189 V N 1.524 121.433 119.914 -0.008 0.000 2.313 189 V HA 0.302 4.422 4.120 -0.000 0.000 0.278 189 V C 0.325 176.415 176.094 -0.007 0.000 1.017 189 V CA -0.696 61.600 62.300 -0.008 0.000 0.823 189 V CB 1.110 32.929 31.823 -0.007 0.000 1.010 189 V HN 0.417 nan 8.190 nan 0.000 0.443 190 V N 1.647 121.557 119.914 -0.007 0.000 2.850 190 V HA 0.648 4.768 4.120 -0.000 0.000 0.315 190 V C 0.086 176.177 176.094 -0.005 0.000 1.064 190 V CA -0.990 61.306 62.300 -0.007 0.000 0.979 190 V CB 1.923 33.741 31.823 -0.008 0.000 1.039 190 V HN 0.673 nan 8.190 nan 0.000 0.452 191 E N 2.305 122.503 120.200 -0.003 0.000 2.238 191 E HA 0.494 4.844 4.350 -0.000 0.000 0.264 191 E C 0.275 176.877 176.600 0.003 0.000 1.136 191 E CA 0.645 57.045 56.400 0.000 0.000 0.929 191 E CB 0.731 30.431 29.700 0.000 0.000 1.010 191 E HN 1.082 nan 8.360 nan 0.000 0.440 192 G N 1.700 110.504 108.800 0.007 0.000 2.721 192 G HA2 0.690 4.650 3.960 -0.000 0.000 0.296 192 G HA3 0.690 4.650 3.960 -0.000 0.000 0.296 192 G C -1.146 173.769 174.900 0.025 0.000 1.383 192 G CA -0.636 44.472 45.100 0.014 0.000 0.788 192 G HN 0.371 nan 8.290 nan 0.000 0.500 193 M N -0.021 119.604 119.600 0.042 0.000 2.520 193 M HA 0.494 4.974 4.480 -0.000 0.000 0.280 193 M C -2.066 174.278 176.300 0.073 0.000 1.232 193 M CA -0.627 54.715 55.300 0.069 0.000 0.892 193 M CB 2.711 35.374 32.600 0.106 0.000 1.728 193 M HN 0.629 nan 8.290 nan 0.000 0.475 194 Q N 3.634 123.475 119.800 0.067 0.000 2.304 194 Q HA 0.632 4.972 4.340 -0.000 0.000 0.270 194 Q C -2.102 173.944 176.000 0.077 0.000 1.035 194 Q CA -0.609 55.187 55.803 -0.011 0.000 0.781 194 Q CB 1.980 30.682 28.738 -0.061 0.000 1.261 194 Q HN 0.593 nan 8.270 nan 0.000 0.444 195 F N -0.169 119.773 119.950 -0.014 0.000 2.593 195 F HA 0.533 5.060 4.527 -0.000 0.000 0.320 195 F C -0.389 175.403 175.800 -0.012 0.000 1.060 195 F CA -1.279 56.715 58.000 -0.010 0.000 0.940 195 F CB 1.086 40.082 39.000 -0.006 0.000 1.268 195 F HN 0.338 nan 8.300 nan 0.000 0.475 196 D N 1.859 122.367 120.400 0.180 0.000 2.801 196 D HA 0.238 4.878 4.640 -0.000 0.000 0.232 196 D C -0.637 175.725 176.300 0.103 0.000 1.128 196 D CA 0.199 54.243 54.000 0.073 0.000 1.003 196 D CB -0.093 40.751 40.800 0.074 0.000 1.110 196 D HN 0.267 nan 8.370 nan 0.000 0.477 197 R N 0.272 120.805 120.500 0.056 0.000 2.574 197 R HA 0.597 4.937 4.340 -0.000 0.000 0.288 197 R C 0.358 176.603 176.300 -0.092 0.000 1.004 197 R CA -0.808 55.333 56.100 0.070 0.000 0.895 197 R CB 1.763 32.245 30.300 0.303 0.000 1.191 197 R HN 0.212 nan 8.270 nan 0.000 0.444 198 G N 1.082 109.808 108.800 -0.123 0.000 2.568 198 G HA2 0.391 4.351 3.960 -0.000 0.000 0.293 198 G HA3 0.391 4.351 3.960 -0.000 0.000 0.293 198 G C -0.558 174.237 174.900 -0.176 0.000 1.347 198 G CA -0.461 44.480 45.100 -0.265 0.000 1.039 198 G HN 0.460 nan 8.290 nan 0.000 0.523 199 Y N -1.510 118.768 120.300 -0.035 0.000 2.426 199 Y HA 0.397 4.947 4.550 -0.000 0.000 0.344 199 Y C 1.200 177.103 175.900 0.005 0.000 1.256 199 Y CA -1.129 56.938 58.100 -0.055 0.000 1.451 199 Y CB 0.431 38.876 38.460 -0.025 0.000 1.342 199 Y HN 0.179 nan 8.280 nan 0.000 0.600 200 L N 0.809 122.185 121.223 0.255 0.000 2.446 200 L HA 0.151 4.491 4.340 -0.000 0.000 0.219 200 L C 0.562 177.672 176.870 0.399 0.000 1.116 200 L CA 0.805 55.806 54.840 0.268 0.000 0.844 200 L CB 0.147 42.313 42.059 0.178 0.000 0.970 200 L HN 0.759 nan 8.230 nan 0.000 0.457 201 S N -1.390 114.636 115.700 0.543 0.000 2.592 201 S HA 0.348 4.818 4.470 -0.000 0.000 0.275 201 S C -2.353 172.281 174.600 0.057 0.000 1.169 201 S CA -0.903 57.525 58.200 0.379 0.000 0.958 201 S CB 1.594 65.012 63.200 0.364 0.000 1.095 201 S HN -0.238 nan 8.310 nan 0.000 0.471 202 P HA 0.062 nan 4.420 nan 0.000 0.242 202 P C -0.093 176.871 177.300 -0.561 0.000 1.198 202 P CA 0.656 63.365 63.100 -0.652 0.000 0.756 202 P CB -0.259 31.176 31.700 -0.442 0.000 0.911 203 Y N -3.535 116.639 120.300 -0.210 0.000 2.462 203 Y HA 0.186 4.736 4.550 -0.000 0.000 0.261 203 Y C 1.681 177.429 175.900 -0.254 0.000 1.146 203 Y CA 0.062 58.029 58.100 -0.221 0.000 1.283 203 Y CB -0.702 37.615 38.460 -0.237 0.000 1.090 203 Y HN -0.107 nan 8.280 nan 0.000 0.526 204 F N 0.268 120.168 119.950 -0.084 0.000 2.325 204 F HA -0.005 4.522 4.527 -0.000 0.000 0.299 204 F C 1.006 176.750 175.800 -0.093 0.000 1.090 204 F CA 0.082 58.040 58.000 -0.071 0.000 1.392 204 F CB -0.366 38.591 39.000 -0.071 0.000 1.053 204 F HN -0.166 nan 8.300 nan 0.000 0.521 205 I N 2.869 123.435 120.570 -0.008 0.000 2.919 205 I HA -0.201 3.969 4.170 -0.000 0.000 0.299 205 I C 0.925 177.045 176.117 0.004 0.000 1.221 205 I CA 0.414 61.695 61.300 -0.031 0.000 1.424 205 I CB 0.085 38.021 38.000 -0.107 0.000 1.358 205 I HN 0.263 nan 8.210 nan 0.000 0.551 206 N N 5.665 124.379 118.700 0.024 0.000 2.187 206 N HA 0.036 4.776 4.740 -0.000 0.000 0.212 206 N C -0.153 175.361 175.510 0.006 0.000 1.152 206 N CA -0.094 52.966 53.050 0.017 0.000 0.872 206 N CB 0.631 39.137 38.487 0.031 0.000 1.025 206 N HN 0.389 nan 8.380 nan 0.000 0.514 207 K N 1.271 121.674 120.400 0.005 0.000 2.687 207 K HA 0.333 4.653 4.320 -0.000 0.000 0.197 207 K C -2.123 174.474 176.600 -0.006 0.000 1.049 207 K CA -1.545 54.742 56.287 0.000 0.000 1.030 207 K CB 2.469 34.972 32.500 0.006 0.000 1.261 207 K HN -0.124 nan 8.250 nan 0.000 0.565 208 P HA -0.133 nan 4.420 nan 0.000 0.216 208 P C 0.883 178.173 177.300 -0.018 0.000 1.150 208 P CA 1.191 64.278 63.100 -0.022 0.000 0.837 208 P CB 0.510 32.195 31.700 -0.025 0.000 0.786 209 E N -0.943 119.248 120.200 -0.015 0.000 2.153 209 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 209 E C 1.893 178.482 176.600 -0.018 0.000 0.988 209 E CA 1.837 58.227 56.400 -0.017 0.000 0.811 209 E CB -0.500 29.192 29.700 -0.015 0.000 0.746 209 E HN 0.415 nan 8.360 nan 0.000 0.466 210 T N -3.147 111.401 114.554 -0.010 0.000 2.985 210 T HA 0.085 4.435 4.350 -0.000 0.000 0.266 210 T C 1.639 176.339 174.700 0.000 0.000 1.076 210 T CA 0.628 62.724 62.100 -0.007 0.000 1.135 210 T CB 0.141 69.013 68.868 0.007 0.000 0.890 210 T HN 0.265 nan 8.240 nan 0.000 0.480 211 G N 1.157 109.961 108.800 0.007 0.000 2.147 211 G HA2 0.142 4.102 3.960 -0.000 0.000 0.244 211 G HA3 0.142 4.102 3.960 -0.000 0.000 0.244 211 G C 0.080 175.028 174.900 0.081 0.000 1.005 211 G CA -0.085 45.030 45.100 0.024 0.000 0.713 211 G HN 1.341 nan 8.290 nan 0.000 0.515 212 A N -1.040 121.823 122.820 0.070 0.000 2.475 212 A HA 0.881 5.201 4.320 -0.000 0.000 0.301 212 A C 0.053 177.685 177.584 0.080 0.000 1.059 212 A CA -0.090 52.020 52.037 0.120 0.000 0.710 212 A CB 1.854 20.911 19.000 0.094 0.000 1.288 212 A HN 1.343 nan 8.150 nan 0.000 0.408 213 V N 0.984 120.966 119.914 0.113 0.000 2.881 213 V HA 0.486 4.606 4.120 -0.000 0.000 0.303 213 V C 0.403 176.531 176.094 0.056 0.000 1.070 213 V CA -0.039 62.309 62.300 0.081 0.000 1.074 213 V CB 1.149 33.032 31.823 0.100 0.000 1.012 213 V HN 0.941 nan 8.190 nan 0.000 0.482 214 E N 3.117 123.344 120.200 0.045 0.000 2.311 214 E HA 0.568 4.918 4.350 -0.000 0.000 0.281 214 E C -2.053 174.563 176.600 0.027 0.000 0.905 214 E CA -0.605 55.811 56.400 0.027 0.000 0.778 214 E CB 1.751 31.464 29.700 0.021 0.000 1.240 214 E HN 0.657 nan 8.360 nan 0.000 0.410 215 L N 3.626 124.859 121.223 0.017 0.000 2.439 215 L HA 0.456 4.796 4.340 -0.000 0.000 0.270 215 L C -0.613 176.257 176.870 -0.001 0.000 0.972 215 L CA -0.653 54.197 54.840 0.017 0.000 0.836 215 L CB 2.140 44.216 42.059 0.028 0.000 1.255 215 L HN 0.567 nan 8.230 nan 0.000 0.404 216 E N 1.286 121.483 120.200 -0.006 0.000 2.216 216 E HA 0.247 4.597 4.350 -0.000 0.000 0.279 216 E C 0.012 176.585 176.600 -0.044 0.000 0.997 216 E CA -0.403 55.984 56.400 -0.022 0.000 0.817 216 E CB 1.581 31.271 29.700 -0.017 0.000 1.096 216 E HN 0.537 nan 8.360 nan 0.000 0.393 217 S N 2.086 117.745 115.700 -0.068 0.000 3.447 217 S HA -0.114 4.356 4.470 -0.000 0.000 0.371 217 S C -2.490 171.997 174.600 -0.189 0.000 0.951 217 S CA -0.163 57.964 58.200 -0.123 0.000 1.269 217 S CB -0.798 62.335 63.200 -0.111 0.000 0.919 217 S HN 0.326 nan 8.310 nan 0.000 0.516 218 P HA 0.633 nan 4.420 nan 0.000 0.287 218 P C -0.197 176.960 177.300 -0.238 0.000 1.290 218 P CA -0.862 62.149 63.100 -0.147 0.000 0.889 218 P CB 0.547 32.236 31.700 -0.020 0.000 1.190 219 F N 0.040 120.001 119.950 0.017 0.000 2.370 219 F HA 0.482 5.009 4.527 -0.000 0.000 0.324 219 F C 0.794 176.606 175.800 0.019 0.000 1.116 219 F CA -0.166 57.844 58.000 0.017 0.000 1.123 219 F CB 0.509 39.518 39.000 0.016 0.000 1.238 219 F HN 0.008 nan 8.300 nan 0.000 0.536 220 I N 2.497 123.198 120.570 0.218 0.000 2.533 220 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 220 I C -1.323 174.856 176.117 0.103 0.000 1.056 220 I CA -0.843 60.534 61.300 0.128 0.000 1.057 220 I CB 2.035 40.089 38.000 0.089 0.000 1.240 220 I HN 0.296 nan 8.210 nan 0.000 0.423 221 L N 7.228 128.495 121.223 0.074 0.000 2.276 221 L HA 0.519 4.859 4.340 -0.000 0.000 0.286 221 L C -1.013 175.874 176.870 0.029 0.000 1.061 221 L CA 0.039 54.906 54.840 0.045 0.000 0.807 221 L CB 0.803 42.884 42.059 0.036 0.000 1.177 221 L HN 0.469 nan 8.230 nan 0.000 0.429 222 L N 6.427 127.661 121.223 0.018 0.000 2.366 222 L HA 0.776 5.116 4.340 -0.000 0.000 0.266 222 L C -0.492 176.375 176.870 -0.005 0.000 1.010 222 L CA -0.251 54.589 54.840 0.001 0.000 0.879 222 L CB 1.131 43.190 42.059 -0.001 0.000 1.228 222 L HN 0.753 nan 8.230 nan 0.000 0.439 223 A N 1.335 124.150 122.820 -0.008 0.000 2.429 223 A HA 0.417 4.737 4.320 -0.000 0.000 0.289 223 A C -1.034 176.543 177.584 -0.011 0.000 1.043 223 A CA -0.559 51.473 52.037 -0.008 0.000 0.722 223 A CB 1.305 20.305 19.000 -0.000 0.000 1.243 223 A HN 0.575 nan 8.150 nan 0.000 0.415 224 D N 2.605 122.996 120.400 -0.015 0.000 2.551 224 D HA 0.364 5.004 4.640 -0.000 0.000 0.223 224 D C 0.095 176.391 176.300 -0.005 0.000 1.144 224 D CA 0.499 54.490 54.000 -0.015 0.000 1.025 224 D CB -0.301 40.486 40.800 -0.022 0.000 1.085 224 D HN 0.559 nan 8.370 nan 0.000 0.506 225 K N 0.110 120.510 120.400 0.000 0.000 2.642 225 K HA 0.376 4.696 4.320 -0.000 0.000 0.290 225 K C -1.043 175.564 176.600 0.012 0.000 1.006 225 K CA -1.164 55.127 56.287 0.006 0.000 0.869 225 K CB 1.002 33.505 32.500 0.006 0.000 1.499 225 K HN -0.166 nan 8.250 nan 0.000 0.403 226 K N 1.287 121.696 120.400 0.016 0.000 2.205 226 K HA 0.401 4.721 4.320 -0.000 0.000 0.279 226 K C -0.578 176.036 176.600 0.022 0.000 1.027 226 K CA -0.505 55.795 56.287 0.022 0.000 0.932 226 K CB 0.839 33.353 32.500 0.023 0.000 1.032 226 K HN 0.408 nan 8.250 nan 0.000 0.466 227 I N 2.334 122.921 120.570 0.027 0.000 2.428 227 I HA 0.086 4.256 4.170 -0.000 0.000 0.279 227 I C 0.606 176.742 176.117 0.031 0.000 1.040 227 I CA -0.075 61.242 61.300 0.028 0.000 1.171 227 I CB 1.586 39.605 38.000 0.031 0.000 1.312 227 I HN 0.608 nan 8.210 nan 0.000 0.470 228 S N 3.501 119.217 115.700 0.026 0.000 2.371 228 S HA 0.112 4.582 4.470 -0.000 0.000 0.219 228 S C 0.634 175.249 174.600 0.024 0.000 1.040 228 S CA 0.613 58.828 58.200 0.026 0.000 0.958 228 S CB -0.028 63.184 63.200 0.021 0.000 0.860 228 S HN 0.654 nan 8.310 nan 0.000 0.487 229 N N 0.520 119.232 118.700 0.020 0.000 2.430 229 N HA 0.392 5.132 4.740 -0.000 0.000 0.292 229 N C -0.208 175.313 175.510 0.017 0.000 1.051 229 N CA -0.191 52.869 53.050 0.017 0.000 0.917 229 N CB 1.659 40.154 38.487 0.012 0.000 1.164 229 N HN 0.070 nan 8.380 nan 0.000 0.484 230 I N 1.720 122.300 120.570 0.018 0.000 3.680 230 I HA -0.008 4.162 4.170 -0.000 0.000 0.306 230 I C 2.096 178.220 176.117 0.012 0.000 1.260 230 I CA 0.203 61.514 61.300 0.018 0.000 1.201 230 I CB -0.166 37.847 38.000 0.022 0.000 1.009 230 I HN 0.537 nan 8.210 nan 0.000 0.467 231 R N 0.924 121.429 120.500 0.009 0.000 2.189 231 R HA -0.133 4.207 4.340 -0.000 0.000 0.223 231 R C 1.416 177.719 176.300 0.004 0.000 1.092 231 R CA 1.249 57.352 56.100 0.006 0.000 0.989 231 R CB 0.011 30.314 30.300 0.005 0.000 0.876 231 R HN 0.532 nan 8.270 nan 0.000 0.457 232 E N -0.582 119.622 120.200 0.007 0.000 2.358 232 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 232 E C 1.684 178.286 176.600 0.003 0.000 1.010 232 E CA 0.516 56.919 56.400 0.005 0.000 0.856 232 E CB 0.131 29.835 29.700 0.007 0.000 0.795 232 E HN 0.201 nan 8.360 nan 0.000 0.504 233 M N 0.140 119.743 119.600 0.006 0.000 2.514 233 M HA 0.060 4.540 4.480 -0.000 0.000 0.258 233 M C 2.012 178.310 176.300 -0.002 0.000 1.119 233 M CA 0.651 55.954 55.300 0.005 0.000 1.111 233 M CB -0.223 32.386 32.600 0.015 0.000 1.390 233 M HN 0.164 nan 8.290 nan 0.000 0.475 234 L N 1.139 122.360 121.223 -0.003 0.000 2.012 234 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 234 L C -0.474 176.387 176.870 -0.015 0.000 1.073 234 L CA 1.482 56.318 54.840 -0.007 0.000 0.748 234 L CB -2.128 39.928 42.059 -0.005 0.000 0.891 234 L HN 0.163 nan 8.230 nan 0.000 0.431 235 P HA -0.050 nan 4.420 nan 0.000 0.244 235 P C 1.033 178.313 177.300 -0.033 0.000 1.211 235 P CA 0.938 64.025 63.100 -0.022 0.000 0.760 235 P CB 0.257 31.947 31.700 -0.017 0.000 0.961 236 V N -1.300 118.592 119.914 -0.035 0.000 3.159 236 V HA 0.066 4.186 4.120 -0.000 0.000 0.234 236 V C 2.267 178.324 176.094 -0.062 0.000 1.313 236 V CA 0.165 62.433 62.300 -0.054 0.000 1.271 236 V CB -0.580 31.218 31.823 -0.042 0.000 1.053 236 V HN -0.008 nan 8.190 nan 0.000 0.476 237 L N 0.327 121.530 121.223 -0.035 0.000 2.217 237 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 237 L C 2.358 179.211 176.870 -0.028 0.000 1.107 237 L CA 1.580 56.406 54.840 -0.024 0.000 0.783 237 L CB -0.062 41.996 42.059 -0.002 0.000 0.919 237 L HN 0.375 nan 8.230 nan 0.000 0.442 238 E N -0.014 120.168 120.200 -0.030 0.000 2.204 238 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 238 E C 1.025 177.604 176.600 -0.035 0.000 0.990 238 E CA 0.832 57.217 56.400 -0.026 0.000 0.821 238 E CB -0.061 29.625 29.700 -0.023 0.000 0.750 238 E HN 0.535 nan 8.360 nan 0.000 0.477 239 A N 0.753 123.537 122.820 -0.060 0.000 3.293 239 A HA 0.296 4.616 4.320 -0.000 0.000 0.282 239 A C 0.818 178.336 177.584 -0.110 0.000 1.394 239 A CA -0.207 51.783 52.037 -0.079 0.000 1.118 239 A CB 0.267 19.208 19.000 -0.099 0.000 1.133 239 A HN 0.033 nan 8.150 nan 0.000 0.627 240 V N -0.780 119.100 119.914 -0.056 0.000 3.090 240 V HA 0.055 4.175 4.120 -0.000 0.000 0.237 240 V C 2.571 178.684 176.094 0.032 0.000 1.209 240 V CA 1.389 63.676 62.300 -0.022 0.000 1.209 240 V CB -0.103 31.721 31.823 0.001 0.000 0.971 240 V HN 0.602 nan 8.190 nan 0.000 0.477 241 A N -0.272 122.560 122.820 0.020 0.000 1.968 241 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 241 A C 1.620 179.220 177.584 0.026 0.000 1.169 241 A CA 1.133 53.187 52.037 0.027 0.000 0.638 241 A CB -0.221 18.790 19.000 0.017 0.000 0.812 241 A HN 0.433 nan 8.150 nan 0.000 0.446 242 K N -0.076 120.331 120.400 0.012 0.000 2.997 242 K HA 0.474 4.794 4.320 -0.000 0.000 0.249 242 K C 0.157 176.766 176.600 0.015 0.000 1.284 242 K CA 0.369 56.663 56.287 0.012 0.000 1.245 242 K CB 0.127 32.627 32.500 -0.001 0.000 1.670 242 K HN 0.388 nan 8.250 nan 0.000 0.385 243 A N -0.684 122.168 122.820 0.053 0.000 2.680 243 A HA 0.315 4.635 4.320 -0.000 0.000 0.183 243 A C 1.143 178.834 177.584 0.179 0.000 1.506 243 A CA 0.388 52.492 52.037 0.112 0.000 1.119 243 A CB 0.340 19.385 19.000 0.074 0.000 1.424 243 A HN 0.483 nan 8.150 nan 0.000 0.540 244 G N -0.374 108.498 108.800 0.121 0.000 2.284 244 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.247 244 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.247 244 G C 0.204 175.162 174.900 0.097 0.000 1.012 244 G CA 0.879 46.035 45.100 0.094 0.000 0.618 244 G HN 0.698 nan 8.290 nan 0.000 0.521 245 K N 0.364 120.863 120.400 0.164 0.000 2.508 245 K HA 0.562 4.882 4.320 -0.000 0.000 0.260 245 K C -2.538 174.187 176.600 0.209 0.000 0.949 245 K CA -1.936 54.428 56.287 0.128 0.000 0.834 245 K CB 2.776 35.283 32.500 0.011 0.000 1.365 245 K HN 0.000 nan 8.250 nan 0.000 0.437 246 P HA 0.200 nan 4.420 nan 0.000 0.317 246 P C -1.345 176.093 177.300 0.230 0.000 1.316 246 P CA -0.552 62.639 63.100 0.152 0.000 0.744 246 P CB 0.395 32.151 31.700 0.094 0.000 1.521 247 L N -1.554 119.771 121.223 0.170 0.000 2.506 247 L HA 0.634 4.974 4.340 -0.000 0.000 0.257 247 L C -2.006 174.931 176.870 0.111 0.000 0.964 247 L CA -0.799 54.149 54.840 0.180 0.000 0.836 247 L CB 1.767 43.918 42.059 0.154 0.000 1.384 247 L HN 0.133 nan 8.230 nan 0.000 0.410 248 L N 4.658 125.941 121.223 0.100 0.000 2.365 248 L HA 0.737 5.077 4.340 -0.000 0.000 0.273 248 L C -1.486 175.418 176.870 0.056 0.000 1.000 248 L CA -0.323 54.550 54.840 0.055 0.000 0.819 248 L CB 1.764 43.851 42.059 0.048 0.000 1.284 248 L HN 0.449 nan 8.230 nan 0.000 0.418 249 I N 6.668 127.256 120.570 0.031 0.000 2.339 249 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 249 I C -0.333 175.805 176.117 0.036 0.000 0.994 249 I CA -0.259 61.061 61.300 0.034 0.000 1.191 249 I CB 1.230 39.249 38.000 0.032 0.000 1.343 249 I HN 0.565 nan 8.210 nan 0.000 0.458 250 I N 5.752 126.345 120.570 0.039 0.000 2.621 250 I HA 0.515 4.685 4.170 -0.000 0.000 0.276 250 I C 0.386 176.502 176.117 -0.001 0.000 1.118 250 I CA -0.185 61.134 61.300 0.032 0.000 1.159 250 I CB 0.996 39.015 38.000 0.031 0.000 1.357 250 I HN 0.635 nan 8.210 nan 0.000 0.513 251 A N 3.248 126.074 122.820 0.010 0.000 2.392 251 A HA 0.481 4.801 4.320 -0.000 0.000 0.283 251 A C 1.087 178.674 177.584 0.006 0.000 1.197 251 A CA -0.445 51.595 52.037 0.004 0.000 0.895 251 A CB 1.150 20.159 19.000 0.015 0.000 1.400 251 A HN 0.611 nan 8.150 nan 0.000 0.461 252 E N -0.737 119.467 120.200 0.007 0.000 2.070 252 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 252 E C -0.210 176.407 176.600 0.028 0.000 1.004 252 E CA 1.821 58.229 56.400 0.014 0.000 0.805 252 E CB 0.141 29.850 29.700 0.016 0.000 0.744 252 E HN 0.600 nan 8.360 nan 0.000 0.451 253 D N -2.087 118.333 120.400 0.032 0.000 2.742 253 D HA 0.150 4.790 4.640 -0.000 0.000 0.262 253 D C -1.784 174.544 176.300 0.047 0.000 1.240 253 D CA -0.463 53.564 54.000 0.044 0.000 0.752 253 D CB 1.890 42.718 40.800 0.046 0.000 1.290 253 D HN -0.107 nan 8.370 nan 0.000 0.420 254 V N 1.892 121.842 119.914 0.060 0.000 2.448 254 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 254 V C -0.124 176.014 176.094 0.073 0.000 1.025 254 V CA -0.513 61.828 62.300 0.068 0.000 0.859 254 V CB 1.666 33.540 31.823 0.086 0.000 0.988 254 V HN 0.394 nan 8.190 nan 0.000 0.431 255 E N 2.161 122.397 120.200 0.061 0.000 2.312 255 E HA 0.638 4.987 4.350 -0.000 0.000 0.267 255 E C 0.868 177.497 176.600 0.049 0.000 0.894 255 E CA -0.061 56.372 56.400 0.055 0.000 0.773 255 E CB 2.259 31.985 29.700 0.044 0.000 1.241 255 E HN 0.827 nan 8.360 nan 0.000 0.432 256 G N 2.237 111.064 108.800 0.045 0.000 2.752 256 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.349 256 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.349 256 G C 1.125 176.042 174.900 0.029 0.000 1.181 256 G CA 0.971 46.092 45.100 0.034 0.000 0.949 256 G HN 0.637 nan 8.290 nan 0.000 0.562 257 E N 1.626 121.840 120.200 0.024 0.000 2.107 257 E HA 0.083 4.433 4.350 -0.000 0.000 0.191 257 E C 2.962 179.577 176.600 0.025 0.000 0.982 257 E CA 1.650 58.061 56.400 0.018 0.000 0.809 257 E CB -0.493 29.215 29.700 0.013 0.000 0.756 257 E HN 0.712 nan 8.360 nan 0.000 0.459 258 A N 0.976 123.816 122.820 0.034 0.000 1.969 258 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 258 A C 2.179 179.802 177.584 0.065 0.000 1.169 258 A CA 0.961 53.025 52.037 0.045 0.000 0.635 258 A CB -0.442 18.586 19.000 0.046 0.000 0.810 258 A HN 0.303 nan 8.150 nan 0.000 0.445 259 L N -0.303 120.962 121.223 0.070 0.000 2.007 259 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 259 L C 2.688 179.593 176.870 0.059 0.000 1.073 259 L CA 2.103 57.001 54.840 0.096 0.000 0.744 259 L CB -0.650 41.467 42.059 0.097 0.000 0.898 259 L HN 0.290 nan 8.230 nan 0.000 0.435 260 A N -1.605 121.228 122.820 0.022 0.000 2.076 260 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 260 A C 2.160 179.726 177.584 -0.029 0.000 1.160 260 A CA 2.191 54.217 52.037 -0.019 0.000 0.653 260 A CB -1.124 17.863 19.000 -0.022 0.000 0.801 260 A HN 0.586 nan 8.150 nan 0.000 0.455 261 T N 0.000 114.553 114.554 -0.002 0.000 2.896 261 T HA 0.062 4.412 4.350 -0.000 0.000 0.263 261 T C 1.517 176.220 174.700 0.005 0.000 1.050 261 T CA 1.162 63.261 62.100 -0.001 0.000 1.140 261 T CB -0.213 68.663 68.868 0.014 0.000 0.877 261 T HN 0.403 nan 8.240 nan 0.000 0.457 262 L N 0.698 121.946 121.223 0.042 0.000 2.558 262 L HA 0.171 4.511 4.340 -0.000 0.000 0.225 262 L C 2.153 178.988 176.870 -0.059 0.000 1.128 262 L CA 0.041 54.938 54.840 0.095 0.000 0.868 262 L CB -0.245 41.959 42.059 0.241 0.000 1.006 262 L HN 0.110 nan 8.230 nan 0.000 0.454 263 V N -0.751 119.067 119.914 -0.160 0.000 2.379 263 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 263 V C 2.158 178.060 176.094 -0.320 0.000 1.035 263 V CA 1.198 63.276 62.300 -0.370 0.000 1.035 263 V CB 0.407 32.089 31.823 -0.235 0.000 0.673 263 V HN 0.205 nan 8.190 nan 0.000 0.457 264 V N 0.165 119.960 119.914 -0.198 0.000 2.951 264 V HA -0.005 4.115 4.120 -0.000 0.000 0.255 264 V C 1.936 177.962 176.094 -0.115 0.000 1.088 264 V CA 1.091 63.292 62.300 -0.164 0.000 1.109 264 V CB -0.794 30.952 31.823 -0.129 0.000 0.724 264 V HN 0.478 nan 8.190 nan 0.000 0.471 265 N N 0.893 119.540 118.700 -0.088 0.000 2.494 265 N HA -0.083 4.656 4.740 -0.000 0.000 0.182 265 N C 1.933 177.423 175.510 -0.032 0.000 1.076 265 N CA 1.554 54.579 53.050 -0.042 0.000 0.908 265 N CB -0.042 38.441 38.487 -0.008 0.000 0.967 265 N HN 0.727 nan 8.380 nan 0.000 0.449 266 T N -2.778 111.734 114.554 -0.071 0.000 3.033 266 T HA 0.133 4.483 4.350 -0.000 0.000 0.248 266 T C 1.912 176.574 174.700 -0.064 0.000 1.040 266 T CA 0.058 62.133 62.100 -0.042 0.000 1.133 266 T CB -0.038 68.808 68.868 -0.037 0.000 0.895 266 T HN -0.025 nan 8.240 nan 0.000 0.465 267 M N 0.600 120.132 119.600 -0.113 0.000 2.132 267 M HA 0.121 4.601 4.480 -0.000 0.000 0.263 267 M C 2.418 178.677 176.300 -0.069 0.000 1.065 267 M CA 1.412 56.656 55.300 -0.094 0.000 1.122 267 M CB 0.008 32.523 32.600 -0.142 0.000 1.365 267 M HN 0.075 nan 8.290 nan 0.000 0.411 268 R N -0.766 119.694 120.500 -0.068 0.000 2.297 268 R HA 0.118 4.458 4.340 -0.000 0.000 0.197 268 R C 0.966 177.246 176.300 -0.034 0.000 0.943 268 R CA 0.659 56.729 56.100 -0.050 0.000 1.038 268 R CB 0.203 30.473 30.300 -0.050 0.000 0.957 268 R HN 0.643 nan 8.270 nan 0.000 0.484 269 G N 1.284 110.067 108.800 -0.029 0.000 2.143 269 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 269 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 269 G C 0.119 175.017 174.900 -0.004 0.000 0.991 269 G CA -0.036 45.057 45.100 -0.012 0.000 0.689 269 G HN 0.269 nan 8.290 nan 0.000 0.522 270 I N 1.149 121.715 120.570 -0.008 0.000 2.256 270 I HA 0.403 4.573 4.170 -0.000 0.000 0.294 270 I C 0.739 176.862 176.117 0.010 0.000 1.127 270 I CA -0.720 60.579 61.300 -0.001 0.000 1.247 270 I CB 0.740 38.735 38.000 -0.008 0.000 1.460 270 I HN 0.104 nan 8.210 nan 0.000 0.511 271 V N 4.927 124.853 119.914 0.021 0.000 3.699 271 V HA -0.222 3.898 4.120 -0.000 0.000 0.464 271 V C 0.344 176.470 176.094 0.053 0.000 0.681 271 V CA 0.392 62.714 62.300 0.037 0.000 1.940 271 V CB -1.320 30.523 31.823 0.034 0.000 2.368 271 V HN 0.790 nan 8.190 nan 0.000 0.496 272 K N 3.607 124.046 120.400 0.065 0.000 2.310 272 K HA 0.592 4.912 4.320 -0.000 0.000 0.290 272 K C -0.322 176.353 176.600 0.124 0.000 1.077 272 K CA -0.362 55.981 56.287 0.093 0.000 0.922 272 K CB 1.512 34.061 32.500 0.082 0.000 1.057 272 K HN 0.494 nan 8.250 nan 0.000 0.479 273 V N 2.505 122.523 119.914 0.173 0.000 2.577 273 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 273 V C -0.374 175.876 176.094 0.260 0.000 1.042 273 V CA -1.048 61.359 62.300 0.177 0.000 0.872 273 V CB 1.671 33.582 31.823 0.148 0.000 0.998 273 V HN 0.840 nan 8.190 nan 0.000 0.423 274 A N 3.598 126.471 122.820 0.088 0.000 2.312 274 A HA 0.989 5.309 4.320 -0.000 0.000 0.328 274 A C -0.017 177.413 177.584 -0.256 0.000 1.158 274 A CA -0.159 51.751 52.037 -0.211 0.000 0.821 274 A CB 1.394 20.285 19.000 -0.182 0.000 1.170 274 A HN 1.539 nan 8.150 nan 0.000 0.490 275 A N 1.043 123.538 122.820 -0.542 0.000 2.422 275 A HA 0.757 5.077 4.320 -0.000 0.000 0.302 275 A C -0.426 177.037 177.584 -0.202 0.000 1.041 275 A CA -0.025 51.874 52.037 -0.229 0.000 0.708 275 A CB 1.200 20.162 19.000 -0.062 0.000 1.257 275 A HN 2.218 nan 8.150 nan 0.000 0.414 276 V N -0.934 118.952 119.914 -0.048 0.000 3.182 276 V HA 0.641 4.761 4.120 -0.000 0.000 0.308 276 V C -0.348 175.790 176.094 0.072 0.000 1.240 276 V CA -1.348 60.966 62.300 0.023 0.000 1.063 276 V CB 1.306 33.168 31.823 0.065 0.000 1.076 276 V HN 0.861 nan 8.190 nan 0.000 0.446 277 K N 0.937 121.398 120.400 0.102 0.000 2.219 277 K HA 0.679 4.999 4.320 -0.000 0.000 0.258 277 K C 0.223 176.876 176.600 0.088 0.000 1.008 277 K CA 0.255 56.597 56.287 0.093 0.000 0.928 277 K CB 1.223 33.780 32.500 0.095 0.000 0.983 277 K HN 1.075 nan 8.250 nan 0.000 0.484 278 A N 3.113 125.938 122.820 0.008 0.000 2.351 278 A HA 0.317 4.637 4.320 -0.000 0.000 0.257 278 A C -2.213 175.297 177.584 -0.124 0.000 1.087 278 A CA -1.351 50.622 52.037 -0.106 0.000 0.798 278 A CB -0.113 18.837 19.000 -0.084 0.000 1.033 278 A HN 0.428 nan 8.150 nan 0.000 0.488 279 P HA 0.462 nan 4.420 nan 0.000 0.282 279 P C 0.404 177.660 177.300 -0.074 0.000 1.262 279 P CA 1.274 64.259 63.100 -0.192 0.000 0.773 279 P CB 0.782 32.222 31.700 -0.433 0.000 0.879 280 G N 3.025 111.848 108.800 0.038 0.000 2.710 280 G HA2 0.027 3.987 3.960 -0.000 0.000 0.668 280 G HA3 0.027 3.987 3.960 -0.000 0.000 0.668 280 G C -1.170 173.816 174.900 0.144 0.000 1.320 280 G CA -0.518 44.629 45.100 0.078 0.000 0.860 280 G HN 0.620 nan 8.290 nan 0.000 0.538 281 F N -0.649 119.308 119.950 0.012 0.000 2.551 281 F HA 0.769 5.296 4.527 -0.000 0.000 0.316 281 F C 1.225 177.030 175.800 0.010 0.000 1.089 281 F CA 0.085 58.091 58.000 0.010 0.000 0.915 281 F CB 1.322 40.331 39.000 0.015 0.000 1.186 281 F HN 2.297 nan 8.300 nan 0.000 0.456 282 G N 2.523 111.355 108.800 0.053 0.000 2.879 282 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.353 282 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.353 282 G C 0.821 175.647 174.900 -0.124 0.000 1.182 282 G CA 1.229 46.320 45.100 -0.016 0.000 0.957 282 G HN 0.727 nan 8.290 nan 0.000 0.587 283 D N 1.046 121.317 120.400 -0.214 0.000 2.084 283 D HA -0.047 4.593 4.640 -0.000 0.000 0.196 283 D C 2.649 178.837 176.300 -0.187 0.000 0.985 283 D CA 1.763 55.659 54.000 -0.173 0.000 0.826 283 D CB -0.363 40.343 40.800 -0.157 0.000 0.978 283 D HN 0.758 nan 8.370 nan 0.000 0.456 284 R N 0.679 121.002 120.500 -0.296 0.000 2.193 284 R HA 0.094 4.434 4.340 -0.000 0.000 0.213 284 R C 2.130 178.333 176.300 -0.162 0.000 1.055 284 R CA 0.509 56.479 56.100 -0.217 0.000 0.995 284 R CB -0.177 29.981 30.300 -0.237 0.000 0.893 284 R HN 0.054 nan 8.270 nan 0.000 0.459 285 R N 1.702 122.108 120.500 -0.157 0.000 2.073 285 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 285 R C 1.641 177.889 176.300 -0.087 0.000 1.134 285 R CA 1.749 57.792 56.100 -0.094 0.000 0.952 285 R CB 0.033 30.307 30.300 -0.044 0.000 0.850 285 R HN 0.209 nan 8.270 nan 0.000 0.433 286 K N -0.748 119.605 120.400 -0.078 0.000 2.217 286 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 286 K C 1.762 178.323 176.600 -0.065 0.000 1.051 286 K CA 1.111 57.361 56.287 -0.062 0.000 0.952 286 K CB 0.178 32.649 32.500 -0.049 0.000 0.736 286 K HN 0.208 nan 8.250 nan 0.000 0.453 287 A N 0.438 123.212 122.820 -0.076 0.000 2.014 287 A HA 0.091 4.411 4.320 -0.000 0.000 0.210 287 A C 1.935 179.473 177.584 -0.077 0.000 1.188 287 A CA 0.331 52.327 52.037 -0.069 0.000 0.731 287 A CB -0.087 18.873 19.000 -0.067 0.000 0.858 287 A HN 0.077 nan 8.150 nan 0.000 0.464 288 M N -0.673 118.870 119.600 -0.095 0.000 2.254 288 M HA 0.028 4.508 4.480 -0.000 0.000 0.265 288 M C 2.070 178.289 176.300 -0.135 0.000 1.066 288 M CA 1.030 56.264 55.300 -0.109 0.000 1.123 288 M CB -0.202 32.324 32.600 -0.123 0.000 1.388 288 M HN 0.486 nan 8.290 nan 0.000 0.425 289 L N -0.010 121.132 121.223 -0.135 0.000 2.141 289 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 289 L C 2.452 179.269 176.870 -0.088 0.000 1.094 289 L CA 1.405 56.165 54.840 -0.134 0.000 0.763 289 L CB -0.138 41.855 42.059 -0.111 0.000 0.908 289 L HN 0.267 nan 8.230 nan 0.000 0.437 290 Q N -0.147 119.611 119.800 -0.070 0.000 2.167 290 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 290 Q C 1.206 177.180 176.000 -0.043 0.000 0.970 290 Q CA 1.573 57.347 55.803 -0.048 0.000 0.855 290 Q CB 0.030 28.743 28.738 -0.042 0.000 0.911 290 Q HN 0.415 nan 8.270 nan 0.000 0.438 291 D N -0.744 119.625 120.400 -0.052 0.000 2.358 291 D HA 0.012 4.652 4.640 -0.000 0.000 0.241 291 D C 0.664 176.944 176.300 -0.035 0.000 1.094 291 D CA 0.562 54.538 54.000 -0.041 0.000 0.907 291 D CB 0.202 40.976 40.800 -0.043 0.000 0.893 291 D HN 0.440 nan 8.370 nan 0.000 0.528 292 I N -0.751 119.794 120.570 -0.042 0.000 4.433 292 I HA 0.115 4.285 4.170 -0.000 0.000 0.322 292 I C 2.208 178.317 176.117 -0.013 0.000 1.284 292 I CA 0.049 61.333 61.300 -0.026 0.000 1.269 292 I CB 0.107 38.076 38.000 -0.052 0.000 1.219 292 I HN -0.129 nan 8.210 nan 0.000 0.436 293 A N 1.231 124.039 122.820 -0.020 0.000 1.892 293 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 293 A C 2.063 179.646 177.584 -0.001 0.000 1.188 293 A CA 2.597 54.628 52.037 -0.009 0.000 0.631 293 A CB -1.133 17.858 19.000 -0.015 0.000 0.822 293 A HN 0.421 nan 8.150 nan 0.000 0.447 294 T N -1.006 113.545 114.554 -0.005 0.000 3.219 294 T HA 0.288 4.638 4.350 -0.000 0.000 0.249 294 T C 1.001 175.702 174.700 0.002 0.000 1.099 294 T CA 0.663 62.762 62.100 -0.002 0.000 0.988 294 T CB 0.204 69.069 68.868 -0.005 0.000 0.999 294 T HN 0.243 nan 8.240 nan 0.000 0.550 295 L N 1.469 122.695 121.223 0.005 0.000 2.672 295 L HA 0.290 4.630 4.340 -0.000 0.000 0.236 295 L C 1.926 178.804 176.870 0.013 0.000 1.092 295 L CA 0.824 55.669 54.840 0.009 0.000 0.887 295 L CB 0.327 42.394 42.059 0.013 0.000 1.168 295 L HN 0.280 nan 8.230 nan 0.000 0.502 296 T N -4.929 109.636 114.554 0.017 0.000 3.043 296 T HA 0.387 4.737 4.350 -0.000 0.000 0.272 296 T C 1.245 175.961 174.700 0.028 0.000 0.990 296 T CA 0.230 62.344 62.100 0.023 0.000 0.897 296 T CB 0.384 69.271 68.868 0.033 0.000 1.111 296 T HN 0.384 nan 8.240 nan 0.000 0.529 297 G N 0.587 109.401 108.800 0.023 0.000 2.160 297 G HA2 0.028 3.988 3.960 -0.000 0.000 0.244 297 G HA3 0.028 3.988 3.960 -0.000 0.000 0.244 297 G C 0.431 175.351 174.900 0.033 0.000 1.022 297 G CA -0.081 45.035 45.100 0.026 0.000 0.741 297 G HN 1.021 nan 8.290 nan 0.000 0.508 298 G N -1.564 107.254 108.800 0.030 0.000 2.702 298 G HA2 0.862 4.822 3.960 -0.000 0.000 0.254 298 G HA3 0.862 4.822 3.960 -0.000 0.000 0.254 298 G C -0.315 174.595 174.900 0.016 0.000 1.380 298 G CA 0.327 45.445 45.100 0.030 0.000 1.042 298 G HN 0.915 nan 8.290 nan 0.000 0.557 299 T N -0.875 113.685 114.554 0.011 0.000 2.956 299 T HA 0.386 4.736 4.350 -0.000 0.000 0.312 299 T C -0.733 173.966 174.700 -0.002 0.000 1.151 299 T CA -0.419 61.682 62.100 0.002 0.000 1.024 299 T CB 1.932 70.801 68.868 0.002 0.000 1.140 299 T HN 0.347 nan 8.240 nan 0.000 0.473 300 V N 3.312 123.221 119.914 -0.008 0.000 2.479 300 V HA 0.256 4.376 4.120 -0.000 0.000 0.281 300 V C 0.001 176.089 176.094 -0.010 0.000 1.031 300 V CA -0.054 62.238 62.300 -0.013 0.000 1.038 300 V CB -0.059 31.752 31.823 -0.020 0.000 0.981 300 V HN 0.690 nan 8.190 nan 0.000 0.478 301 I N 6.125 126.690 120.570 -0.009 0.000 2.337 301 I HA 0.369 4.539 4.170 -0.000 0.000 0.285 301 I C 0.415 176.527 176.117 -0.007 0.000 1.041 301 I CA 0.213 61.509 61.300 -0.006 0.000 1.199 301 I CB 0.974 38.972 38.000 -0.004 0.000 1.370 301 I HN 0.725 nan 8.210 nan 0.000 0.470 302 S N 3.068 118.763 115.700 -0.007 0.000 2.715 302 S HA 0.457 4.927 4.470 -0.000 0.000 0.307 302 S C 0.225 174.822 174.600 -0.004 0.000 1.119 302 S CA -0.874 57.322 58.200 -0.007 0.000 0.937 302 S CB 1.895 65.089 63.200 -0.010 0.000 1.150 302 S HN 0.547 nan 8.310 nan 0.000 0.521 303 E N 0.006 120.204 120.200 -0.003 0.000 2.403 303 E HA 0.093 4.443 4.350 -0.000 0.000 0.188 303 E C 0.426 177.025 176.600 -0.002 0.000 1.056 303 E CA 0.070 56.469 56.400 -0.002 0.000 0.892 303 E CB 0.053 29.753 29.700 0.000 0.000 1.049 303 E HN 0.654 nan 8.360 nan 0.000 0.465 304 E N -0.235 119.963 120.200 -0.004 0.000 2.251 304 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 304 E C 1.652 178.249 176.600 -0.004 0.000 0.964 304 E CA 0.336 56.734 56.400 -0.004 0.000 0.868 304 E CB 0.401 30.097 29.700 -0.006 0.000 0.828 304 E HN 0.215 nan 8.360 nan 0.000 0.481 305 I N -0.648 119.919 120.570 -0.005 0.000 2.405 305 I HA 0.150 4.320 4.170 -0.000 0.000 0.236 305 I C 1.504 177.619 176.117 -0.003 0.000 1.071 305 I CA 0.975 62.272 61.300 -0.004 0.000 1.398 305 I CB 0.218 38.215 38.000 -0.005 0.000 1.162 305 I HN 0.173 nan 8.210 nan 0.000 0.432 306 G N 0.643 109.441 108.800 -0.003 0.000 3.034 306 G HA2 0.077 4.037 3.960 -0.000 0.000 0.222 306 G HA3 0.077 4.037 3.960 -0.000 0.000 0.222 306 G C -0.193 174.705 174.900 -0.003 0.000 0.980 306 G CA -0.656 44.442 45.100 -0.003 0.000 1.008 306 G HN 0.068 nan 8.290 nan 0.000 0.632 307 M N 1.136 120.734 119.600 -0.003 0.000 2.197 307 M HA 0.487 4.967 4.480 -0.000 0.000 0.301 307 M C -0.133 176.165 176.300 -0.003 0.000 0.987 307 M CA -0.470 54.828 55.300 -0.003 0.000 0.921 307 M CB 2.163 34.761 32.600 -0.004 0.000 1.569 307 M HN 0.171 nan 8.290 nan 0.000 0.431 308 E N 1.835 122.033 120.200 -0.003 0.000 2.803 308 E HA 0.423 4.773 4.350 -0.000 0.000 0.250 308 E C 0.421 177.020 176.600 -0.002 0.000 1.102 308 E CA -0.735 55.664 56.400 -0.002 0.000 1.017 308 E CB 1.330 31.030 29.700 -0.001 0.000 1.346 308 E HN 0.636 nan 8.360 nan 0.000 0.532 309 L N 0.902 122.124 121.223 -0.001 0.000 2.552 309 L HA -0.069 4.271 4.340 -0.000 0.000 0.227 309 L C 1.444 178.310 176.870 -0.006 0.000 1.146 309 L CA 0.683 55.522 54.840 -0.003 0.000 0.858 309 L CB -0.168 41.891 42.059 0.001 0.000 0.969 309 L HN 0.462 nan 8.230 nan 0.000 0.451 310 E N -0.231 119.966 120.200 -0.006 0.000 2.190 310 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 310 E C 1.972 178.566 176.600 -0.010 0.000 0.978 310 E CA 0.465 56.861 56.400 -0.008 0.000 0.839 310 E CB 0.192 29.889 29.700 -0.006 0.000 0.787 310 E HN 0.165 nan 8.360 nan 0.000 0.473 311 K N 0.536 120.931 120.400 -0.008 0.000 2.211 311 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 311 K C 0.699 177.292 176.600 -0.012 0.000 1.050 311 K CA 0.558 56.840 56.287 -0.009 0.000 0.945 311 K CB -0.029 32.468 32.500 -0.006 0.000 0.732 311 K HN 0.061 nan 8.250 nan 0.000 0.451 312 A N 1.457 124.270 122.820 -0.013 0.000 2.327 312 A HA 0.309 4.629 4.320 -0.000 0.000 0.283 312 A C 1.031 178.598 177.584 -0.028 0.000 1.127 312 A CA -0.105 51.921 52.037 -0.018 0.000 0.810 312 A CB 0.543 19.534 19.000 -0.015 0.000 1.066 312 A HN 0.329 nan 8.150 nan 0.000 0.492 313 T N -0.453 114.079 114.554 -0.038 0.000 3.429 313 T HA 0.307 4.657 4.350 -0.000 0.000 0.212 313 T C 1.068 175.713 174.700 -0.092 0.000 0.980 313 T CA 0.628 62.695 62.100 -0.055 0.000 1.201 313 T CB -0.277 68.564 68.868 -0.045 0.000 1.289 313 T HN 0.329 nan 8.240 nan 0.000 0.346 314 L N -0.122 121.047 121.223 -0.091 0.000 2.885 314 L HA 0.472 4.812 4.340 -0.000 0.000 0.251 314 L C 2.528 179.358 176.870 -0.066 0.000 1.071 314 L CA 0.232 54.987 54.840 -0.142 0.000 0.956 314 L CB 0.630 42.596 42.059 -0.156 0.000 1.483 314 L HN 0.349 nan 8.230 nan 0.000 0.525 315 E N 0.727 120.912 120.200 -0.025 0.000 2.072 315 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 315 E C 0.749 177.361 176.600 0.020 0.000 0.982 315 E CA 1.331 57.737 56.400 0.010 0.000 0.803 315 E CB 0.301 30.005 29.700 0.006 0.000 0.755 315 E HN 0.369 nan 8.360 nan 0.000 0.453 316 D N 0.362 120.765 120.400 0.006 0.000 2.378 316 D HA -0.030 4.610 4.640 -0.000 0.000 0.227 316 D C 0.238 176.552 176.300 0.024 0.000 1.012 316 D CA 0.334 54.341 54.000 0.011 0.000 0.905 316 D CB 0.039 40.839 40.800 0.000 0.000 0.895 316 D HN 0.103 nan 8.370 nan 0.000 0.532 317 L N -0.031 121.213 121.223 0.035 0.000 2.468 317 L HA 0.457 4.797 4.340 -0.000 0.000 0.254 317 L C 1.173 178.118 176.870 0.124 0.000 1.171 317 L CA -0.216 54.670 54.840 0.077 0.000 0.809 317 L CB 1.028 43.130 42.059 0.072 0.000 1.155 317 L HN -0.118 nan 8.230 nan 0.000 0.473 318 G N 0.425 109.312 108.800 0.145 0.000 2.533 318 G HA2 0.505 4.465 3.960 -0.000 0.000 0.310 318 G HA3 0.505 4.465 3.960 -0.000 0.000 0.310 318 G C -0.879 174.091 174.900 0.116 0.000 1.266 318 G CA -0.430 44.739 45.100 0.114 0.000 0.967 318 G HN 0.491 nan 8.290 nan 0.000 0.493 319 Q N 0.325 120.168 119.800 0.072 0.000 2.327 319 Q HA 0.579 4.919 4.340 -0.000 0.000 0.254 319 Q C 0.160 176.113 176.000 -0.077 0.000 0.952 319 Q CA -0.070 55.685 55.803 -0.080 0.000 0.884 319 Q CB 1.852 30.513 28.738 -0.127 0.000 1.224 319 Q HN 0.676 nan 8.270 nan 0.000 0.422 320 A N 1.740 124.484 122.820 -0.126 0.000 2.486 320 A HA 0.499 4.819 4.320 -0.000 0.000 0.289 320 A C -0.378 177.145 177.584 -0.101 0.000 1.176 320 A CA -0.661 51.328 52.037 -0.079 0.000 0.757 320 A CB 1.415 20.390 19.000 -0.041 0.000 1.337 320 A HN 0.749 nan 8.150 nan 0.000 0.423 321 K N -0.771 119.590 120.400 -0.065 0.000 2.402 321 K HA 0.295 4.615 4.320 -0.000 0.000 0.204 321 K C -0.135 176.438 176.600 -0.045 0.000 1.056 321 K CA 0.287 56.537 56.287 -0.062 0.000 1.069 321 K CB 0.876 33.346 32.500 -0.049 0.000 0.888 321 K HN 0.559 nan 8.250 nan 0.000 0.546 322 R N 0.571 121.049 120.500 -0.037 0.000 3.513 322 R HA 0.096 4.436 4.340 -0.000 0.000 0.243 322 R C -2.064 174.224 176.300 -0.021 0.000 1.033 322 R CA -0.423 55.661 56.100 -0.027 0.000 1.083 322 R CB 1.521 31.808 30.300 -0.022 0.000 1.246 322 R HN -0.038 nan 8.270 nan 0.000 0.526 323 V N 0.835 120.739 119.914 -0.017 0.000 2.482 323 V HA 0.675 4.795 4.120 -0.000 0.000 0.295 323 V C -0.676 175.405 176.094 -0.021 0.000 1.026 323 V CA -0.808 61.481 62.300 -0.019 0.000 0.856 323 V CB 1.783 33.601 31.823 -0.009 0.000 1.001 323 V HN 0.361 nan 8.190 nan 0.000 0.424 324 V N 6.483 126.376 119.914 -0.034 0.000 2.394 324 V HA 0.535 4.655 4.120 -0.000 0.000 0.282 324 V C -0.061 176.003 176.094 -0.050 0.000 1.031 324 V CA -0.220 62.064 62.300 -0.027 0.000 0.881 324 V CB 1.510 33.318 31.823 -0.024 0.000 0.982 324 V HN 0.844 nan 8.190 nan 0.000 0.451 325 I N 5.496 126.057 120.570 -0.015 0.000 2.464 325 I HA 0.385 4.555 4.170 -0.000 0.000 0.277 325 I C 0.310 176.457 176.117 0.050 0.000 1.040 325 I CA -0.271 61.020 61.300 -0.016 0.000 1.153 325 I CB 0.794 38.802 38.000 0.014 0.000 1.274 325 I HN 0.528 nan 8.210 nan 0.000 0.469 326 N N 4.324 123.003 118.700 -0.036 0.000 2.374 326 N HA 0.180 4.920 4.740 -0.000 0.000 0.284 326 N C 1.101 176.455 175.510 -0.259 0.000 1.280 326 N CA -0.315 52.712 53.050 -0.038 0.000 0.963 326 N CB 0.950 39.408 38.487 -0.050 0.000 1.141 326 N HN 0.474 nan 8.380 nan 0.000 0.565 327 K N 0.011 120.216 120.400 -0.324 0.000 2.283 327 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 327 K C -0.170 176.153 176.600 -0.461 0.000 1.048 327 K CA 1.290 57.166 56.287 -0.684 0.000 0.948 327 K CB 0.258 32.575 32.500 -0.305 0.000 0.742 327 K HN 0.395 nan 8.250 nan 0.000 0.458 328 D N -0.753 119.491 120.400 -0.260 0.000 2.457 328 D HA 0.001 4.641 4.640 -0.000 0.000 0.254 328 D C 0.028 176.235 176.300 -0.154 0.000 1.097 328 D CA 0.530 54.430 54.000 -0.168 0.000 0.870 328 D CB 1.060 41.803 40.800 -0.095 0.000 1.253 328 D HN 0.198 nan 8.370 nan 0.000 0.500 329 T N -0.501 113.946 114.554 -0.179 0.000 2.881 329 T HA 0.565 4.915 4.350 -0.000 0.000 0.290 329 T C -0.146 174.375 174.700 -0.299 0.000 1.000 329 T CA -0.645 61.320 62.100 -0.226 0.000 0.978 329 T CB 2.232 70.998 68.868 -0.170 0.000 0.997 329 T HN -0.298 nan 8.240 nan 0.000 0.443 330 T N 2.264 116.499 114.554 -0.532 0.000 2.909 330 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 330 T C -0.002 174.370 174.700 -0.546 0.000 1.002 330 T CA -0.639 61.118 62.100 -0.572 0.000 1.074 330 T CB 1.413 69.779 68.868 -0.836 0.000 0.984 330 T HN 0.911 nan 8.240 nan 0.000 0.495 331 T N 2.247 116.626 114.554 -0.292 0.000 3.143 331 T HA 0.509 4.859 4.350 -0.000 0.000 0.312 331 T C -0.807 173.847 174.700 -0.078 0.000 0.986 331 T CA -0.718 61.279 62.100 -0.172 0.000 1.024 331 T CB -0.031 68.764 68.868 -0.121 0.000 1.030 331 T HN 0.484 nan 8.240 nan 0.000 0.448 332 I N 5.998 126.556 120.570 -0.021 0.000 2.371 332 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 332 I C -0.037 176.082 176.117 0.003 0.000 1.028 332 I CA -0.639 60.669 61.300 0.014 0.000 1.345 332 I CB 1.089 39.127 38.000 0.064 0.000 1.407 332 I HN 0.533 nan 8.210 nan 0.000 0.501 333 I N 5.421 125.987 120.570 -0.007 0.000 2.433 333 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 333 I C -0.020 176.089 176.117 -0.012 0.000 1.001 333 I CA -0.515 60.779 61.300 -0.011 0.000 1.119 333 I CB 1.415 39.405 38.000 -0.017 0.000 1.289 333 I HN 0.592 nan 8.210 nan 0.000 0.438 334 D N 4.771 125.165 120.400 -0.010 0.000 2.740 334 D HA -0.139 4.501 4.640 -0.000 0.000 0.231 334 D C 0.348 176.638 176.300 -0.017 0.000 1.194 334 D CA 0.954 54.946 54.000 -0.013 0.000 0.673 334 D CB -0.294 40.496 40.800 -0.016 0.000 0.995 334 D HN 0.817 nan 8.370 nan 0.000 0.411 335 G N -0.740 108.054 108.800 -0.011 0.000 2.599 335 G HA2 0.381 4.341 3.960 -0.000 0.000 0.264 335 G HA3 0.381 4.341 3.960 -0.000 0.000 0.264 335 G C 0.579 175.473 174.900 -0.011 0.000 1.200 335 G CA -0.444 44.648 45.100 -0.013 0.000 0.896 335 G HN 0.278 nan 8.290 nan 0.000 0.536 336 V N 1.335 121.242 119.914 -0.012 0.000 2.070 336 V HA 0.256 4.376 4.120 -0.000 0.000 0.239 336 V C 1.313 177.409 176.094 0.002 0.000 1.472 336 V CA 0.173 62.469 62.300 -0.006 0.000 1.453 336 V CB -0.595 31.226 31.823 -0.003 0.000 1.503 336 V HN 0.747 nan 8.190 nan 0.000 0.501 337 G N 2.445 111.245 108.800 0.001 0.000 2.356 337 G HA2 0.274 4.234 3.960 -0.000 0.000 0.300 337 G HA3 0.274 4.234 3.960 -0.000 0.000 0.300 337 G C 0.050 174.951 174.900 0.002 0.000 1.107 337 G CA -0.453 44.649 45.100 0.003 0.000 0.960 337 G HN 0.494 nan 8.290 nan 0.000 0.418 338 E N 2.548 122.750 120.200 0.003 0.000 2.238 338 E HA 0.010 4.360 4.350 -0.000 0.000 0.264 338 E C 0.728 177.328 176.600 0.001 0.000 1.136 338 E CA 0.081 56.482 56.400 0.002 0.000 0.929 338 E CB 1.124 30.826 29.700 0.004 0.000 1.010 338 E HN 0.612 nan 8.360 nan 0.000 0.440 339 E N 2.127 122.327 120.200 -0.000 0.000 2.204 339 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 339 E C 1.667 178.266 176.600 -0.002 0.000 0.990 339 E CA 1.245 57.645 56.400 -0.001 0.000 0.821 339 E CB 0.056 29.755 29.700 -0.002 0.000 0.750 339 E HN 0.546 nan 8.360 nan 0.000 0.477 340 A N 0.180 123.000 122.820 -0.001 0.000 2.168 340 A HA 0.183 4.503 4.320 -0.000 0.000 0.215 340 A C 1.984 179.567 177.584 -0.001 0.000 1.152 340 A CA 1.254 53.290 52.037 -0.001 0.000 0.716 340 A CB -0.061 18.939 19.000 -0.000 0.000 0.794 340 A HN 0.232 nan 8.150 nan 0.000 0.465 341 A N -1.446 121.374 122.820 -0.001 0.000 2.469 341 A HA 0.525 4.845 4.320 -0.000 0.000 0.245 341 A C 1.486 179.068 177.584 -0.003 0.000 1.221 341 A CA 0.042 52.078 52.037 -0.002 0.000 0.946 341 A CB -0.021 18.979 19.000 -0.000 0.000 1.049 341 A HN 0.361 nan 8.150 nan 0.000 0.529 342 I N -1.407 119.161 120.570 -0.003 0.000 2.810 342 I HA -0.069 4.101 4.170 -0.000 0.000 0.262 342 I C 2.382 178.496 176.117 -0.005 0.000 1.131 342 I CA 0.612 61.910 61.300 -0.004 0.000 1.453 342 I CB 0.140 38.139 38.000 -0.003 0.000 1.161 342 I HN 0.195 nan 8.210 nan 0.000 0.444 343 Q N 0.777 120.574 119.800 -0.005 0.000 2.079 343 Q HA -0.077 4.262 4.340 -0.000 0.000 0.200 343 Q C 2.086 178.082 176.000 -0.006 0.000 0.974 343 Q CA 1.642 57.441 55.803 -0.006 0.000 0.840 343 Q CB -0.508 28.227 28.738 -0.005 0.000 0.898 343 Q HN 0.505 nan 8.270 nan 0.000 0.430 344 G N -0.541 108.256 108.800 -0.006 0.000 2.776 344 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.209 344 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.209 344 G C 1.378 176.274 174.900 -0.007 0.000 1.145 344 G CA 0.346 45.443 45.100 -0.006 0.000 0.791 344 G HN 0.099 nan 8.290 nan 0.000 0.530 345 R N -0.595 119.900 120.500 -0.008 0.000 2.195 345 R HA 0.187 4.527 4.340 -0.000 0.000 0.197 345 R C 2.253 178.546 176.300 -0.012 0.000 0.990 345 R CA 0.452 56.545 56.100 -0.010 0.000 1.048 345 R CB -0.210 30.084 30.300 -0.011 0.000 0.997 345 R HN 0.096 nan 8.270 nan 0.000 0.502 346 V N 1.146 121.053 119.914 -0.011 0.000 2.626 346 V HA -0.078 4.042 4.120 -0.000 0.000 0.252 346 V C 2.119 178.205 176.094 -0.012 0.000 1.067 346 V CA 1.664 63.956 62.300 -0.012 0.000 1.081 346 V CB -0.618 31.199 31.823 -0.011 0.000 0.686 346 V HN 0.443 nan 8.190 nan 0.000 0.468 347 A N -0.850 121.964 122.820 -0.010 0.000 2.168 347 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 347 A C 2.137 179.714 177.584 -0.011 0.000 1.152 347 A CA 1.222 53.253 52.037 -0.010 0.000 0.716 347 A CB -0.268 18.727 19.000 -0.008 0.000 0.794 347 A HN 0.627 nan 8.150 nan 0.000 0.465 348 Q N -1.176 118.617 119.800 -0.012 0.000 2.396 348 Q HA 0.252 4.592 4.340 -0.000 0.000 0.209 348 Q C 1.511 177.501 176.000 -0.016 0.000 0.906 348 Q CA 0.356 56.151 55.803 -0.013 0.000 0.927 348 Q CB 0.181 28.911 28.738 -0.013 0.000 1.069 348 Q HN 0.741 nan 8.270 nan 0.000 0.523 349 I N -0.323 120.236 120.570 -0.018 0.000 2.429 349 I HA -0.091 4.079 4.170 -0.000 0.000 0.247 349 I C 2.258 178.362 176.117 -0.021 0.000 1.099 349 I CA 0.578 61.865 61.300 -0.022 0.000 1.422 349 I CB -0.012 37.974 38.000 -0.024 0.000 1.112 349 I HN -0.017 nan 8.210 nan 0.000 0.430 350 R N 0.715 121.204 120.500 -0.018 0.000 2.280 350 R HA -0.121 4.219 4.340 -0.000 0.000 0.207 350 R C 2.184 178.475 176.300 -0.015 0.000 1.043 350 R CA 0.823 56.913 56.100 -0.017 0.000 1.006 350 R CB 0.026 30.318 30.300 -0.014 0.000 0.885 350 R HN 0.395 nan 8.270 nan 0.000 0.467 351 Q N -0.419 119.373 119.800 -0.014 0.000 2.354 351 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 351 Q C 1.418 177.410 176.000 -0.012 0.000 0.933 351 Q CA 0.713 56.509 55.803 -0.011 0.000 0.901 351 Q CB 0.421 29.153 28.738 -0.010 0.000 1.007 351 Q HN 0.444 nan 8.270 nan 0.000 0.495 352 Q N -0.208 119.583 119.800 -0.015 0.000 2.245 352 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 352 Q C 1.841 177.831 176.000 -0.017 0.000 0.955 352 Q CA 0.705 56.498 55.803 -0.016 0.000 0.870 352 Q CB 0.262 28.988 28.738 -0.019 0.000 0.945 352 Q HN 0.421 nan 8.270 nan 0.000 0.461 353 I N 0.608 121.166 120.570 -0.020 0.000 2.233 353 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 353 I C 2.169 178.278 176.117 -0.015 0.000 1.093 353 I CA 0.836 62.123 61.300 -0.022 0.000 1.380 353 I CB -0.274 37.711 38.000 -0.025 0.000 1.067 353 I HN 0.113 nan 8.210 nan 0.000 0.413 354 E N 1.468 121.660 120.200 -0.012 0.000 2.049 354 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 354 E C 0.704 177.301 176.600 -0.006 0.000 1.007 354 E CA 1.328 57.723 56.400 -0.009 0.000 0.809 354 E CB -0.322 29.373 29.700 -0.008 0.000 0.749 354 E HN 0.589 nan 8.360 nan 0.000 0.450 355 E N 0.430 120.626 120.200 -0.006 0.000 1.964 355 E HA 0.342 4.692 4.350 -0.000 0.000 0.264 355 E C -0.904 175.695 176.600 -0.002 0.000 1.120 355 E CA -0.360 56.038 56.400 -0.003 0.000 1.061 355 E CB 0.765 30.463 29.700 -0.003 0.000 1.190 355 E HN 0.080 nan 8.360 nan 0.000 0.459 356 A N 1.748 124.567 122.820 -0.001 0.000 2.316 356 A HA 0.227 4.547 4.320 -0.000 0.000 0.324 356 A C 1.028 178.618 177.584 0.009 0.000 1.375 356 A CA -0.736 51.303 52.037 0.003 0.000 0.882 356 A CB 0.245 19.244 19.000 -0.002 0.000 1.152 356 A HN 0.442 nan 8.150 nan 0.000 0.512 357 T N -0.976 113.586 114.554 0.013 0.000 3.129 357 T HA 0.187 4.537 4.350 -0.000 0.000 0.251 357 T C 0.807 175.522 174.700 0.025 0.000 1.117 357 T CA 0.744 62.854 62.100 0.016 0.000 1.034 357 T CB -0.066 68.811 68.868 0.014 0.000 0.968 357 T HN 0.530 nan 8.240 nan 0.000 0.526 358 S N -0.183 115.538 115.700 0.035 0.000 2.536 358 S HA 0.401 4.871 4.470 -0.000 0.000 0.298 358 S C 0.107 174.744 174.600 0.062 0.000 1.083 358 S CA -0.641 57.593 58.200 0.057 0.000 0.995 358 S CB 1.887 65.137 63.200 0.083 0.000 1.058 358 S HN 0.174 nan 8.310 nan 0.000 0.488 359 D N 0.983 121.429 120.400 0.077 0.000 2.234 359 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 359 D C 1.290 177.651 176.300 0.102 0.000 0.962 359 D CA 0.910 54.953 54.000 0.073 0.000 0.855 359 D CB 0.005 40.846 40.800 0.068 0.000 0.951 359 D HN 0.664 nan 8.370 nan 0.000 0.500 360 Y N 0.639 120.943 120.300 0.007 0.000 2.337 360 Y HA -0.036 4.514 4.550 -0.000 0.000 0.293 360 Y C 1.644 177.546 175.900 0.003 0.000 1.123 360 Y CA 1.125 59.230 58.100 0.010 0.000 1.201 360 Y CB 0.077 38.547 38.460 0.017 0.000 1.011 360 Y HN -0.101 nan 8.280 nan 0.000 0.545 361 D N 0.204 120.613 120.400 0.014 0.000 2.117 361 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 361 D C 2.111 178.341 176.300 -0.116 0.000 0.987 361 D CA 1.223 55.179 54.000 -0.072 0.000 0.829 361 D CB -0.161 40.646 40.800 0.013 0.000 0.961 361 D HN 0.357 nan 8.370 nan 0.000 0.460 362 R N 0.974 121.433 120.500 -0.068 0.000 2.092 362 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 362 R C 1.849 178.097 176.300 -0.088 0.000 1.119 362 R CA 0.982 57.045 56.100 -0.061 0.000 0.970 362 R CB 0.093 30.376 30.300 -0.028 0.000 0.864 362 R HN 0.199 nan 8.270 nan 0.000 0.440 363 E N -0.422 119.709 120.200 -0.116 0.000 2.347 363 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 363 E C 1.587 178.076 176.600 -0.185 0.000 1.008 363 E CA 0.704 57.030 56.400 -0.124 0.000 0.852 363 E CB 0.256 29.898 29.700 -0.096 0.000 0.783 363 E HN 0.202 nan 8.360 nan 0.000 0.505 364 K N 0.160 120.395 120.400 -0.275 0.000 2.435 364 K HA 0.124 4.444 4.320 -0.000 0.000 0.199 364 K C 1.712 178.205 176.600 -0.179 0.000 1.153 364 K CA -0.064 56.049 56.287 -0.291 0.000 0.974 364 K CB 0.527 32.694 32.500 -0.556 0.000 0.997 364 K HN 0.045 nan 8.250 nan 0.000 0.547 365 L N 1.109 122.244 121.223 -0.146 0.000 2.395 365 L HA 0.001 4.341 4.340 -0.000 0.000 0.218 365 L C 1.808 178.636 176.870 -0.069 0.000 1.130 365 L CA 0.825 55.609 54.840 -0.093 0.000 0.826 365 L CB 0.099 42.113 42.059 -0.074 0.000 0.941 365 L HN 0.186 nan 8.230 nan 0.000 0.451 366 Q N -0.680 119.079 119.800 -0.069 0.000 2.360 366 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 366 Q C 1.262 177.235 176.000 -0.047 0.000 0.915 366 Q CA 0.174 55.947 55.803 -0.049 0.000 0.943 366 Q CB 0.456 29.169 28.738 -0.042 0.000 1.064 366 Q HN 0.425 nan 8.270 nan 0.000 0.511 367 E N 0.277 120.442 120.200 -0.060 0.000 2.474 367 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 367 E C 1.388 177.966 176.600 -0.036 0.000 1.039 367 E CA -0.048 56.324 56.400 -0.047 0.000 0.881 367 E CB 0.442 30.106 29.700 -0.060 0.000 0.970 367 E HN 0.169 nan 8.360 nan 0.000 0.486 368 R N -0.404 120.071 120.500 -0.041 0.000 2.189 368 R HA 0.000 4.340 4.340 -0.000 0.000 0.203 368 R C 2.263 178.550 176.300 -0.022 0.000 1.012 368 R CA 0.934 57.014 56.100 -0.032 0.000 1.015 368 R CB 0.332 30.607 30.300 -0.042 0.000 0.938 368 R HN 0.106 nan 8.270 nan 0.000 0.472 369 V N -2.284 117.616 119.914 -0.023 0.000 3.041 369 V HA 0.126 4.246 4.120 -0.000 0.000 0.260 369 V C 2.060 178.146 176.094 -0.012 0.000 1.105 369 V CA 1.350 63.640 62.300 -0.017 0.000 1.125 369 V CB -0.252 31.560 31.823 -0.019 0.000 0.730 369 V HN 0.149 nan 8.190 nan 0.000 0.479 370 A N 0.925 123.738 122.820 -0.013 0.000 1.872 370 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 370 A C 2.351 179.934 177.584 -0.001 0.000 1.187 370 A CA 1.843 53.875 52.037 -0.008 0.000 0.614 370 A CB -0.423 18.571 19.000 -0.010 0.000 0.826 370 A HN 0.534 nan 8.150 nan 0.000 0.442 371 K N -1.106 119.297 120.400 0.005 0.000 2.062 371 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 371 K C 1.909 178.521 176.600 0.019 0.000 1.051 371 K CA 1.213 57.512 56.287 0.020 0.000 0.941 371 K CB -0.237 32.285 32.500 0.036 0.000 0.719 371 K HN 0.359 nan 8.250 nan 0.000 0.440 372 L N 0.327 121.556 121.223 0.009 0.000 2.062 372 L HA 0.065 4.405 4.340 -0.000 0.000 0.202 372 L C 1.862 178.734 176.870 0.004 0.000 1.079 372 L CA 1.728 56.572 54.840 0.007 0.000 0.755 372 L CB -0.463 41.595 42.059 -0.001 0.000 0.913 372 L HN 0.046 nan 8.230 nan 0.000 0.445 373 A N -1.299 121.520 122.820 -0.002 0.000 2.308 373 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 373 A C 2.033 179.615 177.584 -0.004 0.000 1.216 373 A CA 0.529 52.564 52.037 -0.003 0.000 0.864 373 A CB -0.902 18.094 19.000 -0.006 0.000 0.902 373 A HN 0.486 nan 8.150 nan 0.000 0.499 374 G N -0.005 108.793 108.800 -0.003 0.000 2.408 374 G HA2 0.360 4.320 3.960 -0.000 0.000 0.217 374 G HA3 0.360 4.320 3.960 -0.000 0.000 0.217 374 G C 1.047 175.944 174.900 -0.005 0.000 1.150 374 G CA 0.755 45.852 45.100 -0.005 0.000 0.776 374 G HN 1.714 nan 8.290 nan 0.000 0.542 375 G N -2.293 106.506 108.800 -0.003 0.000 2.603 375 G HA2 0.162 4.122 3.960 -0.000 0.000 0.686 375 G HA3 0.162 4.122 3.960 -0.000 0.000 0.686 375 G C -1.074 173.822 174.900 -0.006 0.000 1.286 375 G CA -0.412 44.686 45.100 -0.004 0.000 0.871 375 G HN 0.917 nan 8.290 nan 0.000 0.568 376 V N 0.842 120.751 119.914 -0.007 0.000 2.380 376 V HA 0.675 4.794 4.120 -0.000 0.000 0.286 376 V C 0.788 176.874 176.094 -0.013 0.000 1.015 376 V CA -0.039 62.254 62.300 -0.011 0.000 0.834 376 V CB 1.175 32.992 31.823 -0.011 0.000 1.009 376 V HN 2.083 nan 8.190 nan 0.000 0.428 377 A N 5.214 128.025 122.820 -0.015 0.000 2.444 377 A HA 0.515 4.835 4.320 -0.000 0.000 0.287 377 A C -0.082 177.493 177.584 -0.015 0.000 1.195 377 A CA -0.026 52.002 52.037 -0.014 0.000 0.858 377 A CB 0.005 18.996 19.000 -0.016 0.000 1.117 377 A HN 0.695 nan 8.150 nan 0.000 0.521 378 V N 5.947 125.854 119.914 -0.013 0.000 2.304 378 V HA 0.168 4.288 4.120 -0.000 0.000 0.269 378 V C 0.199 176.287 176.094 -0.010 0.000 1.036 378 V CA -0.091 62.201 62.300 -0.012 0.000 0.840 378 V CB 0.473 32.289 31.823 -0.012 0.000 1.036 378 V HN 0.727 nan 8.190 nan 0.000 0.466 379 I N 5.605 126.169 120.570 -0.010 0.000 2.379 379 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 379 I C 0.556 176.669 176.117 -0.006 0.000 1.063 379 I CA -0.045 61.250 61.300 -0.007 0.000 1.351 379 I CB 0.523 38.519 38.000 -0.006 0.000 1.410 379 I HN 0.445 nan 8.210 nan 0.000 0.505 380 K N 6.300 126.697 120.400 -0.006 0.000 2.264 380 K HA 0.401 4.721 4.320 -0.000 0.000 0.277 380 K C -0.806 175.792 176.600 -0.004 0.000 1.067 380 K CA -0.602 55.681 56.287 -0.005 0.000 0.900 380 K CB 1.720 34.217 32.500 -0.006 0.000 1.124 380 K HN 0.341 nan 8.250 nan 0.000 0.469 381 V N 1.913 121.825 119.914 -0.003 0.000 2.488 381 V HA 0.278 4.398 4.120 -0.000 0.000 0.277 381 V C 0.892 176.984 176.094 -0.003 0.000 1.046 381 V CA -0.447 61.851 62.300 -0.002 0.000 0.986 381 V CB 1.212 33.034 31.823 -0.001 0.000 0.989 381 V HN 0.953 nan 8.190 nan 0.000 0.475 382 G N 3.539 112.337 108.800 -0.003 0.000 4.465 382 G HA2 0.593 4.553 3.960 -0.000 0.000 0.330 382 G HA3 0.593 4.553 3.960 -0.000 0.000 0.330 382 G C -0.176 174.723 174.900 -0.003 0.000 1.475 382 G CA 0.095 45.193 45.100 -0.003 0.000 0.955 382 G HN 1.019 nan 8.290 nan 0.000 0.516 383 A N 1.163 123.981 122.820 -0.002 0.000 2.273 383 A HA 0.745 5.065 4.320 -0.000 0.000 0.320 383 A C 0.642 178.225 177.584 -0.003 0.000 1.358 383 A CA -0.235 51.801 52.037 -0.002 0.000 0.910 383 A CB 0.806 19.805 19.000 -0.002 0.000 1.159 383 A HN 1.353 nan 8.150 nan 0.000 0.526 384 A N 3.710 126.529 122.820 -0.003 0.000 2.990 384 A HA 0.577 4.897 4.320 -0.000 0.000 0.282 384 A C 0.312 177.895 177.584 -0.002 0.000 1.688 384 A CA 0.372 52.407 52.037 -0.003 0.000 1.391 384 A CB -0.960 18.039 19.000 -0.003 0.000 1.112 384 A HN 1.398 nan 8.150 nan 0.000 0.588 385 T N -1.738 112.815 114.554 -0.002 0.000 4.128 385 T HA 0.181 4.531 4.350 -0.000 0.000 0.376 385 T C 0.234 174.932 174.700 -0.003 0.000 1.109 385 T CA -0.539 61.560 62.100 -0.002 0.000 1.087 385 T CB 0.866 69.732 68.868 -0.002 0.000 1.190 385 T HN 0.449 nan 8.240 nan 0.000 0.473 386 E N 1.227 121.426 120.200 -0.003 0.000 2.333 386 E HA -0.130 4.220 4.350 -0.000 0.000 0.200 386 E C 1.588 178.186 176.600 -0.003 0.000 1.010 386 E CA 1.242 57.640 56.400 -0.003 0.000 0.841 386 E CB 0.068 29.767 29.700 -0.003 0.000 0.757 386 E HN 0.614 nan 8.360 nan 0.000 0.508 387 V N 0.342 120.255 119.914 -0.003 0.000 2.535 387 V HA -0.145 3.974 4.120 -0.000 0.000 0.246 387 V C 1.708 177.800 176.094 -0.003 0.000 1.045 387 V CA 1.517 63.816 62.300 -0.003 0.000 1.058 387 V CB -0.230 31.591 31.823 -0.003 0.000 0.689 387 V HN 0.169 nan 8.190 nan 0.000 0.461 388 E N -0.687 119.512 120.200 -0.003 0.000 2.478 388 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 388 E C 1.960 178.559 176.600 -0.003 0.000 1.045 388 E CA 0.122 56.520 56.400 -0.003 0.000 0.868 388 E CB 0.116 29.815 29.700 -0.003 0.000 0.885 388 E HN 0.391 nan 8.360 nan 0.000 0.505 389 M N 0.532 120.130 119.600 -0.003 0.000 2.299 389 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 389 M C 1.318 177.617 176.300 -0.002 0.000 1.095 389 M CA 1.224 56.522 55.300 -0.002 0.000 1.165 389 M CB 0.196 32.795 32.600 -0.003 0.000 1.349 389 M HN -0.183 nan 8.290 nan 0.000 0.446 390 K N 0.448 120.846 120.400 -0.003 0.000 2.551 390 K HA -0.014 4.306 4.320 -0.000 0.000 0.192 390 K C 1.434 178.032 176.600 -0.003 0.000 1.027 390 K CA 0.358 56.643 56.287 -0.003 0.000 1.059 390 K CB 0.133 32.631 32.500 -0.003 0.000 0.831 390 K HN 0.405 nan 8.250 nan 0.000 0.508 391 E N 0.629 120.827 120.200 -0.003 0.000 2.201 391 E HA 0.021 4.371 4.350 -0.000 0.000 0.193 391 E C 1.148 177.746 176.600 -0.003 0.000 0.957 391 E CA 0.566 56.964 56.400 -0.003 0.000 0.858 391 E CB 0.479 30.177 29.700 -0.003 0.000 0.816 391 E HN 0.149 nan 8.360 nan 0.000 0.475 392 K N 0.563 120.962 120.400 -0.002 0.000 2.356 392 K HA 0.049 4.369 4.320 -0.000 0.000 0.195 392 K C 2.004 178.604 176.600 0.001 0.000 1.037 392 K CA 0.068 56.355 56.287 -0.001 0.000 1.014 392 K CB 0.299 32.798 32.500 -0.001 0.000 0.815 392 K HN -0.110 nan 8.250 nan 0.000 0.507 393 K N 1.278 121.678 120.400 0.001 0.000 2.063 393 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 393 K C 1.954 178.558 176.600 0.005 0.000 1.048 393 K CA 1.444 57.733 56.287 0.002 0.000 0.928 393 K CB -0.027 32.473 32.500 0.001 0.000 0.713 393 K HN 0.108 nan 8.250 nan 0.000 0.442 394 A N 1.142 123.964 122.820 0.003 0.000 1.897 394 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 394 A C 1.945 179.533 177.584 0.007 0.000 1.181 394 A CA 0.934 52.973 52.037 0.003 0.000 0.620 394 A CB -0.325 18.673 19.000 -0.003 0.000 0.821 394 A HN 0.271 nan 8.150 nan 0.000 0.443 395 R N -0.332 120.170 120.500 0.004 0.000 2.285 395 R HA -0.025 4.315 4.340 -0.000 0.000 0.213 395 R C 1.677 177.984 176.300 0.011 0.000 1.068 395 R CA 0.982 57.085 56.100 0.005 0.000 1.004 395 R CB -0.291 30.009 30.300 0.001 0.000 0.873 395 R HN 0.448 nan 8.270 nan 0.000 0.467 396 V N 0.477 120.399 119.914 0.013 0.000 2.379 396 V HA -0.157 3.963 4.120 -0.000 0.000 0.243 396 V C 1.926 178.039 176.094 0.031 0.000 1.035 396 V CA 1.503 63.813 62.300 0.016 0.000 1.035 396 V CB -0.293 31.537 31.823 0.011 0.000 0.673 396 V HN 0.270 nan 8.190 nan 0.000 0.457 397 E N 0.283 120.508 120.200 0.042 0.000 2.051 397 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 397 E C 1.894 178.558 176.600 0.108 0.000 0.991 397 E CA 1.605 58.057 56.400 0.086 0.000 0.799 397 E CB -0.202 29.546 29.700 0.081 0.000 0.748 397 E HN 0.539 nan 8.360 nan 0.000 0.449 398 D N -0.259 120.171 120.400 0.050 0.000 2.263 398 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 398 D C 1.459 177.788 176.300 0.047 0.000 0.971 398 D CA 1.049 55.068 54.000 0.032 0.000 0.867 398 D CB 0.027 40.830 40.800 0.004 0.000 0.929 398 D HN 0.205 nan 8.370 nan 0.000 0.492 399 A N -0.311 122.536 122.820 0.045 0.000 1.942 399 A HA 0.097 4.417 4.320 -0.000 0.000 0.209 399 A C 1.981 179.589 177.584 0.041 0.000 1.214 399 A CA 0.106 52.164 52.037 0.035 0.000 0.686 399 A CB -0.533 18.478 19.000 0.019 0.000 0.871 399 A HN 0.206 nan 8.150 nan 0.000 0.460 400 L N -0.542 120.707 121.223 0.043 0.000 1.989 400 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 400 L C 2.416 179.291 176.870 0.007 0.000 1.071 400 L CA 2.152 57.000 54.840 0.014 0.000 0.749 400 L CB -0.632 41.425 42.059 -0.003 0.000 0.890 400 L HN 0.519 nan 8.230 nan 0.000 0.431 401 H N -0.783 118.282 119.070 -0.009 0.000 2.390 401 H HA -0.156 4.400 4.556 -0.000 0.000 0.298 401 H C 2.046 177.370 175.328 -0.006 0.000 1.106 401 H CA 1.531 57.574 56.048 -0.009 0.000 1.297 401 H CB 0.027 29.783 29.762 -0.011 0.000 1.375 401 H HN 0.568 nan 8.280 nan 0.000 0.509 402 A N 0.049 122.936 122.820 0.111 0.000 1.929 402 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 402 A C 2.582 180.184 177.584 0.030 0.000 1.176 402 A CA 1.664 53.736 52.037 0.059 0.000 0.628 402 A CB -0.581 18.445 19.000 0.043 0.000 0.816 402 A HN 0.353 nan 8.150 nan 0.000 0.444 403 T N -0.507 114.058 114.554 0.018 0.000 2.821 403 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 403 T C 2.109 176.803 174.700 -0.010 0.000 1.046 403 T CA 0.975 63.076 62.100 0.002 0.000 1.139 403 T CB -0.208 68.658 68.868 -0.003 0.000 0.871 403 T HN 0.290 nan 8.240 nan 0.000 0.454 404 R N 1.268 121.751 120.500 -0.028 0.000 2.083 404 R HA 0.007 4.347 4.340 -0.000 0.000 0.237 404 R C 2.649 178.938 176.300 -0.019 0.000 1.137 404 R CA 1.640 57.712 56.100 -0.045 0.000 0.951 404 R CB -0.908 29.330 30.300 -0.104 0.000 0.851 404 R HN 0.445 nan 8.270 nan 0.000 0.434 405 A N 0.299 123.119 122.820 0.000 0.000 2.014 405 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 405 A C 2.198 179.790 177.584 0.013 0.000 1.163 405 A CA 1.322 53.367 52.037 0.014 0.000 0.652 405 A CB -0.267 18.753 19.000 0.033 0.000 0.808 405 A HN 0.358 nan 8.150 nan 0.000 0.449 406 A N -0.657 122.168 122.820 0.010 0.000 2.066 406 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 406 A C 2.018 179.604 177.584 0.005 0.000 1.157 406 A CA 1.574 53.616 52.037 0.008 0.000 0.670 406 A CB -0.380 18.625 19.000 0.008 0.000 0.804 406 A HN 0.326 nan 8.150 nan 0.000 0.453 407 V N -0.553 119.361 119.914 0.000 0.000 2.575 407 V HA -0.117 4.002 4.120 -0.000 0.000 0.242 407 V C 2.253 178.347 176.094 0.000 0.000 1.045 407 V CA 1.614 63.913 62.300 -0.002 0.000 1.065 407 V CB -0.556 31.262 31.823 -0.008 0.000 0.717 407 V HN 0.572 nan 8.190 nan 0.000 0.467 408 E N 0.162 120.362 120.200 0.001 0.000 2.047 408 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 408 E C 1.875 178.479 176.600 0.008 0.000 0.987 408 E CA 1.478 57.880 56.400 0.003 0.000 0.799 408 E CB 0.069 29.771 29.700 0.004 0.000 0.752 408 E HN 0.640 nan 8.360 nan 0.000 0.449 409 E N -1.087 119.119 120.200 0.011 0.000 2.474 409 E HA 0.208 4.558 4.350 -0.000 0.000 0.215 409 E C 0.518 177.125 176.600 0.013 0.000 0.867 409 E CA 0.280 56.687 56.400 0.013 0.000 1.135 409 E CB 1.765 31.475 29.700 0.017 0.000 1.147 409 E HN 0.199 nan 8.360 nan 0.000 0.534 410 G N 1.221 110.028 108.800 0.012 0.000 2.466 410 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.316 410 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.316 410 G C -0.803 174.105 174.900 0.014 0.000 1.270 410 G CA -0.521 44.586 45.100 0.012 0.000 0.982 410 G HN 0.397 nan 8.290 nan 0.000 0.506 411 V N -2.015 117.908 119.914 0.014 0.000 2.588 411 V HA 0.891 5.011 4.120 -0.000 0.000 0.304 411 V C 0.743 176.847 176.094 0.016 0.000 1.042 411 V CA -0.075 62.234 62.300 0.015 0.000 0.877 411 V CB 0.796 32.627 31.823 0.013 0.000 0.996 411 V HN 2.179 nan 8.190 nan 0.000 0.425 412 V N 1.517 121.442 119.914 0.018 0.000 3.302 412 V HA 0.986 5.106 4.120 -0.000 0.000 0.316 412 V C 0.814 176.919 176.094 0.020 0.000 1.111 412 V CA -0.426 61.886 62.300 0.020 0.000 1.029 412 V CB 1.331 33.167 31.823 0.022 0.000 1.170 412 V HN 1.672 nan 8.190 nan 0.000 0.452 413 A N 0.870 123.704 122.820 0.023 0.000 2.454 413 A HA 0.644 4.964 4.320 -0.000 0.000 0.260 413 A C 0.844 178.440 177.584 0.019 0.000 1.106 413 A CA 0.380 52.431 52.037 0.023 0.000 0.780 413 A CB -0.568 18.451 19.000 0.032 0.000 1.044 413 A HN 1.705 nan 8.150 nan 0.000 0.498 414 G N 0.946 109.753 108.800 0.012 0.000 2.486 414 G HA2 0.486 4.446 3.960 -0.000 0.000 0.272 414 G HA3 0.486 4.446 3.960 -0.000 0.000 0.272 414 G C 1.192 176.097 174.900 0.008 0.000 1.426 414 G CA 0.036 45.141 45.100 0.008 0.000 1.058 414 G HN 2.244 nan 8.290 nan 0.000 0.531 415 G N -2.371 106.432 108.800 0.006 0.000 2.155 415 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 415 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 415 G C 1.531 176.447 174.900 0.026 0.000 0.983 415 G CA 1.108 46.216 45.100 0.014 0.000 0.676 415 G HN 2.517 nan 8.290 nan 0.000 0.528 416 G N -2.057 106.757 108.800 0.022 0.000 2.168 416 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.257 416 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.257 416 G C 1.774 176.691 174.900 0.029 0.000 0.997 416 G CA 1.962 47.077 45.100 0.025 0.000 0.708 416 G HN 2.246 nan 8.290 nan 0.000 0.520 417 V N -2.882 117.051 119.914 0.032 0.000 2.951 417 V HA 0.458 4.578 4.120 -0.000 0.000 0.255 417 V C 2.733 178.851 176.094 0.040 0.000 1.088 417 V CA 1.642 63.965 62.300 0.040 0.000 1.109 417 V CB -0.559 31.289 31.823 0.043 0.000 0.724 417 V HN 1.289 nan 8.190 nan 0.000 0.471 418 A N 1.294 124.134 122.820 0.033 0.000 1.883 418 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 418 A C 2.200 179.802 177.584 0.030 0.000 1.186 418 A CA 2.401 54.457 52.037 0.031 0.000 0.624 418 A CB -0.724 18.292 19.000 0.027 0.000 0.822 418 A HN 0.590 nan 8.150 nan 0.000 0.444 419 L N -1.063 120.177 121.223 0.028 0.000 2.056 419 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 419 L C 2.450 179.336 176.870 0.027 0.000 1.078 419 L CA 1.157 56.013 54.840 0.026 0.000 0.749 419 L CB -0.331 41.742 42.059 0.024 0.000 0.901 419 L HN 0.434 nan 8.230 nan 0.000 0.433 420 I N -0.512 120.076 120.570 0.031 0.000 2.614 420 I HA -0.239 3.931 4.170 -0.000 0.000 0.258 420 I C 2.652 178.791 176.117 0.038 0.000 1.189 420 I CA 0.684 62.004 61.300 0.033 0.000 1.462 420 I CB 0.068 38.090 38.000 0.037 0.000 1.092 420 I HN 0.177 nan 8.210 nan 0.000 0.442 421 R N 0.031 120.555 120.500 0.040 0.000 2.093 421 R HA -0.028 4.312 4.340 -0.000 0.000 0.224 421 R C 1.977 178.296 176.300 0.032 0.000 1.101 421 R CA 1.348 57.473 56.100 0.042 0.000 0.979 421 R CB -0.671 29.657 30.300 0.047 0.000 0.877 421 R HN 0.189 nan 8.270 nan 0.000 0.441 422 V N 0.840 120.771 119.914 0.028 0.000 2.407 422 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 422 V C 2.269 178.375 176.094 0.020 0.000 1.055 422 V CA 1.809 64.123 62.300 0.022 0.000 1.049 422 V CB -0.802 31.033 31.823 0.020 0.000 0.662 422 V HN 0.475 nan 8.190 nan 0.000 0.455 423 A N 0.820 123.653 122.820 0.021 0.000 1.883 423 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 423 A C 2.533 180.128 177.584 0.018 0.000 1.186 423 A CA 2.510 54.558 52.037 0.019 0.000 0.624 423 A CB -0.809 18.203 19.000 0.020 0.000 0.822 423 A HN 0.703 nan 8.150 nan 0.000 0.444 424 S N -0.688 115.025 115.700 0.021 0.000 2.453 424 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 424 S C 1.585 176.194 174.600 0.016 0.000 1.005 424 S CA 1.288 59.499 58.200 0.019 0.000 0.949 424 S CB -0.219 62.996 63.200 0.024 0.000 0.774 424 S HN 0.589 nan 8.310 nan 0.000 0.510 425 K N 0.381 120.791 120.400 0.017 0.000 2.426 425 K HA 0.345 4.665 4.320 -0.000 0.000 0.193 425 K C 0.644 177.251 176.600 0.011 0.000 1.028 425 K CA 0.222 56.517 56.287 0.014 0.000 1.047 425 K CB 0.025 32.535 32.500 0.016 0.000 0.821 425 K HN 0.383 nan 8.250 nan 0.000 0.513 426 L N -0.256 120.974 121.223 0.011 0.000 3.014 426 L HA 0.254 4.594 4.340 -0.000 0.000 0.263 426 L C 1.433 178.308 176.870 0.008 0.000 1.207 426 L CA -0.193 54.653 54.840 0.009 0.000 1.017 426 L CB 0.577 42.641 42.059 0.009 0.000 1.360 426 L HN 0.034 nan 8.230 nan 0.000 0.560 427 A N -0.449 122.376 122.820 0.009 0.000 2.067 427 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 427 A C 1.545 179.132 177.584 0.006 0.000 1.158 427 A CA 1.337 53.379 52.037 0.008 0.000 0.661 427 A CB -0.134 18.871 19.000 0.008 0.000 0.801 427 A HN 0.291 nan 8.150 nan 0.000 0.452 428 D N -1.007 119.397 120.400 0.006 0.000 2.340 428 D HA 0.122 4.762 4.640 -0.000 0.000 0.220 428 D C 0.205 176.508 176.300 0.004 0.000 1.039 428 D CA -0.041 53.962 54.000 0.004 0.000 0.866 428 D CB -0.064 40.738 40.800 0.004 0.000 0.913 428 D HN 0.340 nan 8.370 nan 0.000 0.523 429 L N 1.664 122.890 121.223 0.004 0.000 2.410 429 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 429 L C 0.107 176.979 176.870 0.003 0.000 1.152 429 L CA 0.415 55.257 54.840 0.004 0.000 0.855 429 L CB 0.246 42.307 42.059 0.004 0.000 1.129 429 L HN -0.241 nan 8.230 nan 0.000 0.463 430 R N 3.002 123.504 120.500 0.003 0.000 2.867 430 R HA 0.638 4.978 4.340 -0.000 0.000 0.268 430 R C -0.067 176.234 176.300 0.002 0.000 1.014 430 R CA -0.282 55.819 56.100 0.002 0.000 0.946 430 R CB 1.488 31.790 30.300 0.002 0.000 1.208 430 R HN 0.809 nan 8.270 nan 0.000 0.477 431 G N -0.122 108.679 108.800 0.002 0.000 3.075 431 G HA2 0.143 4.103 3.960 -0.000 0.000 0.156 431 G HA3 0.143 4.103 3.960 -0.000 0.000 0.156 431 G C 0.202 175.103 174.900 0.001 0.000 1.403 431 G CA 0.043 45.144 45.100 0.001 0.000 1.033 431 G HN 0.440 nan 8.290 nan 0.000 0.589 432 Q N -0.675 119.126 119.800 0.001 0.000 2.442 432 Q HA 0.163 4.503 4.340 -0.000 0.000 0.228 432 Q C 0.023 176.023 176.000 0.001 0.000 0.902 432 Q CA 0.297 56.100 55.803 0.001 0.000 0.933 432 Q CB 0.441 29.180 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.264 117.436 118.700 0.001 0.000 2.629 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 433 N C 0.128 175.639 175.510 0.002 0.000 1.344 433 N CA -0.481 52.570 53.050 0.002 0.000 0.789 433 N CB 0.538 39.026 38.487 0.002 0.000 1.508 433 N HN -0.259 nan 8.380 nan 0.000 0.516 434 E N -0.329 119.872 120.200 0.002 0.000 2.118 434 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 434 E C 0.417 177.019 176.600 0.003 0.000 0.992 434 E CA 1.713 58.114 56.400 0.002 0.000 0.804 434 E CB -0.321 29.380 29.700 0.002 0.000 0.741 434 E HN 0.594 nan 8.360 nan 0.000 0.458 435 D N -0.071 120.331 120.400 0.003 0.000 2.144 435 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 435 D C 1.859 178.161 176.300 0.004 0.000 0.984 435 D CA 0.897 54.899 54.000 0.003 0.000 0.834 435 D CB -0.196 40.606 40.800 0.004 0.000 0.955 435 D HN 0.392 nan 8.370 nan 0.000 0.465 436 Q N 0.069 119.871 119.800 0.003 0.000 2.123 436 Q HA -0.062 4.278 4.340 -0.000 0.000 0.199 436 Q C 1.776 177.778 176.000 0.003 0.000 0.966 436 Q CA 0.540 56.345 55.803 0.003 0.000 0.845 436 Q CB 0.044 28.784 28.738 0.002 0.000 0.907 436 Q HN 0.234 nan 8.270 nan 0.000 0.439 437 N N 0.130 118.832 118.700 0.003 0.000 2.166 437 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 437 N C 1.816 177.329 175.510 0.004 0.000 1.019 437 N CA 1.034 54.086 53.050 0.003 0.000 0.856 437 N CB -0.137 38.352 38.487 0.003 0.000 0.993 437 N HN 0.061 nan 8.380 nan 0.000 0.426 438 V N 0.597 120.513 119.914 0.004 0.000 2.453 438 V HA -0.072 4.048 4.120 -0.000 0.000 0.247 438 V C 2.449 178.546 176.094 0.005 0.000 1.048 438 V CA 1.743 64.045 62.300 0.004 0.000 1.049 438 V CB -1.160 30.666 31.823 0.004 0.000 0.672 438 V HN 0.298 nan 8.190 nan 0.000 0.457 439 G N 0.336 109.138 108.800 0.005 0.000 2.469 439 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 439 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 439 G C 1.548 176.452 174.900 0.005 0.000 1.136 439 G CA 1.208 46.312 45.100 0.005 0.000 0.759 439 G HN 0.514 nan 8.290 nan 0.000 0.562 440 I N 0.157 120.730 120.570 0.005 0.000 2.233 440 I HA -0.081 4.089 4.170 -0.000 0.000 0.243 440 I C 2.597 178.718 176.117 0.006 0.000 1.093 440 I CA 0.920 62.222 61.300 0.005 0.000 1.380 440 I CB -0.088 37.914 38.000 0.004 0.000 1.067 440 I HN -0.057 nan 8.210 nan 0.000 0.413 441 K N 0.606 121.009 120.400 0.006 0.000 2.209 441 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 441 K C 2.134 178.739 176.600 0.007 0.000 1.048 441 K CA 0.920 57.211 56.287 0.006 0.000 0.940 441 K CB -0.487 32.016 32.500 0.006 0.000 0.729 441 K HN 0.221 nan 8.250 nan 0.000 0.451 442 V N 1.450 121.368 119.914 0.007 0.000 2.307 442 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 442 V C 2.432 178.531 176.094 0.009 0.000 1.045 442 V CA 1.981 64.286 62.300 0.008 0.000 1.024 442 V CB -0.668 31.160 31.823 0.008 0.000 0.651 442 V HN 0.281 nan 8.190 nan 0.000 0.449 443 A N -0.490 122.335 122.820 0.009 0.000 1.930 443 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 443 A C 2.168 179.758 177.584 0.011 0.000 1.175 443 A CA 1.513 53.556 52.037 0.010 0.000 0.627 443 A CB -0.442 18.563 19.000 0.008 0.000 0.815 443 A HN 0.515 nan 8.150 nan 0.000 0.443 444 L N -1.380 119.849 121.223 0.010 0.000 2.156 444 L HA -0.063 4.276 4.340 -0.000 0.000 0.208 444 L C 2.662 179.539 176.870 0.012 0.000 1.095 444 L CA 0.937 55.783 54.840 0.011 0.000 0.770 444 L CB -0.359 41.707 42.059 0.010 0.000 0.914 444 L HN 0.297 nan 8.230 nan 0.000 0.439 445 R N -0.197 120.310 120.500 0.011 0.000 2.276 445 R HA 0.038 4.378 4.340 -0.000 0.000 0.203 445 R C 2.182 178.489 176.300 0.011 0.000 1.017 445 R CA 0.769 56.875 56.100 0.010 0.000 1.010 445 R CB -0.076 30.229 30.300 0.008 0.000 0.900 445 R HN 0.296 nan 8.270 nan 0.000 0.469 446 A N 0.429 123.256 122.820 0.012 0.000 2.021 446 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 446 A C 1.921 179.514 177.584 0.015 0.000 1.163 446 A CA 0.622 52.667 52.037 0.013 0.000 0.676 446 A CB -0.101 18.907 19.000 0.014 0.000 0.818 446 A HN 0.149 nan 8.150 nan 0.000 0.453 447 M N -0.502 119.107 119.600 0.015 0.000 2.394 447 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 447 M C 1.589 177.900 176.300 0.018 0.000 1.073 447 M CA 0.955 56.266 55.300 0.018 0.000 1.111 447 M CB -0.150 32.461 32.600 0.018 0.000 1.401 447 M HN 0.430 nan 8.290 nan 0.000 0.448 448 E N 0.402 120.611 120.200 0.016 0.000 2.216 448 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 448 E C 2.137 178.744 176.600 0.011 0.000 0.988 448 E CA 0.827 57.236 56.400 0.015 0.000 0.834 448 E CB -0.042 29.665 29.700 0.012 0.000 0.772 448 E HN 0.514 nan 8.360 nan 0.000 0.479 449 A N 2.181 125.007 122.820 0.011 0.000 1.902 449 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 449 A C -0.327 177.262 177.584 0.008 0.000 1.181 449 A CA 1.111 53.153 52.037 0.008 0.000 0.623 449 A CB -1.359 17.647 19.000 0.009 0.000 0.818 449 A HN 0.128 nan 8.150 nan 0.000 0.443 450 P HA -0.180 nan 4.420 nan 0.000 0.215 450 P C 1.803 179.111 177.300 0.012 0.000 1.157 450 P CA 1.028 64.136 63.100 0.013 0.000 0.874 450 P CB -0.128 31.582 31.700 0.017 0.000 0.790 451 L N -0.677 120.555 121.223 0.014 0.000 1.989 451 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 451 L C 2.515 179.384 176.870 -0.001 0.000 1.071 451 L CA 1.803 56.651 54.840 0.014 0.000 0.749 451 L CB -0.379 41.691 42.059 0.019 0.000 0.890 451 L HN -0.203 nan 8.230 nan 0.000 0.431 452 R N -0.847 119.649 120.500 -0.007 0.000 2.117 452 R HA -0.252 4.088 4.340 -0.000 0.000 0.243 452 R C 2.304 178.593 176.300 -0.017 0.000 1.143 452 R CA 1.777 57.866 56.100 -0.019 0.000 0.968 452 R CB -0.306 29.987 30.300 -0.012 0.000 0.863 452 R HN 0.415 nan 8.270 nan 0.000 0.444 453 Q N 0.737 120.533 119.800 -0.006 0.000 2.123 453 Q HA -0.018 4.322 4.340 -0.000 0.000 0.199 453 Q C 1.792 177.792 176.000 -0.000 0.000 0.966 453 Q CA 1.298 57.100 55.803 -0.003 0.000 0.845 453 Q CB 0.050 28.789 28.738 0.002 0.000 0.907 453 Q HN 0.343 nan 8.270 nan 0.000 0.439 454 I N -0.836 119.737 120.570 0.006 0.000 2.252 454 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 454 I C 1.908 178.038 176.117 0.022 0.000 1.102 454 I CA 0.730 62.041 61.300 0.020 0.000 1.385 454 I CB -0.258 37.763 38.000 0.036 0.000 1.064 454 I HN 0.010 nan 8.210 nan 0.000 0.414 455 V N 0.685 120.593 119.914 -0.010 0.000 2.515 455 V HA -0.243 3.876 4.120 -0.000 0.000 0.250 455 V C 2.381 178.449 176.094 -0.043 0.000 1.058 455 V CA 1.396 63.658 62.300 -0.064 0.000 1.064 455 V CB -0.494 31.225 31.823 -0.174 0.000 0.675 455 V HN 0.346 nan 8.190 nan 0.000 0.461 456 L N 0.919 122.125 121.223 -0.028 0.000 2.083 456 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 456 L C 2.131 178.996 176.870 -0.007 0.000 1.083 456 L CA 1.884 56.713 54.840 -0.019 0.000 0.752 456 L CB -0.767 41.283 42.059 -0.014 0.000 0.899 456 L HN 0.326 nan 8.230 nan 0.000 0.433 457 N N -1.561 117.140 118.700 0.000 0.000 2.309 457 N HA -0.171 4.569 4.740 -0.000 0.000 0.182 457 N C 1.825 177.342 175.510 0.012 0.000 1.018 457 N CA 1.338 54.391 53.050 0.006 0.000 0.876 457 N CB -0.949 37.543 38.487 0.007 0.000 0.972 457 N HN 0.453 nan 8.380 nan 0.000 0.434 458 C N -0.106 119.207 119.300 0.022 0.000 2.522 458 C HA 0.301 4.761 4.460 -0.000 0.000 0.271 458 C C 1.812 176.818 174.990 0.026 0.000 1.425 458 C CA 0.815 59.858 59.018 0.040 0.000 1.751 458 C CB -1.569 26.232 27.740 0.102 0.000 1.775 458 C HN 0.635 nan 8.230 nan 0.000 0.557 459 G N 0.387 109.191 108.800 0.007 0.000 2.284 459 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.247 459 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.247 459 G C 0.020 174.915 174.900 -0.008 0.000 1.012 459 G CA 0.385 45.486 45.100 0.002 0.000 0.618 459 G HN 0.573 nan 8.290 nan 0.000 0.521 460 E N 1.336 121.524 120.200 -0.020 0.000 2.374 460 E HA 0.338 4.688 4.350 -0.000 0.000 0.260 460 E C 0.365 176.925 176.600 -0.066 0.000 1.101 460 E CA -0.267 56.104 56.400 -0.049 0.000 0.907 460 E CB 0.485 30.126 29.700 -0.098 0.000 1.014 460 E HN 0.593 nan 8.360 nan 0.000 0.427 461 E N 3.064 123.230 120.200 -0.057 0.000 2.265 461 E HA 0.007 4.357 4.350 -0.000 0.000 0.272 461 E C -1.398 175.158 176.600 -0.073 0.000 1.067 461 E CA -1.376 54.995 56.400 -0.049 0.000 0.900 461 E CB 0.688 30.371 29.700 -0.028 0.000 1.017 461 E HN 0.227 nan 8.360 nan 0.000 0.431 462 P HA -0.203 nan 4.420 nan 0.000 0.217 462 P C 1.118 178.386 177.300 -0.053 0.000 1.150 462 P CA 1.191 64.247 63.100 -0.072 0.000 0.832 462 P CB 0.236 31.908 31.700 -0.046 0.000 0.787 463 S N 0.021 115.701 115.700 -0.033 0.000 2.370 463 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 463 S C 2.159 176.750 174.600 -0.015 0.000 1.033 463 S CA 1.527 59.715 58.200 -0.019 0.000 1.011 463 S CB -1.879 61.313 63.200 -0.012 0.000 0.852 463 S HN -0.010 nan 8.310 nan 0.000 0.457 464 V N 1.682 121.584 119.914 -0.020 0.000 2.307 464 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 464 V C 2.607 178.703 176.094 0.004 0.000 1.045 464 V CA 1.489 63.785 62.300 -0.007 0.000 1.024 464 V CB -0.846 30.975 31.823 -0.003 0.000 0.651 464 V HN 0.422 nan 8.190 nan 0.000 0.449 465 V N 0.377 120.269 119.914 -0.036 0.000 2.307 465 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 465 V C 2.740 178.848 176.094 0.024 0.000 1.045 465 V CA 1.943 64.225 62.300 -0.031 0.000 1.024 465 V CB -1.105 30.522 31.823 -0.326 0.000 0.651 465 V HN 0.540 nan 8.190 nan 0.000 0.449 466 A N 0.229 123.044 122.820 -0.009 0.000 1.933 466 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 466 A C 2.034 179.639 177.584 0.035 0.000 1.175 466 A CA 2.345 54.392 52.037 0.017 0.000 0.628 466 A CB -0.851 18.150 19.000 0.002 0.000 0.814 466 A HN 0.607 nan 8.150 nan 0.000 0.444 467 N N -0.777 117.938 118.700 0.025 0.000 2.244 467 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 467 N C 1.578 177.109 175.510 0.034 0.000 1.016 467 N CA 1.932 54.996 53.050 0.024 0.000 0.866 467 N CB -0.178 38.316 38.487 0.012 0.000 0.980 467 N HN 0.437 nan 8.380 nan 0.000 0.430 468 T N -1.091 113.489 114.554 0.043 0.000 2.896 468 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 468 T C 1.931 176.710 174.700 0.131 0.000 1.050 468 T CA 0.735 62.853 62.100 0.031 0.000 1.140 468 T CB -0.220 68.601 68.868 -0.078 0.000 0.877 468 T HN -0.021 nan 8.240 nan 0.000 0.457 469 V N 1.588 121.597 119.914 0.159 0.000 2.427 469 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 469 V C 2.450 178.653 176.094 0.181 0.000 1.051 469 V CA 1.437 63.859 62.300 0.204 0.000 1.048 469 V CB -0.467 31.437 31.823 0.136 0.000 0.666 469 V HN 0.440 nan 8.190 nan 0.000 0.456 470 K N 0.180 120.645 120.400 0.108 0.000 2.148 470 K HA -0.061 4.258 4.320 -0.000 0.000 0.204 470 K C 2.242 178.878 176.600 0.061 0.000 1.050 470 K CA 1.236 57.569 56.287 0.075 0.000 0.942 470 K CB -0.486 32.043 32.500 0.047 0.000 0.724 470 K HN 0.557 nan 8.250 nan 0.000 0.446 471 G N 1.258 110.090 108.800 0.054 0.000 2.404 471 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.215 471 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.215 471 G C 0.765 175.658 174.900 -0.011 0.000 1.174 471 G CA 0.677 45.785 45.100 0.014 0.000 0.780 471 G HN 0.372 nan 8.290 nan 0.000 0.537 472 G N -0.611 108.190 108.800 0.001 0.000 2.572 472 G HA2 0.466 4.426 3.960 -0.000 0.000 0.261 472 G HA3 0.466 4.426 3.960 -0.000 0.000 0.261 472 G C -1.071 173.842 174.900 0.022 0.000 1.197 472 G CA -0.356 44.678 45.100 -0.110 0.000 0.870 472 G HN 0.142 nan 8.290 nan 0.000 0.548 473 D N -0.952 119.437 120.400 -0.020 0.000 2.419 473 D HA 0.614 5.254 4.640 -0.000 0.000 0.234 473 D C 0.818 177.160 176.300 0.070 0.000 1.014 473 D CA 0.952 54.972 54.000 0.034 0.000 0.919 473 D CB 1.914 42.715 40.800 0.003 0.000 1.366 473 D HN 0.878 nan 8.370 nan 0.000 0.490 474 G N 1.431 110.277 108.800 0.076 0.000 2.496 474 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.243 474 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.243 474 G C 0.063 175.027 174.900 0.107 0.000 1.176 474 G CA -0.380 44.767 45.100 0.078 0.000 0.940 474 G HN 0.589 nan 8.290 nan 0.000 0.573 475 N N 0.516 119.281 118.700 0.109 0.000 2.346 475 N HA 0.183 4.923 4.740 -0.000 0.000 0.225 475 N C -0.307 175.291 175.510 0.147 0.000 1.144 475 N CA -0.037 53.074 53.050 0.103 0.000 0.837 475 N CB 0.345 38.874 38.487 0.070 0.000 1.069 475 N HN 0.443 nan 8.380 nan 0.000 0.487 476 Y N 1.136 121.468 120.300 0.052 0.000 2.365 476 Y HA 0.430 4.980 4.550 -0.000 0.000 0.340 476 Y C 0.444 176.410 175.900 0.111 0.000 1.016 476 Y CA -0.225 57.920 58.100 0.075 0.000 1.196 476 Y CB 0.477 38.973 38.460 0.060 0.000 1.167 476 Y HN -0.007 nan 8.280 nan 0.000 0.509 477 G N 4.177 112.790 108.800 -0.313 0.000 2.870 477 G HA2 0.258 4.218 3.960 -0.000 0.000 0.299 477 G HA3 0.258 4.218 3.960 -0.000 0.000 0.299 477 G C -2.425 172.383 174.900 -0.153 0.000 1.324 477 G CA -0.895 44.091 45.100 -0.190 0.000 0.808 477 G HN 0.522 nan 8.290 nan 0.000 0.535 478 Y N 1.258 121.439 120.300 -0.198 0.000 2.335 478 Y HA 0.579 5.129 4.550 0.000 0.000 0.338 478 Y C -0.246 175.511 175.900 -0.238 0.000 0.977 478 Y CA -1.226 56.678 58.100 -0.327 0.000 1.114 478 Y CB 1.648 39.900 38.460 -0.346 0.000 1.182 478 Y HN 0.414 nan 8.280 nan 0.000 0.463 479 N N 4.611 122.831 118.700 -0.801 0.000 2.437 479 N HA 0.225 4.965 4.740 -0.000 0.000 0.243 479 N C 0.299 175.284 175.510 -0.875 0.000 1.041 479 N CA 0.516 53.202 53.050 -0.608 0.000 0.940 479 N CB 1.546 39.789 38.487 -0.406 0.000 1.133 479 N HN 0.919 nan 8.380 nan 0.000 0.506 480 A N 3.721 126.273 122.820 -0.447 0.000 2.014 480 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 480 A C 1.994 179.484 177.584 -0.157 0.000 1.163 480 A CA 1.445 53.367 52.037 -0.190 0.000 0.652 480 A CB -0.415 18.614 19.000 0.049 0.000 0.808 480 A HN 0.699 nan 8.150 nan 0.000 0.449 481 A N -0.219 122.504 122.820 -0.162 0.000 1.898 481 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 481 A C 2.289 179.799 177.584 -0.123 0.000 1.181 481 A CA 2.301 54.272 52.037 -0.110 0.000 0.620 481 A CB -0.932 18.014 19.000 -0.091 0.000 0.819 481 A HN 0.733 nan 8.150 nan 0.000 0.442 482 T N -3.873 110.571 114.554 -0.183 0.000 3.040 482 T HA 0.272 4.622 4.350 -0.000 0.000 0.250 482 T C 0.296 174.884 174.700 -0.187 0.000 1.058 482 T CA 0.658 62.664 62.100 -0.157 0.000 0.988 482 T CB -0.176 68.606 68.868 -0.142 0.000 0.993 482 T HN 0.572 nan 8.240 nan 0.000 0.519 483 E N 1.028 121.046 120.200 -0.303 0.000 2.637 483 E HA -0.142 4.208 4.350 -0.000 0.000 0.265 483 E C -0.736 175.668 176.600 -0.326 0.000 1.073 483 E CA 0.541 56.764 56.400 -0.295 0.000 0.778 483 E CB -1.000 28.675 29.700 -0.042 0.000 1.362 483 E HN 0.641 nan 8.360 nan 0.000 0.413 484 E N -0.214 119.704 120.200 -0.469 0.000 2.212 484 E HA 0.358 4.708 4.350 -0.000 0.000 0.268 484 E C -0.467 175.892 176.600 -0.402 0.000 0.902 484 E CA -0.623 55.610 56.400 -0.278 0.000 0.779 484 E CB 1.066 30.682 29.700 -0.139 0.000 1.172 484 E HN 0.053 nan 8.360 nan 0.000 0.409 485 Y N 0.175 120.428 120.300 -0.077 0.000 2.326 485 Y HA 0.567 5.117 4.550 -0.000 0.000 0.324 485 Y C 1.239 177.097 175.900 -0.069 0.000 1.291 485 Y CA 0.596 58.633 58.100 -0.104 0.000 1.348 485 Y CB 1.575 40.033 38.460 -0.003 0.000 1.294 485 Y HN 0.699 nan 8.280 nan 0.000 0.525 486 G N 0.576 109.405 108.800 0.048 0.000 2.356 486 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.288 486 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.288 486 G C -1.820 173.140 174.900 0.100 0.000 1.302 486 G CA -1.246 43.941 45.100 0.144 0.000 0.887 486 G HN 0.543 nan 8.290 nan 0.000 0.521 487 N N 0.894 119.672 118.700 0.130 0.000 2.452 487 N HA 0.100 4.840 4.740 -0.000 0.000 0.266 487 N C 1.720 177.253 175.510 0.038 0.000 1.209 487 N CA -0.320 52.789 53.050 0.099 0.000 0.929 487 N CB 0.739 39.279 38.487 0.088 0.000 1.063 487 N HN 0.395 nan 8.380 nan 0.000 0.472 488 M N 3.660 123.275 119.600 0.026 0.000 2.132 488 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 488 M C 1.738 178.040 176.300 0.004 0.000 1.065 488 M CA 0.933 56.233 55.300 -0.001 0.000 1.122 488 M CB -0.646 31.954 32.600 -0.001 0.000 1.365 488 M HN 0.527 nan 8.290 nan 0.000 0.411 489 I N 0.804 121.384 120.570 0.017 0.000 2.208 489 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 489 I C 1.815 177.939 176.117 0.011 0.000 1.097 489 I CA 1.505 62.813 61.300 0.014 0.000 1.363 489 I CB -1.663 36.349 38.000 0.020 0.000 1.051 489 I HN 0.247 nan 8.210 nan 0.000 0.413 490 D N 0.348 120.758 120.400 0.016 0.000 2.219 490 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 490 D C 2.192 178.493 176.300 0.002 0.000 0.970 490 D CA 0.989 54.996 54.000 0.013 0.000 0.851 490 D CB -0.079 40.734 40.800 0.022 0.000 0.943 490 D HN 0.346 nan 8.370 nan 0.000 0.488 491 M N -0.869 118.728 119.600 -0.005 0.000 2.561 491 M HA 0.133 4.613 4.480 -0.000 0.000 0.238 491 M C 1.101 177.387 176.300 -0.023 0.000 1.131 491 M CA 0.392 55.680 55.300 -0.020 0.000 1.046 491 M CB 0.686 33.263 32.600 -0.039 0.000 1.532 491 M HN 0.096 nan 8.290 nan 0.000 0.497 492 G N 1.725 110.517 108.800 -0.014 0.000 2.162 492 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G C 0.122 175.013 174.900 -0.015 0.000 0.976 492 G CA -0.209 44.884 45.100 -0.012 0.000 0.655 492 G HN 0.480 nan 8.290 nan 0.000 0.533 493 I N 1.493 122.051 120.570 -0.020 0.000 2.308 493 I HA 0.497 4.667 4.170 -0.000 0.000 0.293 493 I C 0.257 176.369 176.117 -0.009 0.000 1.078 493 I CA -0.546 60.741 61.300 -0.021 0.000 1.292 493 I CB 0.379 38.357 38.000 -0.037 0.000 1.423 493 I HN 0.258 nan 8.210 nan 0.000 0.493 494 L N 4.036 125.256 121.223 -0.004 0.000 2.506 494 L HA 0.706 5.046 4.340 -0.000 0.000 0.257 494 L C -1.418 175.455 176.870 0.007 0.000 0.964 494 L CA -0.828 54.014 54.840 0.004 0.000 0.836 494 L CB 1.652 43.715 42.059 0.006 0.000 1.384 494 L HN 0.101 nan 8.230 nan 0.000 0.410 495 D N 1.153 121.559 120.400 0.011 0.000 2.375 495 D HA 0.484 5.124 4.640 -0.000 0.000 0.247 495 D C -2.703 173.607 176.300 0.017 0.000 1.061 495 D CA -1.269 52.739 54.000 0.014 0.000 0.834 495 D CB 2.327 43.136 40.800 0.016 0.000 1.247 495 D HN 0.373 nan 8.370 nan 0.000 0.489 496 P HA 0.032 nan 4.420 nan 0.000 0.264 496 P C 0.905 178.220 177.300 0.024 0.000 1.193 496 P CA 0.057 63.170 63.100 0.022 0.000 0.763 496 P CB 0.605 32.321 31.700 0.027 0.000 0.810 497 T N 2.568 117.135 114.554 0.023 0.000 2.737 497 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 497 T C 1.623 176.341 174.700 0.029 0.000 1.040 497 T CA 1.349 63.463 62.100 0.024 0.000 1.142 497 T CB -0.311 68.569 68.868 0.020 0.000 0.861 497 T HN 0.494 nan 8.240 nan 0.000 0.456 498 K N 0.550 120.968 120.400 0.031 0.000 2.063 498 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 498 K C 2.384 179.014 176.600 0.051 0.000 1.048 498 K CA 1.363 57.674 56.287 0.040 0.000 0.928 498 K CB -0.491 32.032 32.500 0.039 0.000 0.713 498 K HN 0.240 nan 8.250 nan 0.000 0.442 499 V N 0.807 120.749 119.914 0.045 0.000 2.427 499 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 499 V C 1.654 177.777 176.094 0.048 0.000 1.051 499 V CA 2.533 64.861 62.300 0.046 0.000 1.048 499 V CB -0.385 31.458 31.823 0.035 0.000 0.666 499 V HN 0.467 nan 8.190 nan 0.000 0.456 500 T N 0.113 114.691 114.554 0.041 0.000 2.857 500 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 500 T C 1.957 176.684 174.700 0.045 0.000 1.048 500 T CA 1.572 63.695 62.100 0.039 0.000 1.139 500 T CB -0.312 68.574 68.868 0.031 0.000 0.874 500 T HN 0.517 nan 8.240 nan 0.000 0.455 501 R N 1.022 121.549 120.500 0.045 0.000 2.075 501 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 501 R C 2.508 178.847 176.300 0.064 0.000 1.126 501 R CA 1.513 57.638 56.100 0.041 0.000 0.963 501 R CB -0.298 30.022 30.300 0.032 0.000 0.858 501 R HN 0.232 nan 8.270 nan 0.000 0.435 502 S N 0.507 116.270 115.700 0.105 0.000 2.356 502 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 502 S C 1.989 176.734 174.600 0.243 0.000 1.032 502 S CA 1.158 59.487 58.200 0.215 0.000 1.005 502 S CB -0.200 63.130 63.200 0.218 0.000 0.867 502 S HN 0.562 nan 8.310 nan 0.000 0.449 503 A N 1.036 123.937 122.820 0.134 0.000 1.940 503 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 503 A C 2.127 179.772 177.584 0.101 0.000 1.176 503 A CA 1.401 53.501 52.037 0.104 0.000 0.631 503 A CB -0.592 18.443 19.000 0.058 0.000 0.814 503 A HN 0.421 nan 8.150 nan 0.000 0.446 504 L N -0.680 120.589 121.223 0.077 0.000 2.068 504 L HA -0.083 4.257 4.340 -0.000 0.000 0.204 504 L C 2.495 179.391 176.870 0.043 0.000 1.076 504 L CA 2.075 56.946 54.840 0.051 0.000 0.753 504 L CB -0.680 41.398 42.059 0.032 0.000 0.910 504 L HN 0.467 nan 8.230 nan 0.000 0.439 505 Q N -1.583 118.230 119.800 0.022 0.000 2.061 505 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 505 Q C 2.187 178.142 176.000 -0.075 0.000 0.984 505 Q CA 2.335 58.102 55.803 -0.060 0.000 0.846 505 Q CB -0.348 28.303 28.738 -0.146 0.000 0.902 505 Q HN 0.514 nan 8.270 nan 0.000 0.421 506 Y N -0.060 120.244 120.300 0.006 0.000 2.181 506 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 506 Y C 2.367 178.271 175.900 0.006 0.000 1.146 506 Y CA 1.188 59.291 58.100 0.006 0.000 1.164 506 Y CB -0.482 37.981 38.460 0.005 0.000 0.982 506 Y HN 0.154 nan 8.280 nan 0.000 0.515 507 A N -0.232 122.685 122.820 0.161 0.000 1.972 507 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 507 A C 2.378 179.997 177.584 0.058 0.000 1.169 507 A CA 1.742 53.834 52.037 0.092 0.000 0.635 507 A CB -1.108 17.933 19.000 0.069 0.000 0.810 507 A HN 0.409 nan 8.150 nan 0.000 0.446 508 A N -1.098 121.745 122.820 0.040 0.000 1.929 508 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 508 A C 2.417 180.008 177.584 0.012 0.000 1.176 508 A CA 1.801 53.849 52.037 0.018 0.000 0.628 508 A CB -0.841 18.160 19.000 0.003 0.000 0.816 508 A HN 0.515 nan 8.150 nan 0.000 0.444 509 S N -0.734 114.969 115.700 0.006 0.000 2.359 509 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 509 S C 1.971 176.587 174.600 0.026 0.000 1.035 509 S CA 1.802 60.001 58.200 -0.001 0.000 1.018 509 S CB -0.501 62.682 63.200 -0.027 0.000 0.876 509 S HN 0.433 nan 8.310 nan 0.000 0.448 510 V N 1.598 121.543 119.914 0.051 0.000 2.358 510 V HA 0.009 4.129 4.120 -0.000 0.000 0.246 510 V C 2.626 178.741 176.094 0.035 0.000 1.047 510 V CA 1.952 64.282 62.300 0.049 0.000 1.035 510 V CB -1.046 30.813 31.823 0.060 0.000 0.658 510 V HN 0.581 nan 8.190 nan 0.000 0.452 511 A N 0.034 122.874 122.820 0.032 0.000 1.940 511 A HA -0.096 4.223 4.320 -0.000 0.000 0.219 511 A C 2.350 179.946 177.584 0.020 0.000 1.176 511 A CA 2.028 54.080 52.037 0.025 0.000 0.631 511 A CB -1.422 17.592 19.000 0.023 0.000 0.814 511 A HN 0.655 nan 8.150 nan 0.000 0.446 512 G N -0.199 108.611 108.800 0.017 0.000 2.446 512 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 512 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 512 G C 1.552 176.462 174.900 0.015 0.000 1.168 512 G CA 1.094 46.202 45.100 0.013 0.000 0.771 512 G HN 0.446 nan 8.290 nan 0.000 0.551 513 L N -0.386 120.848 121.223 0.019 0.000 2.093 513 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 513 L C 3.033 179.916 176.870 0.023 0.000 1.085 513 L CA 0.801 55.653 54.840 0.021 0.000 0.755 513 L CB -0.232 41.841 42.059 0.023 0.000 0.904 513 L HN 0.214 nan 8.230 nan 0.000 0.435 514 M N -0.913 118.702 119.600 0.024 0.000 2.349 514 M HA -0.128 4.352 4.480 -0.000 0.000 0.266 514 M C 2.159 178.473 176.300 0.023 0.000 1.076 514 M CA 1.501 56.816 55.300 0.025 0.000 1.126 514 M CB -0.027 32.588 32.600 0.026 0.000 1.392 514 M HN 0.210 nan 8.290 nan 0.000 0.440 515 I N -0.176 120.406 120.570 0.020 0.000 2.439 515 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 515 I C 1.780 177.909 176.117 0.020 0.000 1.139 515 I CA 1.209 62.520 61.300 0.019 0.000 1.438 515 I CB -0.151 37.858 38.000 0.016 0.000 1.085 515 I HN 0.323 nan 8.210 nan 0.000 0.427 516 T N -2.562 112.004 114.554 0.021 0.000 3.272 516 T HA 0.110 4.460 4.350 -0.000 0.000 0.250 516 T C 0.611 175.328 174.700 0.028 0.000 1.082 516 T CA -0.182 61.931 62.100 0.022 0.000 0.968 516 T CB -0.731 68.149 68.868 0.019 0.000 1.015 516 T HN -0.010 nan 8.240 nan 0.000 0.563 517 T N 2.364 116.936 114.554 0.029 0.000 2.780 517 T HA 0.298 4.648 4.350 -0.000 0.000 0.294 517 T C 0.610 175.334 174.700 0.041 0.000 0.949 517 T CA -0.546 61.575 62.100 0.034 0.000 1.074 517 T CB 1.604 70.491 68.868 0.032 0.000 0.910 517 T HN 0.123 nan 8.240 nan 0.000 0.501 518 E N 0.463 120.696 120.200 0.055 0.000 2.441 518 E HA 0.158 4.508 4.350 -0.000 0.000 0.212 518 E C 0.075 176.735 176.600 0.101 0.000 0.840 518 E CA 0.142 56.592 56.400 0.083 0.000 1.143 518 E CB 0.893 30.653 29.700 0.100 0.000 1.153 518 E HN 0.575 nan 8.360 nan 0.000 0.539 519 C N 1.021 120.355 119.300 0.056 0.000 2.609 519 C HA 0.698 5.158 4.460 -0.000 0.000 0.313 519 C C -1.042 173.918 174.990 -0.051 0.000 1.175 519 C CA -0.523 58.469 59.018 -0.043 0.000 1.434 519 C CB 0.236 27.984 27.740 0.013 0.000 2.005 519 C HN 0.152 nan 8.230 nan 0.000 0.471 520 M N 5.325 124.876 119.600 -0.082 0.000 2.326 520 M HA 0.560 5.040 4.480 -0.000 0.000 0.306 520 M C -1.103 175.256 176.300 0.098 0.000 1.054 520 M CA -0.502 54.842 55.300 0.074 0.000 0.922 520 M CB 2.095 34.852 32.600 0.261 0.000 1.632 520 M HN 0.381 nan 8.290 nan 0.000 0.436 521 V N 1.789 121.714 119.914 0.018 0.000 2.407 521 V HA 0.669 4.788 4.120 -0.000 0.000 0.291 521 V C -0.294 175.727 176.094 -0.123 0.000 1.018 521 V CA -0.397 61.883 62.300 -0.033 0.000 0.842 521 V CB 1.778 33.580 31.823 -0.034 0.000 0.996 521 V HN 0.936 nan 8.190 nan 0.000 0.426 522 T N 2.152 116.570 114.554 -0.228 0.000 2.838 522 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 522 T C -1.130 173.440 174.700 -0.217 0.000 1.113 522 T CA -0.542 61.374 62.100 -0.306 0.000 1.008 522 T CB 1.896 70.405 68.868 -0.599 0.000 1.259 522 T HN 0.613 nan 8.240 nan 0.000 0.520 523 D N 1.403 121.696 120.400 -0.178 0.000 2.382 523 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 523 D C -0.126 176.111 176.300 -0.106 0.000 1.146 523 D CA -0.040 53.893 54.000 -0.111 0.000 0.897 523 D CB 0.490 41.239 40.800 -0.084 0.000 1.197 523 D HN 0.340 nan 8.370 nan 0.000 0.432 524 L N 3.592 124.782 121.223 -0.055 0.000 2.367 524 L HA 0.291 4.631 4.340 -0.000 0.000 0.275 524 L C -1.614 175.242 176.870 -0.023 0.000 1.129 524 L CA -0.950 53.875 54.840 -0.026 0.000 0.839 524 L CB 0.210 42.267 42.059 -0.004 0.000 1.133 524 L HN 0.376 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 525 P CB 0.000 31.707 31.700 0.011 0.000 0.726