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 1svt_1_M 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 3.079 125.895 122.820 -0.005 0.000 2.546 3 A HA 0.514 4.835 4.320 0.001 0.000 0.243 3 A C 0.431 178.010 177.584 -0.008 0.000 1.063 3 A CA 0.339 52.375 52.037 -0.002 0.000 0.757 3 A CB -0.033 18.968 19.000 0.002 0.000 0.991 3 A HN 0.632 nan 8.150 nan 0.000 0.503 4 K N 1.587 121.984 120.400 -0.006 0.000 2.132 4 K HA 0.435 4.755 4.320 0.001 0.000 0.241 4 K C -0.942 175.659 176.600 0.002 0.000 1.000 4 K CA -0.695 55.583 56.287 -0.014 0.000 0.911 4 K CB 1.079 33.569 32.500 -0.017 0.000 1.093 4 K HN 0.715 nan 8.250 nan 0.000 0.460 5 D N 0.679 121.082 120.400 0.005 0.000 2.278 5 D HA 0.329 4.969 4.640 0.001 0.000 0.245 5 D C -1.347 175.019 176.300 0.111 0.000 1.052 5 D CA -0.651 53.390 54.000 0.068 0.000 0.834 5 D CB 1.381 42.244 40.800 0.104 0.000 1.194 5 D HN 0.050 nan 8.370 nan 0.000 0.481 6 V N 4.199 124.137 119.914 0.041 0.000 2.448 6 V HA 0.433 4.554 4.120 0.001 0.000 0.295 6 V C 0.131 176.058 176.094 -0.279 0.000 1.025 6 V CA -0.745 61.484 62.300 -0.117 0.000 0.859 6 V CB 1.719 33.416 31.823 -0.211 0.000 0.988 6 V HN 0.421 nan 8.190 nan 0.000 0.431 7 K N 3.295 123.472 120.400 -0.372 0.000 2.259 7 K HA 0.750 5.070 4.320 0.001 0.000 0.249 7 K C -1.606 174.652 176.600 -0.570 0.000 0.942 7 K CA -0.463 55.533 56.287 -0.485 0.000 0.816 7 K CB 1.928 34.023 32.500 -0.675 0.000 1.155 7 K HN 0.491 nan 8.250 nan 0.000 0.428 8 F N 0.957 120.856 119.950 -0.085 0.000 2.532 8 F HA 0.408 4.935 4.527 0.001 0.000 0.321 8 F C 1.141 176.908 175.800 -0.055 0.000 1.089 8 F CA 0.198 58.169 58.000 -0.049 0.000 0.926 8 F CB 2.063 41.046 39.000 -0.028 0.000 1.168 8 F HN 0.831 nan 8.300 nan 0.000 0.459 9 G N 2.731 111.651 108.800 0.199 0.000 2.602 9 G HA2 -0.485 3.475 3.960 0.001 0.000 0.310 9 G HA3 -0.485 3.475 3.960 0.001 0.000 0.310 9 G C 1.015 175.942 174.900 0.045 0.000 1.183 9 G CA 1.107 46.272 45.100 0.108 0.000 0.979 9 G HN 0.700 nan 8.290 nan 0.000 0.545 10 N N 1.199 119.917 118.700 0.031 0.000 2.006 10 N HA -0.089 4.652 4.740 0.001 0.000 0.196 10 N C 1.931 177.426 175.510 -0.024 0.000 1.057 10 N CA 2.377 55.429 53.050 0.004 0.000 0.853 10 N CB -0.407 38.081 38.487 0.002 0.000 1.051 10 N HN 0.589 nan 8.380 nan 0.000 0.423 11 D N 0.255 120.632 120.400 -0.039 0.000 2.157 11 D HA -0.253 4.387 4.640 0.001 0.000 0.191 11 D C 1.745 177.956 176.300 -0.147 0.000 1.004 11 D CA 1.630 55.573 54.000 -0.095 0.000 0.854 11 D CB -0.904 39.823 40.800 -0.122 0.000 0.936 11 D HN 0.452 nan 8.370 nan 0.000 0.446 12 A N 0.520 123.255 122.820 -0.143 0.000 1.940 12 A HA -0.219 4.102 4.320 0.001 0.000 0.219 12 A C 2.225 179.757 177.584 -0.085 0.000 1.176 12 A CA 1.678 53.614 52.037 -0.169 0.000 0.631 12 A CB -0.387 18.552 19.000 -0.101 0.000 0.814 12 A HN 0.168 nan 8.150 nan 0.000 0.446 13 R N -1.381 119.093 120.500 -0.045 0.000 2.075 13 R HA 0.062 4.403 4.340 0.001 0.000 0.220 13 R C 2.053 178.342 176.300 -0.018 0.000 1.118 13 R CA 0.977 57.068 56.100 -0.015 0.000 0.986 13 R CB -0.491 29.808 30.300 -0.002 0.000 0.884 13 R HN 0.324 nan 8.270 nan 0.000 0.439 14 V N 1.991 121.887 119.914 -0.029 0.000 2.324 14 V HA -0.310 3.810 4.120 0.001 0.000 0.250 14 V C 2.097 178.176 176.094 -0.025 0.000 1.060 14 V CA 1.732 64.016 62.300 -0.025 0.000 1.042 14 V CB -0.346 31.459 31.823 -0.030 0.000 0.650 14 V HN 0.212 nan 8.190 nan 0.000 0.450 15 K N -0.711 119.660 120.400 -0.049 0.000 1.985 15 K HA -0.111 4.210 4.320 0.001 0.000 0.210 15 K C 2.084 178.698 176.600 0.024 0.000 1.047 15 K CA 1.662 57.938 56.287 -0.018 0.000 0.932 15 K CB -0.818 31.648 32.500 -0.056 0.000 0.716 15 K HN 0.369 nan 8.250 nan 0.000 0.439 16 M N 0.356 119.971 119.600 0.025 0.000 2.143 16 M HA -0.219 4.262 4.480 0.001 0.000 0.258 16 M C 2.011 178.327 176.300 0.026 0.000 1.071 16 M CA 1.284 56.607 55.300 0.039 0.000 1.088 16 M CB -0.183 32.438 32.600 0.034 0.000 1.360 16 M HN 0.093 nan 8.290 nan 0.000 0.404 17 L N 0.267 121.498 121.223 0.015 0.000 2.027 17 L HA -0.162 4.179 4.340 0.001 0.000 0.206 17 L C 2.282 179.160 176.870 0.013 0.000 1.074 17 L CA 1.819 56.667 54.840 0.012 0.000 0.745 17 L CB -0.562 41.501 42.059 0.007 0.000 0.898 17 L HN 0.178 nan 8.230 nan 0.000 0.433 18 R N -0.317 120.191 120.500 0.014 0.000 2.096 18 R HA -0.087 4.254 4.340 0.001 0.000 0.235 18 R C 2.213 178.524 176.300 0.019 0.000 1.127 18 R CA 1.199 57.308 56.100 0.014 0.000 0.968 18 R CB -1.163 29.145 30.300 0.015 0.000 0.861 18 R HN 0.576 nan 8.270 nan 0.000 0.440 19 G N 1.052 109.868 108.800 0.026 0.000 2.433 19 G HA2 -0.266 3.694 3.960 0.001 0.000 0.216 19 G HA3 -0.266 3.694 3.960 0.001 0.000 0.216 19 G C 1.464 176.375 174.900 0.019 0.000 1.186 19 G CA 0.854 45.970 45.100 0.027 0.000 0.779 19 G HN 0.272 nan 8.290 nan 0.000 0.543 20 V N 1.068 120.993 119.914 0.018 0.000 2.343 20 V HA -0.210 3.911 4.120 0.001 0.000 0.247 20 V C 2.252 178.352 176.094 0.011 0.000 1.051 20 V CA 2.802 65.110 62.300 0.014 0.000 1.036 20 V CB -0.808 31.024 31.823 0.015 0.000 0.654 20 V HN 0.511 nan 8.190 nan 0.000 0.451 21 N N -0.553 118.153 118.700 0.011 0.000 2.137 21 N HA -0.183 4.558 4.740 0.001 0.000 0.190 21 N C 1.756 177.270 175.510 0.007 0.000 1.017 21 N CA 1.615 54.670 53.050 0.008 0.000 0.859 21 N CB -0.198 38.294 38.487 0.008 0.000 1.002 21 N HN 0.461 nan 8.380 nan 0.000 0.428 22 V N 1.573 121.491 119.914 0.008 0.000 2.244 22 V HA -0.198 3.923 4.120 0.001 0.000 0.244 22 V C 2.221 178.318 176.094 0.004 0.000 1.042 22 V CA 1.264 63.567 62.300 0.006 0.000 1.006 22 V CB -0.571 31.257 31.823 0.008 0.000 0.641 22 V HN 0.407 nan 8.190 nan 0.000 0.446 23 L N 0.158 121.383 121.223 0.004 0.000 2.013 23 L HA -0.247 4.094 4.340 0.001 0.000 0.212 23 L C 2.490 179.361 176.870 0.001 0.000 1.073 23 L CA 2.600 57.441 54.840 0.001 0.000 0.753 23 L CB -0.718 41.341 42.059 0.001 0.000 0.890 23 L HN 0.403 nan 8.230 nan 0.000 0.432 24 A N -0.766 122.056 122.820 0.003 0.000 1.930 24 A HA -0.214 4.106 4.320 0.001 0.000 0.217 24 A C 1.781 179.366 177.584 0.003 0.000 1.175 24 A CA 1.657 53.696 52.037 0.003 0.000 0.627 24 A CB -0.529 18.474 19.000 0.005 0.000 0.815 24 A HN 0.481 nan 8.150 nan 0.000 0.443 25 D N -0.221 120.181 120.400 0.003 0.000 2.264 25 D HA 0.061 4.701 4.640 0.001 0.000 0.208 25 D C 1.958 178.259 176.300 0.002 0.000 0.966 25 D CA 1.204 55.206 54.000 0.003 0.000 0.864 25 D CB -0.045 40.757 40.800 0.003 0.000 0.933 25 D HN 0.448 nan 8.370 nan 0.000 0.499 26 A N -0.103 122.718 122.820 0.001 0.000 1.924 26 A HA 0.024 4.345 4.320 0.001 0.000 0.211 26 A C 2.193 179.776 177.584 -0.001 0.000 1.198 26 A CA 0.374 52.411 52.037 -0.000 0.000 0.657 26 A CB -0.385 18.615 19.000 -0.000 0.000 0.852 26 A HN 0.149 nan 8.150 nan 0.000 0.454 27 V N 1.298 121.211 119.914 -0.002 0.000 2.591 27 V HA -0.150 3.971 4.120 0.001 0.000 0.249 27 V C 2.425 178.518 176.094 -0.002 0.000 1.053 27 V CA 2.269 64.567 62.300 -0.003 0.000 1.068 27 V CB -0.478 31.342 31.823 -0.005 0.000 0.689 27 V HN 0.762 nan 8.190 nan 0.000 0.462 28 K N 0.707 121.107 120.400 -0.000 0.000 2.283 28 K HA -0.075 4.246 4.320 0.001 0.000 0.202 28 K C 1.553 178.153 176.600 0.001 0.000 1.048 28 K CA 1.859 58.147 56.287 0.001 0.000 0.948 28 K CB -0.568 31.934 32.500 0.003 0.000 0.742 28 K HN 0.520 nan 8.250 nan 0.000 0.458 29 V N -0.069 119.845 119.914 0.001 0.000 3.444 29 V HA -0.024 4.097 4.120 0.001 0.000 0.271 29 V C 1.514 177.608 176.094 0.000 0.000 1.188 29 V CA 1.219 63.520 62.300 0.001 0.000 1.168 29 V CB -1.014 30.809 31.823 0.001 0.000 0.810 29 V HN 0.501 nan 8.190 nan 0.000 0.500 30 T N -3.733 110.821 114.554 -0.001 0.000 3.085 30 T HA 0.262 4.612 4.350 0.001 0.000 0.264 30 T C 1.301 176.000 174.700 -0.003 0.000 1.019 30 T CA 0.240 62.338 62.100 -0.003 0.000 0.910 30 T CB 0.579 69.445 68.868 -0.004 0.000 1.059 30 T HN 0.283 nan 8.240 nan 0.000 0.542 31 L N 2.930 124.153 121.223 -0.000 0.000 1.988 31 L HA 0.349 4.689 4.340 0.001 0.000 0.207 31 L C 1.744 178.614 176.870 -0.001 0.000 1.071 31 L CA 1.528 56.368 54.840 0.000 0.000 0.744 31 L CB -1.451 40.610 42.059 0.003 0.000 0.893 31 L HN 0.440 nan 8.230 nan 0.000 0.433 32 G N -0.379 108.422 108.800 0.002 0.000 3.047 32 G HA2 -0.144 3.817 3.960 0.001 0.000 0.374 32 G HA3 -0.144 3.817 3.960 0.001 0.000 0.374 32 G C -1.515 173.378 174.900 -0.011 0.000 1.277 32 G CA 0.312 45.411 45.100 -0.001 0.000 1.153 32 G HN 0.457 nan 8.290 nan 0.000 0.711 33 P HA 0.121 nan 4.420 nan 0.000 0.240 33 P C 0.365 177.653 177.300 -0.020 0.000 1.190 33 P CA 0.813 63.899 63.100 -0.024 0.000 0.781 33 P CB 0.489 32.166 31.700 -0.038 0.000 0.931 34 K N 0.951 121.343 120.400 -0.014 0.000 3.082 34 K HA 0.352 4.673 4.320 0.001 0.000 0.203 34 K C 0.850 177.448 176.600 -0.003 0.000 1.177 34 K CA -0.356 55.925 56.287 -0.009 0.000 1.041 34 K CB 0.923 33.419 32.500 -0.008 0.000 1.312 34 K HN 0.003 nan 8.250 nan 0.000 0.526 35 G N 1.056 109.854 108.800 -0.004 0.000 2.684 35 G HA2 0.095 4.056 3.960 0.001 0.000 0.255 35 G HA3 0.095 4.056 3.960 0.001 0.000 0.255 35 G C 0.173 175.072 174.900 -0.001 0.000 1.219 35 G CA -0.460 44.639 45.100 -0.002 0.000 0.901 35 G HN 0.221 nan 8.290 nan 0.000 0.548 36 R N -0.302 120.198 120.500 -0.000 0.000 2.691 36 R HA 0.330 4.670 4.340 0.001 0.000 0.259 36 R C -0.073 176.226 176.300 -0.001 0.000 1.048 36 R CA -0.964 55.136 56.100 -0.000 0.000 1.086 36 R CB 0.407 30.707 30.300 0.001 0.000 1.166 36 R HN 0.521 nan 8.270 nan 0.000 0.526 37 N N -0.008 118.691 118.700 -0.001 0.000 2.498 37 N HA 0.259 5.000 4.740 0.001 0.000 0.287 37 N C -0.759 174.751 175.510 -0.001 0.000 1.097 37 N CA -0.303 52.747 53.050 -0.001 0.000 0.973 37 N CB 1.802 40.289 38.487 -0.001 0.000 1.153 37 N HN 0.078 nan 8.380 nan 0.000 0.472 38 V N 1.972 121.885 119.914 -0.001 0.000 2.555 38 V HA 0.351 4.472 4.120 0.001 0.000 0.302 38 V C 0.033 176.126 176.094 -0.000 0.000 1.038 38 V CA -0.788 61.511 62.300 -0.001 0.000 0.887 38 V CB 2.094 33.916 31.823 -0.002 0.000 0.991 38 V HN 0.286 nan 8.190 nan 0.000 0.434 39 V N 6.023 125.937 119.914 -0.000 0.000 2.398 39 V HA 0.488 4.609 4.120 0.001 0.000 0.286 39 V C -0.652 175.442 176.094 0.001 0.000 1.026 39 V CA -0.538 61.763 62.300 0.001 0.000 0.868 39 V CB 1.551 33.374 31.823 0.000 0.000 0.982 39 V HN 0.536 nan 8.190 nan 0.000 0.443 40 L N 4.289 125.514 121.223 0.003 0.000 2.377 40 L HA 0.506 4.847 4.340 0.001 0.000 0.270 40 L C -0.081 176.793 176.870 0.007 0.000 0.991 40 L CA -0.181 54.661 54.840 0.004 0.000 0.851 40 L CB 1.276 43.337 42.059 0.004 0.000 1.218 40 L HN 0.620 nan 8.230 nan 0.000 0.420 41 D N 3.460 123.864 120.400 0.006 0.000 2.362 41 D HA 0.267 4.907 4.640 0.001 0.000 0.238 41 D C -0.184 176.126 176.300 0.016 0.000 1.212 41 D CA 0.442 54.447 54.000 0.008 0.000 0.902 41 D CB 0.762 41.564 40.800 0.003 0.000 1.180 41 D HN 0.455 nan 8.370 nan 0.000 0.445 42 K N 0.005 120.419 120.400 0.024 0.000 2.575 42 K HA 0.251 4.572 4.320 0.001 0.000 0.279 42 K C -0.029 176.606 176.600 0.059 0.000 0.969 42 K CA -0.516 55.798 56.287 0.045 0.000 0.868 42 K CB 1.117 33.646 32.500 0.047 0.000 1.457 42 K HN 0.401 nan 8.250 nan 0.000 0.426 43 S N 1.153 116.918 115.700 0.108 0.000 2.365 43 S HA 0.130 4.600 4.470 0.001 0.000 0.194 43 S C 0.570 175.225 174.600 0.092 0.000 1.093 43 S CA 0.273 58.524 58.200 0.085 0.000 1.224 43 S CB -0.667 62.619 63.200 0.144 0.000 0.961 43 S HN 0.444 nan 8.310 nan 0.000 0.412 44 F N 3.171 123.119 119.950 -0.004 0.000 2.572 44 F HA 0.473 5.000 4.527 0.001 0.000 0.370 44 F C 1.613 177.411 175.800 -0.004 0.000 1.103 44 F CA 0.451 58.449 58.000 -0.004 0.000 1.286 44 F CB -1.171 37.827 39.000 -0.004 0.000 1.105 44 F HN 0.782 nan 8.300 nan 0.000 0.583 45 G N 0.928 109.812 108.800 0.140 0.000 2.741 45 G HA2 0.200 4.160 3.960 0.001 0.000 0.222 45 G HA3 0.200 4.160 3.960 0.001 0.000 0.222 45 G C -0.583 174.345 174.900 0.046 0.000 1.364 45 G CA -0.711 44.438 45.100 0.081 0.000 0.866 45 G HN 1.186 nan 8.290 nan 0.000 0.555 46 A N 1.093 123.933 122.820 0.035 0.000 2.304 46 A HA 0.835 5.156 4.320 0.001 0.000 0.271 46 A C -0.771 176.825 177.584 0.021 0.000 1.091 46 A CA -0.170 51.880 52.037 0.020 0.000 0.812 46 A CB 0.172 19.182 19.000 0.016 0.000 1.056 46 A HN 0.933 nan 8.150 nan 0.000 0.489 47 P HA 0.201 nan 4.420 nan 0.000 0.274 47 P C -0.367 176.940 177.300 0.012 0.000 1.264 47 P CA 0.047 63.154 63.100 0.012 0.000 0.795 47 P CB 0.319 32.023 31.700 0.006 0.000 1.064 48 T N 0.859 115.419 114.554 0.010 0.000 2.779 48 T HA 0.485 4.836 4.350 0.001 0.000 0.280 48 T C 0.151 174.853 174.700 0.005 0.000 0.987 48 T CA -0.387 61.717 62.100 0.008 0.000 0.966 48 T CB 0.136 69.009 68.868 0.008 0.000 0.933 48 T HN 0.161 nan 8.240 nan 0.000 0.442 49 I N 2.978 123.550 120.570 0.003 0.000 2.331 49 I HA 0.461 4.632 4.170 0.001 0.000 0.292 49 I C 0.494 176.611 176.117 0.000 0.000 0.998 49 I CA -0.465 60.836 61.300 0.002 0.000 1.267 49 I CB 1.490 39.490 38.000 0.001 0.000 1.386 49 I HN 0.464 nan 8.210 nan 0.000 0.476 50 T N 4.642 119.195 114.554 -0.001 0.000 2.916 50 T HA 0.319 4.670 4.350 0.001 0.000 0.305 50 T C -0.017 174.681 174.700 -0.003 0.000 1.119 50 T CA -0.529 61.569 62.100 -0.002 0.000 1.008 50 T CB 1.862 70.728 68.868 -0.002 0.000 1.129 50 T HN 0.672 nan 8.240 nan 0.000 0.480 51 K N 1.736 122.134 120.400 -0.004 0.000 2.455 51 K HA 0.263 4.584 4.320 0.001 0.000 0.206 51 K C -0.662 175.934 176.600 -0.007 0.000 1.027 51 K CA -0.158 56.126 56.287 -0.005 0.000 1.113 51 K CB 0.400 32.897 32.500 -0.006 0.000 0.850 51 K HN 0.524 nan 8.250 nan 0.000 0.503 52 D N -1.225 119.171 120.400 -0.007 0.000 2.453 52 D HA 0.192 4.832 4.640 0.001 0.000 0.238 52 D C 1.162 177.456 176.300 -0.010 0.000 1.088 52 D CA -0.553 53.441 54.000 -0.009 0.000 0.854 52 D CB 1.396 42.190 40.800 -0.010 0.000 1.076 52 D HN 0.075 nan 8.370 nan 0.000 0.533 53 G N 2.297 111.091 108.800 -0.011 0.000 2.505 53 G HA2 -0.289 3.672 3.960 0.001 0.000 0.220 53 G HA3 -0.289 3.672 3.960 0.001 0.000 0.220 53 G C 1.433 176.324 174.900 -0.015 0.000 1.145 53 G CA 1.160 46.253 45.100 -0.012 0.000 0.761 53 G HN 0.482 nan 8.290 nan 0.000 0.571 54 V N 0.582 120.484 119.914 -0.019 0.000 2.407 54 V HA -0.190 3.931 4.120 0.001 0.000 0.248 54 V C 3.033 179.116 176.094 -0.019 0.000 1.055 54 V CA 2.172 64.458 62.300 -0.023 0.000 1.049 54 V CB -0.632 31.174 31.823 -0.027 0.000 0.662 54 V HN 0.386 nan 8.190 nan 0.000 0.455 55 S N -0.278 115.413 115.700 -0.015 0.000 2.356 55 S HA -0.174 4.297 4.470 0.001 0.000 0.223 55 S C 2.032 176.626 174.600 -0.010 0.000 1.032 55 S CA 1.639 59.832 58.200 -0.012 0.000 1.005 55 S CB -0.207 62.988 63.200 -0.009 0.000 0.867 55 S HN 0.372 nan 8.310 nan 0.000 0.449 56 V N 1.893 121.802 119.914 -0.009 0.000 2.255 56 V HA -0.236 3.885 4.120 0.001 0.000 0.247 56 V C 2.625 178.713 176.094 -0.009 0.000 1.051 56 V CA 1.882 64.177 62.300 -0.007 0.000 1.018 56 V CB -1.230 30.589 31.823 -0.006 0.000 0.641 56 V HN 0.553 nan 8.190 nan 0.000 0.445 57 A N 0.085 122.898 122.820 -0.012 0.000 1.908 57 A HA -0.298 4.023 4.320 0.001 0.000 0.218 57 A C 2.381 179.956 177.584 -0.015 0.000 1.181 57 A CA 2.242 54.271 52.037 -0.014 0.000 0.627 57 A CB -0.669 18.320 19.000 -0.018 0.000 0.818 57 A HN 0.527 nan 8.150 nan 0.000 0.445 58 R N -0.535 119.955 120.500 -0.017 0.000 2.119 58 R HA -0.240 4.101 4.340 0.001 0.000 0.246 58 R C 1.850 178.142 176.300 -0.013 0.000 1.146 58 R CA 2.088 58.178 56.100 -0.017 0.000 0.962 58 R CB -0.245 30.045 30.300 -0.017 0.000 0.863 58 R HN 0.442 nan 8.270 nan 0.000 0.442 59 E N 0.087 120.282 120.200 -0.009 0.000 2.285 59 E HA 0.038 4.389 4.350 0.001 0.000 0.194 59 E C 0.074 176.671 176.600 -0.006 0.000 0.997 59 E CA 0.286 56.682 56.400 -0.006 0.000 0.845 59 E CB 0.104 29.802 29.700 -0.003 0.000 0.782 59 E HN 0.256 nan 8.360 nan 0.000 0.491 60 I N 1.651 122.216 120.570 -0.007 0.000 2.648 60 I HA 0.109 4.280 4.170 0.001 0.000 0.284 60 I C 0.249 176.362 176.117 -0.008 0.000 1.153 60 I CA 0.592 61.888 61.300 -0.006 0.000 1.426 60 I CB 0.374 38.371 38.000 -0.006 0.000 1.381 60 I HN 0.081 nan 8.210 nan 0.000 0.571 61 E N 6.585 126.781 120.200 -0.006 0.000 2.522 61 E HA 0.351 4.702 4.350 0.001 0.000 0.315 61 E C -1.800 174.797 176.600 -0.006 0.000 0.917 61 E CA -0.457 55.938 56.400 -0.008 0.000 0.796 61 E CB 1.389 31.083 29.700 -0.010 0.000 1.323 61 E HN 0.457 nan 8.360 nan 0.000 0.397 62 L N 2.966 124.186 121.223 -0.005 0.000 2.400 62 L HA 0.422 4.763 4.340 0.001 0.000 0.264 62 L C 1.596 178.463 176.870 -0.004 0.000 1.061 62 L CA -0.448 54.392 54.840 -0.000 0.000 0.799 62 L CB 1.197 43.261 42.059 0.008 0.000 1.240 62 L HN 0.708 nan 8.230 nan 0.000 0.461 63 E N 0.344 120.545 120.200 0.001 0.000 2.033 63 E HA -0.159 4.192 4.350 0.001 0.000 0.189 63 E C 0.351 176.948 176.600 -0.004 0.000 0.979 63 E CA 0.403 56.801 56.400 -0.003 0.000 0.802 63 E CB 0.269 29.970 29.700 0.002 0.000 0.763 63 E HN 0.638 nan 8.360 nan 0.000 0.449 64 D N 1.784 122.192 120.400 0.015 0.000 2.348 64 D HA -0.012 4.629 4.640 0.001 0.000 0.259 64 D C -0.672 175.641 176.300 0.022 0.000 1.296 64 D CA 0.086 54.109 54.000 0.037 0.000 0.931 64 D CB 0.256 41.099 40.800 0.072 0.000 1.067 64 D HN 0.072 nan 8.370 nan 0.000 0.503 65 K N 2.774 123.135 120.400 -0.064 0.000 2.339 65 K HA 0.057 4.378 4.320 0.001 0.000 0.260 65 K C 0.641 177.158 176.600 -0.139 0.000 0.989 65 K CA -0.314 55.864 56.287 -0.183 0.000 0.888 65 K CB 0.411 32.705 32.500 -0.345 0.000 0.983 65 K HN 0.334 nan 8.250 nan 0.000 0.515 66 F N -1.687 118.249 119.950 -0.023 0.000 2.525 66 F HA -0.380 4.148 4.527 0.001 0.000 0.755 66 F C 1.997 177.786 175.800 -0.017 0.000 0.485 66 F CA 1.733 59.718 58.000 -0.025 0.000 0.762 66 F CB -1.575 37.409 39.000 -0.028 0.000 1.609 66 F HN 0.775 nan 8.300 nan 0.000 0.279 67 E N 0.254 120.584 120.200 0.216 0.000 2.136 67 E HA -0.341 4.010 4.350 0.001 0.000 0.208 67 E C 1.643 178.280 176.600 0.061 0.000 1.035 67 E CA 2.028 58.489 56.400 0.102 0.000 0.838 67 E CB -0.362 29.386 29.700 0.080 0.000 0.748 67 E HN 0.468 nan 8.360 nan 0.000 0.459 68 N N -0.092 118.631 118.700 0.039 0.000 2.018 68 N HA -0.186 4.555 4.740 0.001 0.000 0.196 68 N C 1.776 177.290 175.510 0.007 0.000 1.043 68 N CA 1.772 54.826 53.050 0.006 0.000 0.856 68 N CB -0.089 38.383 38.487 -0.025 0.000 1.042 68 N HN 0.127 nan 8.380 nan 0.000 0.423 69 M N -0.608 118.996 119.600 0.008 0.000 2.082 69 M HA -0.130 4.351 4.480 0.001 0.000 0.258 69 M C 2.255 178.570 176.300 0.025 0.000 1.069 69 M CA 1.825 57.132 55.300 0.011 0.000 1.102 69 M CB -1.013 31.602 32.600 0.026 0.000 1.336 69 M HN 0.328 nan 8.290 nan 0.000 0.404 70 G N 0.126 108.953 108.800 0.044 0.000 2.513 70 G HA2 -0.205 3.756 3.960 0.001 0.000 0.219 70 G HA3 -0.205 3.756 3.960 0.001 0.000 0.219 70 G C 1.623 176.536 174.900 0.022 0.000 1.160 70 G CA 1.387 46.510 45.100 0.038 0.000 0.767 70 G HN 0.572 nan 8.290 nan 0.000 0.571 71 A N -0.420 122.411 122.820 0.018 0.000 1.874 71 A HA 0.039 4.360 4.320 0.001 0.000 0.214 71 A C 2.350 179.934 177.584 0.000 0.000 1.189 71 A CA 1.678 53.720 52.037 0.008 0.000 0.615 71 A CB -0.347 18.657 19.000 0.006 0.000 0.830 71 A HN 0.281 nan 8.150 nan 0.000 0.443 72 Q N -0.727 119.071 119.800 -0.002 0.000 2.297 72 Q HA -0.153 4.188 4.340 0.001 0.000 0.208 72 Q C 1.909 177.904 176.000 -0.009 0.000 0.981 72 Q CA 1.413 57.210 55.803 -0.009 0.000 0.876 72 Q CB -0.460 28.270 28.738 -0.014 0.000 0.921 72 Q HN 0.769 nan 8.270 nan 0.000 0.446 73 M N -0.982 118.618 119.600 -0.000 0.000 2.134 73 M HA -0.110 4.371 4.480 0.001 0.000 0.262 73 M C 2.210 178.509 176.300 -0.002 0.000 1.076 73 M CA 0.811 56.112 55.300 0.002 0.000 1.143 73 M CB -0.073 32.534 32.600 0.013 0.000 1.346 73 M HN -0.072 nan 8.290 nan 0.000 0.421 74 V N 0.769 120.684 119.914 0.002 0.000 2.287 74 V HA -0.332 3.789 4.120 0.001 0.000 0.248 74 V C 2.162 178.245 176.094 -0.018 0.000 1.053 74 V CA 1.860 64.159 62.300 -0.001 0.000 1.027 74 V CB -0.762 31.064 31.823 0.005 0.000 0.646 74 V HN 0.438 nan 8.190 nan 0.000 0.447 75 K N -0.456 119.932 120.400 -0.020 0.000 2.074 75 K HA -0.272 4.049 4.320 0.001 0.000 0.209 75 K C 2.286 178.856 176.600 -0.050 0.000 1.048 75 K CA 1.973 58.240 56.287 -0.032 0.000 0.926 75 K CB -0.205 32.279 32.500 -0.026 0.000 0.713 75 K HN 0.543 nan 8.250 nan 0.000 0.444 76 E N 0.457 120.630 120.200 -0.046 0.000 2.047 76 E HA -0.149 4.202 4.350 0.001 0.000 0.191 76 E C 2.038 178.574 176.600 -0.107 0.000 0.987 76 E CA 0.859 57.222 56.400 -0.063 0.000 0.799 76 E CB 0.192 29.866 29.700 -0.043 0.000 0.752 76 E HN 0.041 nan 8.360 nan 0.000 0.449 77 V N 1.237 121.094 119.914 -0.095 0.000 2.237 77 V HA -0.283 3.838 4.120 0.001 0.000 0.245 77 V C 2.452 178.390 176.094 -0.260 0.000 1.046 77 V CA 2.000 64.208 62.300 -0.153 0.000 1.007 77 V CB -0.713 31.098 31.823 -0.020 0.000 0.638 77 V HN 0.418 nan 8.190 nan 0.000 0.445 78 A N -0.767 121.972 122.820 -0.135 0.000 1.978 78 A HA -0.251 4.070 4.320 0.001 0.000 0.220 78 A C 2.548 180.038 177.584 -0.157 0.000 1.170 78 A CA 2.300 54.265 52.037 -0.121 0.000 0.636 78 A CB -0.734 18.234 19.000 -0.052 0.000 0.810 78 A HN 0.578 nan 8.150 nan 0.000 0.448 79 S N -0.593 115.015 115.700 -0.153 0.000 2.383 79 S HA -0.165 4.305 4.470 0.001 0.000 0.227 79 S C 1.981 176.469 174.600 -0.187 0.000 1.026 79 S CA 1.665 59.783 58.200 -0.136 0.000 0.981 79 S CB -0.322 62.818 63.200 -0.100 0.000 0.818 79 S HN 0.581 nan 8.310 nan 0.000 0.472 80 K N 0.589 120.807 120.400 -0.302 0.000 2.211 80 K HA -0.028 4.293 4.320 0.001 0.000 0.204 80 K C 2.267 178.601 176.600 -0.443 0.000 1.047 80 K CA 1.022 57.059 56.287 -0.416 0.000 0.935 80 K CB -0.411 31.703 32.500 -0.644 0.000 0.728 80 K HN 0.506 nan 8.250 nan 0.000 0.452 81 A N 1.705 124.254 122.820 -0.452 0.000 1.845 81 A HA -0.238 4.083 4.320 0.001 0.000 0.215 81 A C 1.945 179.506 177.584 -0.037 0.000 1.195 81 A CA 1.668 53.643 52.037 -0.103 0.000 0.616 81 A CB -0.796 18.205 19.000 0.002 0.000 0.832 81 A HN 0.323 nan 8.150 nan 0.000 0.443 82 N N 0.235 118.887 118.700 -0.080 0.000 2.091 82 N HA -0.210 4.531 4.740 0.001 0.000 0.193 82 N C 0.962 176.429 175.510 -0.071 0.000 1.021 82 N CA 1.940 54.945 53.050 -0.076 0.000 0.862 82 N CB -0.340 38.096 38.487 -0.085 0.000 1.018 82 N HN 0.436 nan 8.380 nan 0.000 0.429 83 D N -0.131 120.231 120.400 -0.065 0.000 2.219 83 D HA -0.024 4.617 4.640 0.001 0.000 0.205 83 D C 0.460 176.769 176.300 0.015 0.000 0.970 83 D CA 0.603 54.584 54.000 -0.031 0.000 0.851 83 D CB -0.048 40.728 40.800 -0.041 0.000 0.943 83 D HN 0.273 nan 8.370 nan 0.000 0.488 84 A N -0.781 122.061 122.820 0.037 0.000 3.215 84 A HA 0.744 5.065 4.320 0.001 0.000 0.320 84 A C 0.525 178.158 177.584 0.080 0.000 1.084 84 A CA 0.390 52.477 52.037 0.085 0.000 0.969 84 A CB 0.272 19.365 19.000 0.155 0.000 1.064 84 A HN 0.108 nan 8.150 nan 0.000 0.513 85 A N -0.816 122.039 122.820 0.058 0.000 3.550 85 A HA 0.468 4.788 4.320 0.001 0.000 0.098 85 A C 1.263 178.836 177.584 -0.018 0.000 1.302 85 A CA 0.868 52.929 52.037 0.040 0.000 1.218 85 A CB -1.000 18.019 19.000 0.033 0.000 0.888 85 A HN 2.139 nan 8.150 nan 0.000 0.419 86 G N -0.595 108.135 108.800 -0.117 0.000 2.559 86 G HA2 0.246 4.207 3.960 0.001 0.000 0.202 86 G HA3 0.246 4.207 3.960 0.001 0.000 0.202 86 G C -0.419 174.376 174.900 -0.176 0.000 0.992 86 G CA 1.020 45.941 45.100 -0.299 0.000 0.764 86 G HN 1.012 nan 8.290 nan 0.000 0.525 87 D N -1.793 118.553 120.400 -0.090 0.000 2.759 87 D HA 0.519 5.159 4.640 0.001 0.000 0.321 87 D C 0.996 177.276 176.300 -0.032 0.000 1.267 87 D CA 0.442 54.408 54.000 -0.057 0.000 0.933 87 D CB 1.161 41.939 40.800 -0.037 0.000 1.431 87 D HN 1.106 nan 8.370 nan 0.000 0.504 88 G N -0.395 108.393 108.800 -0.020 0.000 2.179 88 G HA2 -0.279 3.682 3.960 0.001 0.000 0.220 88 G HA3 -0.279 3.682 3.960 0.001 0.000 0.220 88 G C 1.043 175.939 174.900 -0.008 0.000 0.990 88 G CA 0.908 46.006 45.100 -0.003 0.000 0.646 88 G HN 0.482 nan 8.290 nan 0.000 0.517 89 T N 1.211 115.749 114.554 -0.025 0.000 2.653 89 T HA -0.172 4.179 4.350 0.001 0.000 0.268 89 T C 2.537 177.226 174.700 -0.020 0.000 1.035 89 T CA 2.608 64.689 62.100 -0.033 0.000 1.154 89 T CB -0.466 68.377 68.868 -0.042 0.000 0.862 89 T HN 0.531 nan 8.240 nan 0.000 0.441 90 T N 1.542 116.088 114.554 -0.015 0.000 2.812 90 T HA -0.085 4.266 4.350 0.001 0.000 0.264 90 T C 2.298 176.998 174.700 -0.000 0.000 1.042 90 T CA 1.536 63.632 62.100 -0.008 0.000 1.140 90 T CB -0.733 68.130 68.868 -0.008 0.000 0.870 90 T HN 0.406 nan 8.240 nan 0.000 0.445 91 T N 2.472 117.028 114.554 0.003 0.000 2.580 91 T HA -0.171 4.180 4.350 0.001 0.000 0.265 91 T C 2.401 177.113 174.700 0.019 0.000 1.063 91 T CA 1.518 63.625 62.100 0.012 0.000 1.170 91 T CB -0.897 67.980 68.868 0.015 0.000 0.863 91 T HN 0.446 nan 8.240 nan 0.000 0.418 92 A N 1.431 124.266 122.820 0.024 0.000 1.894 92 A HA -0.292 4.029 4.320 0.001 0.000 0.220 92 A C 2.560 180.158 177.584 0.024 0.000 1.237 92 A CA 2.915 54.973 52.037 0.035 0.000 0.660 92 A CB -1.663 17.352 19.000 0.026 0.000 0.835 92 A HN 0.541 nan 8.150 nan 0.000 0.461 93 T N -0.484 114.075 114.554 0.008 0.000 2.684 93 T HA -0.138 4.213 4.350 0.001 0.000 0.267 93 T C 1.860 176.567 174.700 0.010 0.000 1.036 93 T CA 1.752 63.856 62.100 0.006 0.000 1.148 93 T CB -0.583 68.284 68.868 -0.002 0.000 0.863 93 T HN 0.203 nan 8.240 nan 0.000 0.436 94 V N 1.179 121.099 119.914 0.010 0.000 2.490 94 V HA -0.090 4.030 4.120 0.001 0.000 0.250 94 V C 2.377 178.479 176.094 0.014 0.000 1.061 94 V CA 1.372 63.679 62.300 0.011 0.000 1.064 94 V CB -0.656 31.173 31.823 0.010 0.000 0.670 94 V HN 0.403 nan 8.190 nan 0.000 0.461 95 L N -0.178 121.056 121.223 0.019 0.000 2.131 95 L HA 0.019 4.359 4.340 0.001 0.000 0.206 95 L C 2.687 179.571 176.870 0.023 0.000 1.087 95 L CA 1.216 56.069 54.840 0.022 0.000 0.767 95 L CB -0.665 41.410 42.059 0.027 0.000 0.917 95 L HN 0.302 nan 8.230 nan 0.000 0.441 96 A N -0.532 122.303 122.820 0.026 0.000 1.902 96 A HA -0.286 4.035 4.320 0.001 0.000 0.217 96 A C 2.256 179.852 177.584 0.020 0.000 1.181 96 A CA 1.807 53.860 52.037 0.027 0.000 0.623 96 A CB -0.577 18.441 19.000 0.029 0.000 0.818 96 A HN 0.482 nan 8.150 nan 0.000 0.443 97 Q N -0.604 119.205 119.800 0.016 0.000 2.124 97 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 97 Q C 2.148 178.156 176.000 0.013 0.000 0.977 97 Q CA 1.552 57.363 55.803 0.013 0.000 0.850 97 Q CB -0.285 28.459 28.738 0.011 0.000 0.901 97 Q HN 0.631 nan 8.270 nan 0.000 0.429 98 A N 0.447 123.275 122.820 0.014 0.000 1.897 98 A HA -0.092 4.229 4.320 0.001 0.000 0.215 98 A C 1.918 179.509 177.584 0.012 0.000 1.181 98 A CA 0.982 53.026 52.037 0.012 0.000 0.620 98 A CB -0.435 18.573 19.000 0.013 0.000 0.821 98 A HN 0.415 nan 8.150 nan 0.000 0.443 99 I N -0.018 120.561 120.570 0.015 0.000 2.133 99 I HA -0.232 3.938 4.170 0.001 0.000 0.238 99 I C 2.262 178.388 176.117 0.014 0.000 1.074 99 I CA 1.379 62.688 61.300 0.015 0.000 1.342 99 I CB -0.531 37.479 38.000 0.017 0.000 1.053 99 I HN 0.244 nan 8.210 nan 0.000 0.404 100 I N 0.507 121.086 120.570 0.016 0.000 2.185 100 I HA -0.338 3.833 4.170 0.001 0.000 0.246 100 I C 2.628 178.752 176.117 0.012 0.000 1.088 100 I CA 1.718 63.027 61.300 0.015 0.000 1.347 100 I CB -0.902 37.108 38.000 0.016 0.000 1.041 100 I HN 0.307 nan 8.210 nan 0.000 0.415 101 T N 0.039 114.600 114.554 0.011 0.000 2.746 101 T HA -0.145 4.205 4.350 0.001 0.000 0.267 101 T C 1.843 176.548 174.700 0.008 0.000 1.039 101 T CA 1.371 63.476 62.100 0.009 0.000 1.142 101 T CB -0.065 68.808 68.868 0.008 0.000 0.866 101 T HN 0.302 nan 8.240 nan 0.000 0.444 102 E N 0.123 120.328 120.200 0.008 0.000 2.140 102 E HA 0.127 4.478 4.350 0.001 0.000 0.191 102 E C 2.452 179.056 176.600 0.007 0.000 0.973 102 E CA 0.691 57.096 56.400 0.007 0.000 0.829 102 E CB -0.781 28.923 29.700 0.007 0.000 0.781 102 E HN 0.509 nan 8.360 nan 0.000 0.466 103 G N 1.666 110.471 108.800 0.009 0.000 2.453 103 G HA2 -0.229 3.732 3.960 0.001 0.000 0.215 103 G HA3 -0.229 3.732 3.960 0.001 0.000 0.215 103 G C 1.522 176.427 174.900 0.009 0.000 1.201 103 G CA 0.520 45.626 45.100 0.009 0.000 0.784 103 G HN 0.155 nan 8.290 nan 0.000 0.545 104 L N 0.864 122.093 121.223 0.009 0.000 2.083 104 L HA 0.031 4.372 4.340 0.001 0.000 0.209 104 L C 2.669 179.542 176.870 0.006 0.000 1.083 104 L CA 1.809 56.654 54.840 0.008 0.000 0.752 104 L CB -0.742 41.322 42.059 0.008 0.000 0.899 104 L HN 0.283 nan 8.230 nan 0.000 0.433 105 K N -0.889 119.514 120.400 0.005 0.000 2.057 105 K HA -0.157 4.164 4.320 0.001 0.000 0.207 105 K C 2.056 178.658 176.600 0.004 0.000 1.049 105 K CA 1.244 57.533 56.287 0.004 0.000 0.931 105 K CB -0.039 32.464 32.500 0.004 0.000 0.714 105 K HN 0.283 nan 8.250 nan 0.000 0.440 106 A N 0.870 123.692 122.820 0.005 0.000 1.883 106 A HA -0.154 4.166 4.320 0.001 0.000 0.217 106 A C 2.258 179.844 177.584 0.004 0.000 1.186 106 A CA 1.947 53.986 52.037 0.004 0.000 0.624 106 A CB -1.032 17.971 19.000 0.005 0.000 0.822 106 A HN 0.329 nan 8.150 nan 0.000 0.444 107 V N -1.600 118.318 119.914 0.005 0.000 2.427 107 V HA -0.002 4.119 4.120 0.001 0.000 0.248 107 V C 2.383 178.480 176.094 0.004 0.000 1.051 107 V CA 2.181 64.485 62.300 0.006 0.000 1.048 107 V CB -0.994 30.834 31.823 0.008 0.000 0.666 107 V HN 0.577 nan 8.190 nan 0.000 0.456 108 A N -0.202 122.620 122.820 0.004 0.000 2.209 108 A HA 0.419 4.740 4.320 0.001 0.000 0.212 108 A C 2.267 179.852 177.584 0.001 0.000 1.158 108 A CA 1.438 53.476 52.037 0.002 0.000 0.742 108 A CB -0.664 18.337 19.000 0.001 0.000 0.790 108 A HN 1.047 nan 8.150 nan 0.000 0.472 109 A N -1.745 121.076 122.820 0.002 0.000 2.147 109 A HA 0.450 4.770 4.320 0.001 0.000 0.211 109 A C 1.527 179.112 177.584 0.001 0.000 1.160 109 A CA 1.090 53.128 52.037 0.001 0.000 0.781 109 A CB -0.338 18.663 19.000 0.001 0.000 0.842 109 A HN 1.764 nan 8.150 nan 0.000 0.475 110 G N -1.025 107.775 108.800 0.001 0.000 2.237 110 G HA2 -0.114 3.847 3.960 0.001 0.000 0.153 110 G HA3 -0.114 3.847 3.960 0.001 0.000 0.153 110 G C -0.177 174.724 174.900 0.001 0.000 1.039 110 G CA 0.082 45.182 45.100 0.000 0.000 0.719 110 G HN 0.292 nan 8.290 nan 0.000 0.491 111 M N -0.047 119.554 119.600 0.002 0.000 2.777 111 M HA 0.425 4.906 4.480 0.001 0.000 0.307 111 M C 0.148 176.450 176.300 0.003 0.000 1.228 111 M CA -1.017 54.284 55.300 0.002 0.000 0.871 111 M CB 1.442 34.043 32.600 0.003 0.000 1.721 111 M HN 0.107 nan 8.290 nan 0.000 0.487 112 N N 1.737 120.439 118.700 0.003 0.000 2.411 112 N HA 0.186 4.926 4.740 0.001 0.000 0.259 112 N C -2.216 173.298 175.510 0.005 0.000 1.103 112 N CA -1.379 51.674 53.050 0.004 0.000 0.954 112 N CB 1.402 39.891 38.487 0.003 0.000 1.085 112 N HN 0.250 nan 8.380 nan 0.000 0.485 113 P HA -0.075 nan 4.420 nan 0.000 0.217 113 P C 1.385 178.690 177.300 0.009 0.000 1.150 113 P CA 1.076 64.181 63.100 0.009 0.000 0.832 113 P CB 0.266 31.973 31.700 0.012 0.000 0.787 114 M N -0.759 118.846 119.600 0.008 0.000 2.229 114 M HA -0.120 4.361 4.480 0.001 0.000 0.264 114 M C 1.367 177.671 176.300 0.006 0.000 1.063 114 M CA 1.654 56.958 55.300 0.008 0.000 1.114 114 M CB -0.820 31.784 32.600 0.007 0.000 1.387 114 M HN -0.178 nan 8.290 nan 0.000 0.420 115 D N -0.527 119.876 120.400 0.005 0.000 2.137 115 D HA -0.072 4.569 4.640 0.001 0.000 0.202 115 D C 2.066 178.369 176.300 0.005 0.000 0.970 115 D CA 1.158 55.161 54.000 0.004 0.000 0.837 115 D CB -0.237 40.565 40.800 0.003 0.000 0.981 115 D HN 0.328 nan 8.370 nan 0.000 0.475 116 L N 1.020 122.247 121.223 0.006 0.000 2.013 116 L HA -0.227 4.114 4.340 0.001 0.000 0.212 116 L C 2.572 179.446 176.870 0.007 0.000 1.073 116 L CA 1.355 56.198 54.840 0.006 0.000 0.753 116 L CB -0.312 41.751 42.059 0.007 0.000 0.890 116 L HN -0.002 nan 8.230 nan 0.000 0.432 117 K N 0.171 120.575 120.400 0.008 0.000 1.973 117 K HA -0.240 4.081 4.320 0.001 0.000 0.212 117 K C 2.314 178.917 176.600 0.006 0.000 1.047 117 K CA 1.479 57.771 56.287 0.008 0.000 0.937 117 K CB -0.132 32.374 32.500 0.009 0.000 0.721 117 K HN 0.028 nan 8.250 nan 0.000 0.440 118 R N -0.173 120.330 120.500 0.005 0.000 2.134 118 R HA -0.193 4.148 4.340 0.001 0.000 0.248 118 R C 2.307 178.609 176.300 0.002 0.000 1.143 118 R CA 2.010 58.112 56.100 0.003 0.000 0.957 118 R CB -0.825 29.477 30.300 0.003 0.000 0.867 118 R HN 0.507 nan 8.270 nan 0.000 0.441 119 G N 0.769 109.571 108.800 0.003 0.000 2.545 119 G HA2 -0.304 3.656 3.960 0.001 0.000 0.217 119 G HA3 -0.304 3.656 3.960 0.001 0.000 0.217 119 G C 1.434 176.336 174.900 0.003 0.000 1.218 119 G CA 1.193 46.295 45.100 0.003 0.000 0.787 119 G HN 0.319 nan 8.290 nan 0.000 0.571 120 I N 1.175 121.748 120.570 0.005 0.000 2.229 120 I HA -0.243 3.927 4.170 0.001 0.000 0.250 120 I C 2.310 178.428 176.117 0.002 0.000 1.096 120 I CA 1.652 62.955 61.300 0.005 0.000 1.358 120 I CB -0.098 37.906 38.000 0.007 0.000 1.047 120 I HN 0.151 nan 8.210 nan 0.000 0.422 121 D N 0.182 120.583 120.400 0.001 0.000 2.123 121 D HA -0.183 4.458 4.640 0.001 0.000 0.200 121 D C 2.072 178.370 176.300 -0.004 0.000 0.976 121 D CA 0.995 54.993 54.000 -0.003 0.000 0.831 121 D CB -0.227 40.571 40.800 -0.004 0.000 0.974 121 D HN 0.311 nan 8.370 nan 0.000 0.469 122 K N 0.860 121.258 120.400 -0.002 0.000 2.063 122 K HA -0.131 4.189 4.320 0.001 0.000 0.208 122 K C 2.041 178.640 176.600 -0.001 0.000 1.048 122 K CA 1.331 57.617 56.287 -0.002 0.000 0.928 122 K CB -0.013 32.487 32.500 -0.000 0.000 0.713 122 K HN 0.010 nan 8.250 nan 0.000 0.442 123 A N 0.381 123.201 122.820 0.001 0.000 1.902 123 A HA -0.106 4.215 4.320 0.001 0.000 0.217 123 A C 2.204 179.789 177.584 0.001 0.000 1.181 123 A CA 1.609 53.647 52.037 0.002 0.000 0.623 123 A CB -0.530 18.473 19.000 0.004 0.000 0.818 123 A HN 0.170 nan 8.150 nan 0.000 0.443 124 V N -0.392 119.521 119.914 -0.002 0.000 2.358 124 V HA -0.215 3.906 4.120 0.001 0.000 0.246 124 V C 2.690 178.778 176.094 -0.009 0.000 1.047 124 V CA 2.376 64.672 62.300 -0.005 0.000 1.035 124 V CB -1.433 30.384 31.823 -0.010 0.000 0.658 124 V HN 0.579 nan 8.190 nan 0.000 0.452 125 T N 0.642 115.190 114.554 -0.010 0.000 2.653 125 T HA -0.276 4.075 4.350 0.001 0.000 0.268 125 T C 2.020 176.716 174.700 -0.006 0.000 1.035 125 T CA 2.068 64.161 62.100 -0.011 0.000 1.154 125 T CB -0.441 68.421 68.868 -0.009 0.000 0.862 125 T HN 0.602 nan 8.240 nan 0.000 0.441 126 A N 1.202 124.020 122.820 -0.003 0.000 1.854 126 A HA 0.304 4.625 4.320 0.001 0.000 0.214 126 A C 2.675 180.260 177.584 0.002 0.000 1.192 126 A CA 1.666 53.703 52.037 0.000 0.000 0.611 126 A CB -1.195 17.806 19.000 0.002 0.000 0.832 126 A HN 0.500 nan 8.150 nan 0.000 0.442 127 A N -0.421 122.400 122.820 0.002 0.000 1.940 127 A HA -0.030 4.291 4.320 0.001 0.000 0.219 127 A C 2.199 179.785 177.584 0.003 0.000 1.176 127 A CA 1.860 53.900 52.037 0.005 0.000 0.631 127 A CB -0.984 18.020 19.000 0.006 0.000 0.814 127 A HN 0.414 nan 8.150 nan 0.000 0.446 128 V N 0.139 120.051 119.914 -0.002 0.000 2.332 128 V HA -0.237 3.884 4.120 0.001 0.000 0.248 128 V C 2.595 178.688 176.094 -0.001 0.000 1.055 128 V CA 2.174 64.471 62.300 -0.004 0.000 1.038 128 V CB -0.769 31.046 31.823 -0.013 0.000 0.651 128 V HN 0.482 nan 8.190 nan 0.000 0.450 129 E N 0.181 120.380 120.200 -0.001 0.000 2.012 129 E HA -0.205 4.146 4.350 0.001 0.000 0.197 129 E C 2.307 178.910 176.600 0.005 0.000 1.007 129 E CA 1.287 57.688 56.400 0.002 0.000 0.816 129 E CB -0.555 29.146 29.700 0.002 0.000 0.762 129 E HN 0.554 nan 8.360 nan 0.000 0.451 130 E N 0.335 120.539 120.200 0.007 0.000 2.147 130 E HA -0.210 4.141 4.350 0.001 0.000 0.199 130 E C 2.258 178.865 176.600 0.013 0.000 1.005 130 E CA 0.668 57.074 56.400 0.010 0.000 0.810 130 E CB -0.351 29.356 29.700 0.012 0.000 0.736 130 E HN 0.129 nan 8.360 nan 0.000 0.460 131 L N 1.223 122.452 121.223 0.011 0.000 2.046 131 L HA -0.173 4.168 4.340 0.001 0.000 0.208 131 L C 2.194 179.071 176.870 0.012 0.000 1.077 131 L CA 1.641 56.489 54.840 0.013 0.000 0.747 131 L CB -0.207 41.859 42.059 0.011 0.000 0.896 131 L HN -0.004 nan 8.230 nan 0.000 0.432 132 K N -1.148 119.258 120.400 0.009 0.000 2.209 132 K HA -0.105 4.216 4.320 0.001 0.000 0.204 132 K C 2.006 178.613 176.600 0.011 0.000 1.048 132 K CA 1.041 57.334 56.287 0.009 0.000 0.940 132 K CB -0.207 32.297 32.500 0.006 0.000 0.729 132 K HN 0.391 nan 8.250 nan 0.000 0.451 133 A N 1.199 124.026 122.820 0.011 0.000 1.874 133 A HA -0.077 4.244 4.320 0.001 0.000 0.214 133 A C 2.048 179.641 177.584 0.015 0.000 1.189 133 A CA 0.759 52.803 52.037 0.012 0.000 0.615 133 A CB -0.375 18.632 19.000 0.012 0.000 0.830 133 A HN 0.237 nan 8.150 nan 0.000 0.443 134 L N 0.261 121.494 121.223 0.018 0.000 2.156 134 L HA 0.098 4.438 4.340 0.001 0.000 0.208 134 L C 1.369 178.252 176.870 0.022 0.000 1.095 134 L CA 1.303 56.157 54.840 0.022 0.000 0.770 134 L CB -0.604 41.471 42.059 0.026 0.000 0.914 134 L HN 0.236 nan 8.230 nan 0.000 0.439 135 S N 0.126 115.838 115.700 0.019 0.000 3.225 135 S HA -0.031 4.440 4.470 0.001 0.000 0.378 135 S C 0.057 174.667 174.600 0.017 0.000 1.190 135 S CA -0.276 57.935 58.200 0.018 0.000 1.104 135 S CB -0.521 62.688 63.200 0.015 0.000 0.795 135 S HN 0.157 nan 8.310 nan 0.000 0.517 136 V N 9.865 129.790 119.914 0.018 0.000 2.427 136 V HA 0.251 4.372 4.120 0.001 0.000 0.268 136 V C -1.712 174.390 176.094 0.015 0.000 1.046 136 V CA -1.608 60.703 62.300 0.017 0.000 0.970 136 V CB 0.605 32.439 31.823 0.019 0.000 1.001 136 V HN 0.737 nan 8.190 nan 0.000 0.476 137 P HA 0.110 nan 4.420 nan 0.000 0.269 137 P C -0.556 176.751 177.300 0.012 0.000 1.217 137 P CA -0.135 62.972 63.100 0.012 0.000 0.783 137 P CB 0.372 32.078 31.700 0.010 0.000 0.898 138 C N 1.579 120.885 119.300 0.011 0.000 2.781 138 C HA 0.596 5.057 4.460 0.001 0.000 0.348 138 C C 0.929 175.925 174.990 0.009 0.000 1.051 138 C CA 0.380 59.404 59.018 0.010 0.000 1.347 138 C CB -0.403 27.344 27.740 0.011 0.000 1.846 138 C HN 0.627 nan 8.230 nan 0.000 0.473 139 S N 2.870 118.574 115.700 0.007 0.000 2.882 139 S HA 0.223 4.694 4.470 0.001 0.000 0.258 139 S C 0.229 174.832 174.600 0.005 0.000 1.081 139 S CA 0.598 58.801 58.200 0.006 0.000 0.886 139 S CB -0.060 63.144 63.200 0.006 0.000 0.855 139 S HN 0.946 nan 8.310 nan 0.000 0.467 140 D N 1.039 121.442 120.400 0.005 0.000 2.348 140 D HA 0.374 5.015 4.640 0.001 0.000 0.249 140 D C 0.841 177.143 176.300 0.003 0.000 1.110 140 D CA -0.287 53.715 54.000 0.004 0.000 0.967 140 D CB 0.988 41.791 40.800 0.004 0.000 1.139 140 D HN 0.058 nan 8.370 nan 0.000 0.466 141 S N -0.317 115.385 115.700 0.002 0.000 2.400 141 S HA -0.190 4.281 4.470 0.001 0.000 0.232 141 S C 1.601 176.203 174.600 0.002 0.000 1.025 141 S CA 1.347 59.548 58.200 0.002 0.000 0.993 141 S CB -0.276 62.925 63.200 0.001 0.000 0.808 141 S HN 0.585 nan 8.310 nan 0.000 0.478 142 K N 0.920 121.322 120.400 0.003 0.000 2.063 142 K HA -0.059 4.261 4.320 0.001 0.000 0.208 142 K C 2.049 178.652 176.600 0.004 0.000 1.048 142 K CA 1.324 57.614 56.287 0.003 0.000 0.928 142 K CB -0.301 32.201 32.500 0.004 0.000 0.713 142 K HN 0.316 nan 8.250 nan 0.000 0.442 143 A N 0.748 123.571 122.820 0.005 0.000 1.930 143 A HA -0.051 4.270 4.320 0.001 0.000 0.215 143 A C 1.906 179.494 177.584 0.006 0.000 1.176 143 A CA 0.796 52.837 52.037 0.006 0.000 0.632 143 A CB -0.372 18.633 19.000 0.007 0.000 0.819 143 A HN 0.201 nan 8.150 nan 0.000 0.445 144 I N 0.505 121.078 120.570 0.005 0.000 2.052 144 I HA -0.299 3.872 4.170 0.001 0.000 0.235 144 I C 3.018 179.138 176.117 0.005 0.000 1.046 144 I CA 1.606 62.909 61.300 0.005 0.000 1.308 144 I CB -1.740 36.262 38.000 0.003 0.000 1.031 144 I HN 0.356 nan 8.210 nan 0.000 0.395 145 A N 0.090 122.912 122.820 0.003 0.000 1.940 145 A HA -0.329 3.992 4.320 0.001 0.000 0.221 145 A C 2.366 179.952 177.584 0.004 0.000 1.190 145 A CA 2.482 54.520 52.037 0.003 0.000 0.647 145 A CB -0.980 18.021 19.000 0.002 0.000 0.821 145 A HN 0.666 nan 8.150 nan 0.000 0.457 146 Q N -0.579 119.224 119.800 0.004 0.000 2.050 146 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 146 Q C 2.046 178.049 176.000 0.005 0.000 0.980 146 Q CA 2.002 57.808 55.803 0.004 0.000 0.840 146 Q CB -0.234 28.506 28.738 0.005 0.000 0.898 146 Q HN 0.400 nan 8.270 nan 0.000 0.424 147 V N 0.694 120.613 119.914 0.007 0.000 2.427 147 V HA -0.189 3.932 4.120 0.001 0.000 0.248 147 V C 2.299 178.398 176.094 0.010 0.000 1.051 147 V CA 1.845 64.150 62.300 0.009 0.000 1.048 147 V CB -0.972 30.858 31.823 0.012 0.000 0.666 147 V HN 0.647 nan 8.190 nan 0.000 0.456 148 G N 0.110 108.915 108.800 0.009 0.000 2.514 148 G HA2 -0.384 3.577 3.960 0.001 0.000 0.217 148 G HA3 -0.384 3.577 3.960 0.001 0.000 0.217 148 G C 1.811 176.715 174.900 0.007 0.000 1.198 148 G CA 2.010 47.115 45.100 0.009 0.000 0.780 148 G HN 0.562 nan 8.290 nan 0.000 0.565 149 T N -0.403 114.154 114.554 0.004 0.000 2.788 149 T HA -0.045 4.306 4.350 0.001 0.000 0.268 149 T C 2.411 177.112 174.700 0.002 0.000 1.044 149 T CA 1.365 63.467 62.100 0.003 0.000 1.139 149 T CB -0.277 68.592 68.868 0.001 0.000 0.867 149 T HN 0.174 nan 8.240 nan 0.000 0.454 150 I N 1.109 121.680 120.570 0.002 0.000 2.493 150 I HA -0.066 4.105 4.170 0.001 0.000 0.254 150 I C 2.922 179.039 176.117 -0.000 0.000 1.160 150 I CA 0.974 62.273 61.300 -0.001 0.000 1.445 150 I CB -0.231 37.769 38.000 -0.001 0.000 1.086 150 I HN 0.293 nan 8.210 nan 0.000 0.433 151 S N -0.117 115.586 115.700 0.005 0.000 2.425 151 S HA 0.104 4.575 4.470 0.001 0.000 0.225 151 S C 1.921 176.526 174.600 0.007 0.000 1.024 151 S CA 0.832 59.037 58.200 0.007 0.000 0.951 151 S CB -0.049 63.160 63.200 0.015 0.000 0.796 151 S HN 0.436 nan 8.310 nan 0.000 0.498 152 A N 1.819 124.643 122.820 0.007 0.000 2.291 152 A HA 0.252 4.573 4.320 0.001 0.000 0.220 152 A C 0.473 178.058 177.584 0.001 0.000 1.262 152 A CA 0.021 52.061 52.037 0.005 0.000 0.867 152 A CB -0.903 18.100 19.000 0.006 0.000 0.888 152 A HN 0.753 nan 8.150 nan 0.000 0.487 153 N N 0.228 118.927 118.700 -0.002 0.000 2.422 153 N HA -0.194 4.547 4.740 0.001 0.000 0.289 153 N C -0.153 175.354 175.510 -0.005 0.000 1.385 153 N CA 0.442 53.488 53.050 -0.006 0.000 0.639 153 N CB -0.998 37.485 38.487 -0.007 0.000 0.914 153 N HN 0.456 nan 8.380 nan 0.000 0.516 154 S N 1.141 116.838 115.700 -0.006 0.000 3.367 154 S HA -0.216 4.255 4.470 0.001 0.000 0.375 154 S C -0.272 174.325 174.600 -0.004 0.000 0.962 154 S CA 1.223 59.419 58.200 -0.006 0.000 1.229 154 S CB -0.615 62.580 63.200 -0.008 0.000 0.905 154 S HN 0.694 nan 8.310 nan 0.000 0.482 155 D N 0.310 120.709 120.400 -0.002 0.000 2.432 155 D HA 0.306 4.947 4.640 0.001 0.000 0.265 155 D C 0.945 177.245 176.300 -0.001 0.000 1.160 155 D CA -0.591 53.409 54.000 -0.001 0.000 0.911 155 D CB 0.476 41.276 40.800 -0.001 0.000 1.052 155 D HN 0.367 nan 8.370 nan 0.000 0.508 156 E N 0.192 120.391 120.200 -0.001 0.000 2.147 156 E HA -0.244 4.107 4.350 0.001 0.000 0.199 156 E C 1.765 178.365 176.600 -0.000 0.000 1.005 156 E CA 1.904 58.304 56.400 -0.000 0.000 0.810 156 E CB 0.247 29.947 29.700 -0.001 0.000 0.736 156 E HN 0.588 nan 8.360 nan 0.000 0.460 157 T N -1.582 112.971 114.554 -0.001 0.000 2.881 157 T HA -0.107 4.244 4.350 0.001 0.000 0.270 157 T C 1.930 176.630 174.700 -0.000 0.000 1.068 157 T CA 1.151 63.251 62.100 -0.001 0.000 1.131 157 T CB -0.283 68.584 68.868 -0.001 0.000 0.871 157 T HN -0.032 nan 8.240 nan 0.000 0.479 158 V N 1.792 121.706 119.914 0.000 0.000 2.255 158 V HA 0.101 4.222 4.120 0.001 0.000 0.243 158 V C 3.149 179.243 176.094 0.001 0.000 1.038 158 V CA 1.729 64.030 62.300 0.001 0.000 1.008 158 V CB -1.523 30.302 31.823 0.003 0.000 0.645 158 V HN 0.641 nan 8.190 nan 0.000 0.449 159 G N -0.374 108.427 108.800 0.002 0.000 2.529 159 G HA2 -0.380 3.580 3.960 0.001 0.000 0.219 159 G HA3 -0.380 3.580 3.960 0.001 0.000 0.219 159 G C 1.635 176.536 174.900 0.001 0.000 1.177 159 G CA 1.418 46.520 45.100 0.002 0.000 0.773 159 G HN 0.439 nan 8.290 nan 0.000 0.573 160 K N -0.663 119.737 120.400 0.000 0.000 2.052 160 K HA -0.184 4.137 4.320 0.001 0.000 0.215 160 K C 2.525 179.124 176.600 -0.002 0.000 1.053 160 K CA 1.612 57.899 56.287 -0.001 0.000 0.934 160 K CB -0.281 32.219 32.500 -0.001 0.000 0.717 160 K HN 0.235 nan 8.250 nan 0.000 0.450 161 L N 1.015 122.237 121.223 -0.002 0.000 2.027 161 L HA -0.126 4.215 4.340 0.001 0.000 0.206 161 L C 2.250 179.118 176.870 -0.005 0.000 1.074 161 L CA 1.409 56.247 54.840 -0.004 0.000 0.745 161 L CB -0.615 41.441 42.059 -0.004 0.000 0.898 161 L HN 0.248 nan 8.230 nan 0.000 0.433 162 I N -0.650 119.917 120.570 -0.004 0.000 2.118 162 I HA -0.374 3.797 4.170 0.001 0.000 0.241 162 I C 2.541 178.655 176.117 -0.005 0.000 1.070 162 I CA 1.499 62.795 61.300 -0.006 0.000 1.327 162 I CB -0.490 37.508 38.000 -0.003 0.000 1.034 162 I HN 0.251 nan 8.210 nan 0.000 0.405 163 A N -0.151 122.668 122.820 -0.003 0.000 1.978 163 A HA -0.246 4.074 4.320 0.001 0.000 0.220 163 A C 2.193 179.775 177.584 -0.003 0.000 1.170 163 A CA 1.842 53.878 52.037 -0.002 0.000 0.636 163 A CB -0.564 18.436 19.000 -0.001 0.000 0.810 163 A HN 0.495 nan 8.150 nan 0.000 0.448 164 E N -0.673 119.525 120.200 -0.004 0.000 2.112 164 E HA 0.028 4.379 4.350 0.001 0.000 0.190 164 E C 2.308 178.905 176.600 -0.006 0.000 0.979 164 E CA 0.686 57.084 56.400 -0.004 0.000 0.814 164 E CB -0.183 29.515 29.700 -0.004 0.000 0.762 164 E HN 0.616 nan 8.360 nan 0.000 0.460 165 A N 1.023 123.838 122.820 -0.007 0.000 1.898 165 A HA -0.159 4.162 4.320 0.001 0.000 0.216 165 A C 2.138 179.716 177.584 -0.009 0.000 1.181 165 A CA 1.148 53.180 52.037 -0.009 0.000 0.620 165 A CB -0.382 18.611 19.000 -0.012 0.000 0.819 165 A HN 0.137 nan 8.150 nan 0.000 0.442 166 M N -0.937 118.658 119.600 -0.009 0.000 2.213 166 M HA -0.148 4.333 4.480 0.001 0.000 0.263 166 M C 1.730 178.027 176.300 -0.006 0.000 1.062 166 M CA 1.832 57.127 55.300 -0.008 0.000 1.105 166 M CB -0.696 31.900 32.600 -0.007 0.000 1.385 166 M HN 0.381 nan 8.290 nan 0.000 0.417 167 D N 0.792 121.189 120.400 -0.005 0.000 2.149 167 D HA -0.124 4.517 4.640 0.001 0.000 0.198 167 D C 2.003 178.300 176.300 -0.004 0.000 0.990 167 D CA 1.207 55.205 54.000 -0.004 0.000 0.839 167 D CB 0.237 41.035 40.800 -0.003 0.000 0.948 167 D HN 0.222 nan 8.370 nan 0.000 0.460 168 K N -0.823 119.574 120.400 -0.005 0.000 2.202 168 K HA 0.100 4.420 4.320 0.001 0.000 0.201 168 K C 1.359 177.955 176.600 -0.006 0.000 1.051 168 K CA 0.264 56.548 56.287 -0.005 0.000 0.977 168 K CB 0.601 33.097 32.500 -0.006 0.000 0.792 168 K HN 0.031 nan 8.250 nan 0.000 0.469 169 V N 0.398 120.308 119.914 -0.007 0.000 3.528 169 V HA 0.238 4.358 4.120 0.001 0.000 0.294 169 V C -0.139 175.951 176.094 -0.007 0.000 1.404 169 V CA 0.677 62.973 62.300 -0.007 0.000 1.065 169 V CB 0.224 32.042 31.823 -0.008 0.000 0.904 169 V HN 0.540 nan 8.190 nan 0.000 0.435 170 G N 0.677 109.474 108.800 -0.006 0.000 2.663 170 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 170 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 170 G C 0.053 174.949 174.900 -0.006 0.000 1.246 170 G CA 0.003 45.099 45.100 -0.005 0.000 0.795 170 G HN 0.299 nan 8.290 nan 0.000 0.627 171 K N 0.054 120.451 120.400 -0.005 0.000 2.280 171 K HA -0.059 4.262 4.320 0.001 0.000 0.202 171 K C 2.050 178.646 176.600 -0.006 0.000 1.047 171 K CA 1.681 57.965 56.287 -0.005 0.000 0.942 171 K CB 0.045 32.544 32.500 -0.002 0.000 0.739 171 K HN 0.407 nan 8.250 nan 0.000 0.457 172 E N 0.579 120.775 120.200 -0.005 0.000 2.158 172 E HA 0.007 4.358 4.350 0.001 0.000 0.191 172 E C 0.767 177.361 176.600 -0.009 0.000 0.982 172 E CA 0.305 56.701 56.400 -0.006 0.000 0.823 172 E CB -0.302 29.396 29.700 -0.003 0.000 0.766 172 E HN 0.311 nan 8.360 nan 0.000 0.468 173 G N 0.446 109.240 108.800 -0.010 0.000 2.474 173 G HA2 0.115 4.075 3.960 0.001 0.000 0.233 173 G HA3 0.115 4.075 3.960 0.001 0.000 0.233 173 G C -0.043 174.846 174.900 -0.018 0.000 1.278 173 G CA -0.353 44.740 45.100 -0.011 0.000 0.861 173 G HN 0.027 nan 8.290 nan 0.000 0.567 174 V N 2.392 122.296 119.914 -0.016 0.000 2.529 174 V HA 0.225 4.345 4.120 0.001 0.000 0.292 174 V C 0.545 176.621 176.094 -0.029 0.000 1.028 174 V CA 0.349 62.634 62.300 -0.025 0.000 1.074 174 V CB 0.229 32.041 31.823 -0.017 0.000 0.958 174 V HN 0.475 nan 8.190 nan 0.000 0.481 175 I N 4.804 125.349 120.570 -0.041 0.000 2.447 175 I HA 0.539 4.710 4.170 0.001 0.000 0.287 175 I C 0.261 176.350 176.117 -0.048 0.000 1.023 175 I CA -0.246 61.030 61.300 -0.040 0.000 1.083 175 I CB 2.242 40.218 38.000 -0.040 0.000 1.245 175 I HN 0.771 nan 8.210 nan 0.000 0.434 176 T N 2.390 116.922 114.554 -0.037 0.000 2.927 176 T HA 0.830 5.180 4.350 0.001 0.000 0.286 176 T C -0.587 174.097 174.700 -0.026 0.000 1.040 176 T CA -0.848 61.230 62.100 -0.036 0.000 1.010 176 T CB 2.171 71.021 68.868 -0.031 0.000 1.177 176 T HN 0.199 nan 8.240 nan 0.000 0.546 177 V N 0.913 120.815 119.914 -0.021 0.000 2.577 177 V HA 0.548 4.668 4.120 0.001 0.000 0.303 177 V C -0.340 175.748 176.094 -0.010 0.000 1.042 177 V CA -0.768 61.524 62.300 -0.013 0.000 0.872 177 V CB 1.519 33.337 31.823 -0.009 0.000 0.998 177 V HN 0.981 nan 8.190 nan 0.000 0.423 178 E N 1.452 121.647 120.200 -0.009 0.000 2.316 178 E HA 0.440 4.790 4.350 0.001 0.000 0.258 178 E C -1.398 175.199 176.600 -0.005 0.000 0.952 178 E CA -1.018 55.377 56.400 -0.008 0.000 0.818 178 E CB 1.636 31.330 29.700 -0.010 0.000 1.260 178 E HN 0.661 nan 8.360 nan 0.000 0.416 179 D N 0.665 121.062 120.400 -0.005 0.000 2.371 179 D HA 0.222 4.863 4.640 0.001 0.000 0.256 179 D C -0.038 176.259 176.300 -0.005 0.000 1.193 179 D CA 0.276 54.273 54.000 -0.004 0.000 0.881 179 D CB 0.926 41.724 40.800 -0.004 0.000 1.143 179 D HN 0.436 nan 8.370 nan 0.000 0.473 180 G N 0.735 109.533 108.800 -0.004 0.000 2.569 180 G HA2 0.318 4.279 3.960 0.001 0.000 0.249 180 G HA3 0.318 4.279 3.960 0.001 0.000 0.249 180 G C 0.939 175.836 174.900 -0.004 0.000 1.216 180 G CA -0.317 44.780 45.100 -0.004 0.000 0.845 180 G HN 0.507 nan 8.290 nan 0.000 0.568 181 T N -1.768 112.783 114.554 -0.005 0.000 2.971 181 T HA 0.393 4.744 4.350 0.001 0.000 0.252 181 T C 1.166 175.864 174.700 -0.004 0.000 1.022 181 T CA 0.638 62.735 62.100 -0.005 0.000 0.980 181 T CB 0.558 69.423 68.868 -0.005 0.000 1.044 181 T HN 0.780 nan 8.240 nan 0.000 0.501 182 G N 1.226 110.024 108.800 -0.004 0.000 3.008 182 G HA2 0.543 4.503 3.960 0.001 0.000 0.181 182 G HA3 0.543 4.503 3.960 0.001 0.000 0.181 182 G C 0.239 175.137 174.900 -0.003 0.000 1.309 182 G CA -0.316 44.782 45.100 -0.003 0.000 1.009 182 G HN 0.216 nan 8.290 nan 0.000 0.584 183 L N -0.944 120.277 121.223 -0.002 0.000 2.416 183 L HA 0.351 4.692 4.340 0.001 0.000 0.216 183 L C 0.711 177.579 176.870 -0.002 0.000 1.098 183 L CA 0.515 55.353 54.840 -0.002 0.000 0.840 183 L CB -0.272 41.786 42.059 -0.002 0.000 0.981 183 L HN 0.232 nan 8.230 nan 0.000 0.462 184 Q N 1.884 121.682 119.800 -0.003 0.000 2.286 184 Q HA 0.171 4.511 4.340 0.001 0.000 0.257 184 Q C -0.850 175.148 176.000 -0.003 0.000 0.941 184 Q CA -0.152 55.649 55.803 -0.003 0.000 0.912 184 Q CB 0.789 29.525 28.738 -0.003 0.000 1.192 184 Q HN 0.334 nan 8.270 nan 0.000 0.410 185 D N 2.538 122.936 120.400 -0.003 0.000 2.351 185 D HA 0.133 4.774 4.640 0.001 0.000 0.251 185 D C -0.115 176.182 176.300 -0.004 0.000 1.137 185 D CA 0.269 54.267 54.000 -0.003 0.000 0.879 185 D CB 1.097 41.895 40.800 -0.003 0.000 1.181 185 D HN 0.372 nan 8.370 nan 0.000 0.448 186 E N 0.586 120.783 120.200 -0.005 0.000 2.264 186 E HA 0.633 4.984 4.350 0.001 0.000 0.260 186 E C -0.604 175.992 176.600 -0.006 0.000 0.961 186 E CA -0.909 55.488 56.400 -0.005 0.000 0.834 186 E CB 2.345 32.042 29.700 -0.006 0.000 1.230 186 E HN 0.197 nan 8.360 nan 0.000 0.412 187 L N 2.193 123.412 121.223 -0.006 0.000 2.563 187 L HA 0.332 4.673 4.340 0.001 0.000 0.259 187 L C -1.628 175.237 176.870 -0.007 0.000 1.034 187 L CA -0.424 54.411 54.840 -0.007 0.000 0.899 187 L CB 0.656 42.711 42.059 -0.007 0.000 1.159 187 L HN 0.526 nan 8.230 nan 0.000 0.456 188 D N 3.230 123.625 120.400 -0.008 0.000 2.277 188 D HA 0.483 5.124 4.640 0.001 0.000 0.250 188 D C -0.333 175.962 176.300 -0.008 0.000 1.032 188 D CA -0.254 53.741 54.000 -0.008 0.000 0.947 188 D CB 2.825 43.621 40.800 -0.008 0.000 1.159 188 D HN 0.274 nan 8.370 nan 0.000 0.460 189 V N -1.217 118.693 119.914 -0.007 0.000 2.513 189 V HA 0.768 4.889 4.120 0.001 0.000 0.299 189 V C -0.131 175.959 176.094 -0.006 0.000 1.035 189 V CA -0.719 61.577 62.300 -0.007 0.000 0.889 189 V CB 1.632 33.452 31.823 -0.006 0.000 0.988 189 V HN 0.342 nan 8.190 nan 0.000 0.440 190 V N 1.792 121.702 119.914 -0.006 0.000 3.147 190 V HA 0.500 4.621 4.120 0.001 0.000 0.306 190 V C -0.735 175.357 176.094 -0.003 0.000 1.209 190 V CA -0.567 61.729 62.300 -0.006 0.000 1.023 190 V CB 2.539 34.357 31.823 -0.007 0.000 1.059 190 V HN 1.042 nan 8.190 nan 0.000 0.435 191 E N 3.113 123.311 120.200 -0.003 0.000 2.238 191 E HA 0.456 4.807 4.350 0.001 0.000 0.264 191 E C 0.182 176.784 176.600 0.004 0.000 1.136 191 E CA 0.597 56.997 56.400 0.000 0.000 0.929 191 E CB 0.689 30.389 29.700 -0.001 0.000 1.010 191 E HN 0.936 nan 8.360 nan 0.000 0.440 192 G N 1.636 110.442 108.800 0.009 0.000 2.682 192 G HA2 0.685 4.646 3.960 0.001 0.000 0.303 192 G HA3 0.685 4.646 3.960 0.001 0.000 0.303 192 G C -1.105 173.813 174.900 0.030 0.000 1.341 192 G CA -0.607 44.504 45.100 0.018 0.000 0.784 192 G HN 0.375 nan 8.290 nan 0.000 0.497 193 M N -0.272 119.357 119.600 0.048 0.000 2.755 193 M HA 0.472 4.953 4.480 0.001 0.000 0.276 193 M C -2.381 173.981 176.300 0.103 0.000 1.129 193 M CA -0.605 54.743 55.300 0.080 0.000 0.832 193 M CB 2.440 35.105 32.600 0.109 0.000 1.700 193 M HN 0.772 nan 8.290 nan 0.000 0.518 194 Q N 3.081 122.955 119.800 0.124 0.000 2.340 194 Q HA 0.692 5.033 4.340 0.001 0.000 0.276 194 Q C -2.279 173.819 176.000 0.163 0.000 1.048 194 Q CA -0.591 55.253 55.803 0.067 0.000 0.832 194 Q CB 2.482 31.203 28.738 -0.028 0.000 1.373 194 Q HN 0.603 nan 8.270 nan 0.000 0.409 195 F N -0.317 119.627 119.950 -0.010 0.000 2.643 195 F HA 0.511 5.038 4.527 0.001 0.000 0.314 195 F C -0.706 175.090 175.800 -0.007 0.000 1.096 195 F CA -1.150 56.847 58.000 -0.006 0.000 0.953 195 F CB 1.151 40.149 39.000 -0.003 0.000 1.345 195 F HN 0.331 nan 8.300 nan 0.000 0.468 196 D N 2.754 123.257 120.400 0.171 0.000 2.801 196 D HA 0.155 4.796 4.640 0.001 0.000 0.232 196 D C -0.294 176.039 176.300 0.056 0.000 1.128 196 D CA 0.247 54.278 54.000 0.052 0.000 1.003 196 D CB -0.001 40.839 40.800 0.068 0.000 1.110 196 D HN 0.269 nan 8.370 nan 0.000 0.477 197 R N 0.077 120.558 120.500 -0.031 0.000 2.628 197 R HA 0.559 4.900 4.340 0.001 0.000 0.288 197 R C 0.290 176.512 176.300 -0.130 0.000 0.980 197 R CA -0.739 55.361 56.100 0.001 0.000 0.891 197 R CB 2.343 32.764 30.300 0.201 0.000 1.188 197 R HN 0.128 nan 8.270 nan 0.000 0.450 198 G N 1.198 109.915 108.800 -0.138 0.000 2.491 198 G HA2 0.432 4.393 3.960 0.001 0.000 0.327 198 G HA3 0.432 4.393 3.960 0.001 0.000 0.327 198 G C -0.540 174.253 174.900 -0.178 0.000 1.189 198 G CA -0.590 44.340 45.100 -0.284 0.000 0.956 198 G HN 0.462 nan 8.290 nan 0.000 0.491 199 Y N -1.037 119.285 120.300 0.037 0.000 2.861 199 Y HA 0.126 4.677 4.550 0.001 0.000 0.344 199 Y C 1.126 177.119 175.900 0.155 0.000 1.272 199 Y CA -0.658 57.502 58.100 0.099 0.000 1.502 199 Y CB 0.302 38.884 38.460 0.203 0.000 1.333 199 Y HN 0.201 nan 8.280 nan 0.000 0.634 200 L N 1.479 122.991 121.223 0.481 0.000 2.558 200 L HA 0.143 4.484 4.340 0.001 0.000 0.225 200 L C 0.572 177.721 176.870 0.464 0.000 1.128 200 L CA 0.833 55.915 54.840 0.404 0.000 0.868 200 L CB -0.118 42.129 42.059 0.313 0.000 1.006 200 L HN 0.816 nan 8.230 nan 0.000 0.454 201 S N -1.142 114.905 115.700 0.579 0.000 2.563 201 S HA 0.344 4.814 4.470 0.001 0.000 0.279 201 S C -2.523 171.952 174.600 -0.208 0.000 1.155 201 S CA -0.909 57.375 58.200 0.139 0.000 0.928 201 S CB 1.777 64.945 63.200 -0.054 0.000 1.107 201 S HN -0.241 nan 8.310 nan 0.000 0.462 202 P HA 0.046 nan 4.420 nan 0.000 0.249 202 P C -0.088 176.788 177.300 -0.706 0.000 1.227 202 P CA 0.673 63.341 63.100 -0.720 0.000 0.753 202 P CB -0.394 31.024 31.700 -0.471 0.000 0.966 203 Y N -2.710 117.294 120.300 -0.493 0.000 2.503 203 Y HA 0.150 4.701 4.550 0.001 0.000 0.277 203 Y C 1.758 177.403 175.900 -0.425 0.000 1.102 203 Y CA 0.231 58.055 58.100 -0.459 0.000 1.261 203 Y CB -0.826 37.334 38.460 -0.500 0.000 1.096 203 Y HN -0.095 nan 8.280 nan 0.000 0.546 204 F N 0.223 120.152 119.950 -0.036 0.000 2.546 204 F HA -0.035 4.493 4.527 0.001 0.000 0.298 204 F C 0.863 176.620 175.800 -0.073 0.000 1.120 204 F CA -0.043 57.937 58.000 -0.033 0.000 1.456 204 F CB -1.035 37.958 39.000 -0.011 0.000 1.088 204 F HN -0.178 nan 8.300 nan 0.000 0.572 205 I N 2.972 123.520 120.570 -0.037 0.000 2.845 205 I HA -0.195 3.976 4.170 0.001 0.000 0.290 205 I C 0.864 176.980 176.117 -0.002 0.000 1.202 205 I CA 0.315 61.581 61.300 -0.057 0.000 1.406 205 I CB 0.082 37.988 38.000 -0.156 0.000 1.383 205 I HN 0.249 nan 8.210 nan 0.000 0.549 206 N N 5.523 124.237 118.700 0.024 0.000 2.322 206 N HA 0.009 4.750 4.740 0.001 0.000 0.181 206 N C -0.008 175.509 175.510 0.012 0.000 1.088 206 N CA 0.208 53.272 53.050 0.022 0.000 0.885 206 N CB 0.301 38.808 38.487 0.033 0.000 1.013 206 N HN 0.432 nan 8.380 nan 0.000 0.472 207 K N 1.332 121.739 120.400 0.012 0.000 2.484 207 K HA 0.271 4.592 4.320 0.001 0.000 0.226 207 K C -2.052 174.552 176.600 0.006 0.000 1.031 207 K CA -1.817 54.475 56.287 0.010 0.000 1.026 207 K CB 1.995 34.504 32.500 0.015 0.000 1.412 207 K HN 0.025 nan 8.250 nan 0.000 0.492 208 P HA -0.154 nan 4.420 nan 0.000 0.226 208 P C 0.380 177.679 177.300 -0.001 0.000 1.146 208 P CA 1.022 64.117 63.100 -0.010 0.000 0.773 208 P CB 0.523 32.213 31.700 -0.017 0.000 0.772 209 E N 0.097 120.299 120.200 0.004 0.000 2.017 209 E HA -0.106 4.245 4.350 0.001 0.000 0.193 209 E C 1.830 178.438 176.600 0.013 0.000 0.997 209 E CA 1.937 58.341 56.400 0.006 0.000 0.804 209 E CB -1.183 28.521 29.700 0.007 0.000 0.757 209 E HN 0.242 nan 8.360 nan 0.000 0.448 210 T N -1.040 113.528 114.554 0.024 0.000 3.113 210 T HA 0.184 4.535 4.350 0.001 0.000 0.256 210 T C 1.129 175.858 174.700 0.047 0.000 1.131 210 T CA 0.504 62.627 62.100 0.038 0.000 1.074 210 T CB 0.085 68.981 68.868 0.047 0.000 0.944 210 T HN 0.378 nan 8.240 nan 0.000 0.516 211 G N 1.461 110.282 108.800 0.035 0.000 2.295 211 G HA2 0.041 4.002 3.960 0.001 0.000 0.287 211 G HA3 0.041 4.002 3.960 0.001 0.000 0.287 211 G C 0.053 175.009 174.900 0.093 0.000 1.055 211 G CA 0.063 45.188 45.100 0.042 0.000 0.922 211 G HN 0.965 nan 8.290 nan 0.000 0.503 212 A N -1.596 121.270 122.820 0.077 0.000 2.530 212 A HA 0.933 5.254 4.320 0.001 0.000 0.288 212 A C -0.446 177.186 177.584 0.080 0.000 1.172 212 A CA -0.273 51.836 52.037 0.120 0.000 0.733 212 A CB 1.930 20.989 19.000 0.099 0.000 1.320 212 A HN 1.249 nan 8.150 nan 0.000 0.419 213 V N 0.846 120.824 119.914 0.105 0.000 2.459 213 V HA 0.558 4.679 4.120 0.001 0.000 0.295 213 V C -0.192 175.934 176.094 0.053 0.000 1.029 213 V CA -0.320 62.029 62.300 0.081 0.000 0.874 213 V CB 1.374 33.264 31.823 0.111 0.000 0.985 213 V HN 0.892 nan 8.190 nan 0.000 0.438 214 E N 4.545 124.767 120.200 0.037 0.000 2.216 214 E HA 0.628 4.978 4.350 0.001 0.000 0.260 214 E C -1.709 174.901 176.600 0.016 0.000 0.880 214 E CA -0.519 55.893 56.400 0.021 0.000 0.765 214 E CB 1.480 31.190 29.700 0.016 0.000 1.174 214 E HN 0.610 nan 8.360 nan 0.000 0.417 215 L N 3.301 124.528 121.223 0.007 0.000 2.346 215 L HA 0.530 4.871 4.340 0.001 0.000 0.274 215 L C -0.255 176.607 176.870 -0.012 0.000 1.007 215 L CA -0.871 53.971 54.840 0.003 0.000 0.818 215 L CB 1.952 44.013 42.059 0.004 0.000 1.284 215 L HN 0.466 nan 8.230 nan 0.000 0.424 216 E N 1.236 121.425 120.200 -0.018 0.000 2.176 216 E HA 0.253 4.603 4.350 0.001 0.000 0.267 216 E C -0.365 176.198 176.600 -0.062 0.000 0.893 216 E CA -0.520 55.860 56.400 -0.034 0.000 0.761 216 E CB 1.812 31.498 29.700 -0.024 0.000 1.133 216 E HN 0.618 nan 8.360 nan 0.000 0.409 217 S N 1.643 117.290 115.700 -0.088 0.000 3.581 217 S HA -0.115 4.355 4.470 0.001 0.000 0.354 217 S C -2.256 172.192 174.600 -0.253 0.000 1.059 217 S CA 0.288 58.396 58.200 -0.153 0.000 1.060 217 S CB -1.049 62.067 63.200 -0.141 0.000 0.908 217 S HN 0.434 nan 8.310 nan 0.000 0.475 218 P HA 0.507 nan 4.420 nan 0.000 0.279 218 P C -0.034 177.120 177.300 -0.242 0.000 1.252 218 P CA -0.614 62.384 63.100 -0.171 0.000 0.811 218 P CB 0.432 32.108 31.700 -0.040 0.000 1.035 219 F N 0.587 120.540 119.950 0.005 0.000 2.375 219 F HA 0.384 4.912 4.527 0.001 0.000 0.333 219 F C 0.967 176.770 175.800 0.005 0.000 1.104 219 F CA -0.218 57.784 58.000 0.004 0.000 1.149 219 F CB 0.386 39.388 39.000 0.003 0.000 1.190 219 F HN 0.039 nan 8.300 nan 0.000 0.533 220 I N 3.626 124.311 120.570 0.191 0.000 2.389 220 I HA 0.246 4.416 4.170 0.001 0.000 0.288 220 I C -1.019 175.154 176.117 0.094 0.000 0.999 220 I CA -0.797 60.570 61.300 0.112 0.000 1.129 220 I CB 1.651 39.697 38.000 0.077 0.000 1.288 220 I HN 0.338 nan 8.210 nan 0.000 0.444 221 L N 8.324 129.588 121.223 0.067 0.000 2.265 221 L HA 0.467 4.807 4.340 0.001 0.000 0.288 221 L C -1.002 175.884 176.870 0.027 0.000 1.058 221 L CA 0.156 55.019 54.840 0.039 0.000 0.809 221 L CB 0.535 42.609 42.059 0.026 0.000 1.179 221 L HN 0.471 nan 8.230 nan 0.000 0.429 222 L N 6.644 127.877 121.223 0.017 0.000 2.313 222 L HA 0.698 5.039 4.340 0.001 0.000 0.273 222 L C -0.228 176.641 176.870 -0.002 0.000 1.028 222 L CA -0.371 54.471 54.840 0.003 0.000 0.871 222 L CB 1.097 43.154 42.059 -0.003 0.000 1.242 222 L HN 0.799 nan 8.230 nan 0.000 0.434 223 A N 1.629 124.448 122.820 -0.001 0.000 2.319 223 A HA 0.446 4.767 4.320 0.001 0.000 0.310 223 A C -0.818 176.765 177.584 -0.002 0.000 1.152 223 A CA -0.522 51.515 52.037 -0.000 0.000 0.783 223 A CB 1.073 20.076 19.000 0.005 0.000 1.184 223 A HN 0.604 nan 8.150 nan 0.000 0.474 224 D N 2.453 122.851 120.400 -0.004 0.000 2.494 224 D HA 0.456 5.097 4.640 0.001 0.000 0.217 224 D C -0.149 176.153 176.300 0.004 0.000 1.153 224 D CA 0.290 54.289 54.000 -0.003 0.000 0.954 224 D CB -0.360 40.434 40.800 -0.009 0.000 1.034 224 D HN 0.649 nan 8.370 nan 0.000 0.518 225 K N 0.134 120.540 120.400 0.010 0.000 2.870 225 K HA 0.215 4.535 4.320 0.001 0.000 0.290 225 K C -1.341 175.271 176.600 0.021 0.000 1.070 225 K CA -1.130 55.166 56.287 0.015 0.000 0.843 225 K CB 0.489 32.996 32.500 0.012 0.000 1.475 225 K HN -0.122 nan 8.250 nan 0.000 0.359 226 K N 1.582 121.996 120.400 0.023 0.000 2.322 226 K HA 0.308 4.629 4.320 0.001 0.000 0.283 226 K C -0.484 176.132 176.600 0.027 0.000 1.042 226 K CA -0.213 56.090 56.287 0.028 0.000 0.958 226 K CB 0.495 33.012 32.500 0.029 0.000 0.984 226 K HN 0.359 nan 8.250 nan 0.000 0.473 227 I N 2.721 123.310 120.570 0.031 0.000 2.330 227 I HA 0.043 4.214 4.170 0.001 0.000 0.286 227 I C 0.506 176.644 176.117 0.035 0.000 1.025 227 I CA 0.018 61.337 61.300 0.030 0.000 1.197 227 I CB 1.563 39.581 38.000 0.031 0.000 1.358 227 I HN 0.680 nan 8.210 nan 0.000 0.467 228 S N 3.584 119.301 115.700 0.030 0.000 2.748 228 S HA 0.181 4.651 4.470 0.001 0.000 0.241 228 S C 0.731 175.347 174.600 0.028 0.000 1.064 228 S CA -0.116 58.102 58.200 0.031 0.000 0.892 228 S CB 0.259 63.475 63.200 0.026 0.000 0.810 228 S HN 0.590 nan 8.310 nan 0.000 0.555 229 N N 1.995 120.708 118.700 0.022 0.000 2.514 229 N HA 0.225 4.966 4.740 0.001 0.000 0.277 229 N C 0.370 175.892 175.510 0.020 0.000 1.126 229 N CA -0.050 53.011 53.050 0.019 0.000 0.978 229 N CB 1.346 39.842 38.487 0.014 0.000 1.106 229 N HN 0.145 nan 8.380 nan 0.000 0.461 230 I N 2.268 122.849 120.570 0.019 0.000 2.876 230 I HA -0.085 4.086 4.170 0.001 0.000 0.264 230 I C 1.815 177.939 176.117 0.012 0.000 1.204 230 I CA 0.531 61.843 61.300 0.019 0.000 1.485 230 I CB 0.135 38.148 38.000 0.020 0.000 1.103 230 I HN 0.442 nan 8.210 nan 0.000 0.446 231 R N 0.909 121.414 120.500 0.010 0.000 2.154 231 R HA -0.225 4.116 4.340 0.001 0.000 0.248 231 R C 1.766 178.068 176.300 0.004 0.000 1.155 231 R CA 1.941 58.045 56.100 0.006 0.000 0.979 231 R CB -0.204 30.099 30.300 0.005 0.000 0.869 231 R HN 0.553 nan 8.270 nan 0.000 0.452 232 E N -0.434 119.769 120.200 0.006 0.000 2.285 232 E HA -0.079 4.271 4.350 0.001 0.000 0.194 232 E C 1.755 178.356 176.600 0.002 0.000 0.997 232 E CA 0.600 57.002 56.400 0.004 0.000 0.845 232 E CB 0.098 29.802 29.700 0.006 0.000 0.782 232 E HN 0.229 nan 8.360 nan 0.000 0.491 233 M N 0.367 119.970 119.600 0.005 0.000 2.248 233 M HA 0.024 4.505 4.480 0.001 0.000 0.265 233 M C 2.304 178.602 176.300 -0.003 0.000 1.079 233 M CA 0.931 56.233 55.300 0.003 0.000 1.150 233 M CB -0.713 31.894 32.600 0.012 0.000 1.366 233 M HN 0.138 nan 8.290 nan 0.000 0.433 234 L N 0.761 121.983 121.223 -0.002 0.000 2.054 234 L HA -0.256 4.085 4.340 0.001 0.000 0.220 234 L C -0.294 176.568 176.870 -0.013 0.000 1.081 234 L CA 1.880 56.717 54.840 -0.005 0.000 0.780 234 L CB -2.570 39.487 42.059 -0.003 0.000 0.893 234 L HN 0.199 nan 8.230 nan 0.000 0.438 235 P HA -0.129 nan 4.420 nan 0.000 0.216 235 P C 1.766 179.044 177.300 -0.036 0.000 1.150 235 P CA 1.538 64.624 63.100 -0.024 0.000 0.837 235 P CB 0.051 31.738 31.700 -0.021 0.000 0.786 236 V N 0.117 120.008 119.914 -0.038 0.000 2.379 236 V HA -0.105 4.016 4.120 0.001 0.000 0.243 236 V C 2.812 178.870 176.094 -0.060 0.000 1.035 236 V CA 0.993 63.259 62.300 -0.058 0.000 1.035 236 V CB -1.326 30.468 31.823 -0.050 0.000 0.673 236 V HN -0.035 nan 8.190 nan 0.000 0.457 237 L N -0.034 121.170 121.223 -0.032 0.000 2.263 237 L HA -0.215 4.125 4.340 0.001 0.000 0.216 237 L C 2.402 179.260 176.870 -0.020 0.000 1.111 237 L CA 1.639 56.468 54.840 -0.018 0.000 0.773 237 L CB -0.260 41.800 42.059 0.000 0.000 0.906 237 L HN 0.483 nan 8.230 nan 0.000 0.439 238 E N -1.246 118.937 120.200 -0.029 0.000 2.340 238 E HA 0.038 4.389 4.350 0.001 0.000 0.198 238 E C 2.169 178.744 176.600 -0.042 0.000 0.961 238 E CA 0.565 56.950 56.400 -0.026 0.000 0.905 238 E CB 0.110 29.799 29.700 -0.019 0.000 0.884 238 E HN 0.412 nan 8.360 nan 0.000 0.491 239 A N 0.934 123.714 122.820 -0.066 0.000 2.019 239 A HA -0.103 4.218 4.320 0.001 0.000 0.219 239 A C 2.311 179.812 177.584 -0.138 0.000 1.164 239 A CA 0.948 52.927 52.037 -0.098 0.000 0.644 239 A CB -0.295 18.633 19.000 -0.120 0.000 0.805 239 A HN 0.102 nan 8.150 nan 0.000 0.449 240 V N -0.614 119.219 119.914 -0.135 0.000 2.379 240 V HA -0.090 4.031 4.120 0.001 0.000 0.243 240 V C 2.941 179.033 176.094 -0.004 0.000 1.035 240 V CA 1.490 63.716 62.300 -0.124 0.000 1.035 240 V CB -0.853 30.916 31.823 -0.089 0.000 0.673 240 V HN 0.559 nan 8.190 nan 0.000 0.457 241 A N -0.851 121.970 122.820 0.002 0.000 2.131 241 A HA -0.224 4.097 4.320 0.001 0.000 0.220 241 A C 2.265 179.861 177.584 0.021 0.000 1.158 241 A CA 1.730 53.780 52.037 0.021 0.000 0.665 241 A CB -0.371 18.637 19.000 0.014 0.000 0.795 241 A HN 0.488 nan 8.150 nan 0.000 0.460 242 K N -0.785 119.618 120.400 0.005 0.000 2.067 242 K HA 0.115 4.436 4.320 0.001 0.000 0.203 242 K C 1.976 178.594 176.600 0.030 0.000 1.048 242 K CA 0.831 57.123 56.287 0.008 0.000 0.954 242 K CB -0.149 32.343 32.500 -0.012 0.000 0.737 242 K HN 0.384 nan 8.250 nan 0.000 0.444 243 A N 0.551 123.397 122.820 0.043 0.000 2.239 243 A HA 0.073 4.394 4.320 0.001 0.000 0.209 243 A C 1.196 178.870 177.584 0.149 0.000 1.171 243 A CA 1.054 53.161 52.037 0.117 0.000 0.768 243 A CB -0.727 18.390 19.000 0.194 0.000 0.790 243 A HN 0.510 nan 8.150 nan 0.000 0.478 244 G N -0.790 108.073 108.800 0.106 0.000 2.203 244 G HA2 -0.298 3.663 3.960 0.001 0.000 0.263 244 G HA3 -0.298 3.663 3.960 0.001 0.000 0.263 244 G C 0.176 175.134 174.900 0.098 0.000 1.012 244 G CA 1.026 46.176 45.100 0.084 0.000 0.749 244 G HN 0.636 nan 8.290 nan 0.000 0.512 245 K N 0.387 120.885 120.400 0.164 0.000 2.281 245 K HA 0.587 4.908 4.320 0.001 0.000 0.242 245 K C -2.144 174.549 176.600 0.155 0.000 0.971 245 K CA -2.037 54.335 56.287 0.141 0.000 0.834 245 K CB 2.236 34.810 32.500 0.122 0.000 1.181 245 K HN 0.027 nan 8.250 nan 0.000 0.435 246 P HA 0.183 nan 4.420 nan 0.000 0.275 246 P C -1.254 176.132 177.300 0.142 0.000 1.266 246 P CA -0.500 62.657 63.100 0.094 0.000 0.793 246 P CB 0.563 32.293 31.700 0.049 0.000 1.074 247 L N 0.137 121.425 121.223 0.107 0.000 2.493 247 L HA 0.548 4.889 4.340 0.001 0.000 0.265 247 L C -1.734 175.165 176.870 0.048 0.000 0.954 247 L CA -0.874 54.037 54.840 0.118 0.000 0.844 247 L CB 1.707 43.839 42.059 0.122 0.000 1.302 247 L HN 0.186 nan 8.230 nan 0.000 0.405 248 L N 5.662 126.913 121.223 0.047 0.000 2.295 248 L HA 0.680 5.021 4.340 0.001 0.000 0.285 248 L C -1.113 175.766 176.870 0.014 0.000 1.035 248 L CA -0.264 54.581 54.840 0.008 0.000 0.806 248 L CB 1.236 43.309 42.059 0.023 0.000 1.214 248 L HN 0.518 nan 8.230 nan 0.000 0.426 249 I N 7.066 127.624 120.570 -0.021 0.000 2.307 249 I HA 0.304 4.475 4.170 0.001 0.000 0.289 249 I C -0.266 175.859 176.117 0.014 0.000 1.021 249 I CA -0.221 61.076 61.300 -0.004 0.000 1.224 249 I CB 0.821 38.809 38.000 -0.020 0.000 1.376 249 I HN 0.557 nan 8.210 nan 0.000 0.470 250 I N 5.917 126.508 120.570 0.034 0.000 2.371 250 I HA 0.619 4.790 4.170 0.001 0.000 0.282 250 I C 0.302 176.431 176.117 0.020 0.000 1.031 250 I CA -0.224 61.102 61.300 0.045 0.000 1.180 250 I CB 1.335 39.366 38.000 0.051 0.000 1.336 250 I HN 0.666 nan 8.210 nan 0.000 0.467 251 A N 4.487 127.322 122.820 0.025 0.000 2.483 251 A HA 0.467 4.787 4.320 0.001 0.000 0.286 251 A C 0.789 178.388 177.584 0.026 0.000 1.207 251 A CA -0.534 51.514 52.037 0.019 0.000 0.764 251 A CB 1.452 20.466 19.000 0.023 0.000 1.341 251 A HN 0.694 nan 8.150 nan 0.000 0.428 252 E N -0.742 119.472 120.200 0.024 0.000 2.110 252 E HA -0.125 4.226 4.350 0.001 0.000 0.193 252 E C -0.414 176.213 176.600 0.044 0.000 0.988 252 E CA 1.538 57.957 56.400 0.033 0.000 0.804 252 E CB 0.158 29.876 29.700 0.030 0.000 0.745 252 E HN 0.580 nan 8.360 nan 0.000 0.458 253 D N -2.192 118.234 120.400 0.044 0.000 2.694 253 D HA 0.211 4.851 4.640 0.001 0.000 0.260 253 D C -1.913 174.418 176.300 0.052 0.000 1.250 253 D CA -0.497 53.534 54.000 0.052 0.000 0.763 253 D CB 2.072 42.902 40.800 0.051 0.000 1.311 253 D HN -0.156 nan 8.370 nan 0.000 0.420 254 V N 1.856 121.809 119.914 0.066 0.000 2.482 254 V HA 0.454 4.574 4.120 0.001 0.000 0.295 254 V C -0.369 175.774 176.094 0.082 0.000 1.026 254 V CA -0.627 61.715 62.300 0.071 0.000 0.856 254 V CB 1.714 33.585 31.823 0.080 0.000 1.001 254 V HN 0.404 nan 8.190 nan 0.000 0.424 255 E N 2.335 122.575 120.200 0.067 0.000 2.207 255 E HA 0.598 4.949 4.350 0.001 0.000 0.270 255 E C 1.109 177.744 176.600 0.059 0.000 0.927 255 E CA 0.075 56.511 56.400 0.062 0.000 0.799 255 E CB 2.169 31.897 29.700 0.047 0.000 1.172 255 E HN 0.798 nan 8.360 nan 0.000 0.404 256 G N 2.794 111.628 108.800 0.056 0.000 2.812 256 G HA2 -0.483 3.478 3.960 0.001 0.000 0.366 256 G HA3 -0.483 3.478 3.960 0.001 0.000 0.366 256 G C 1.232 176.159 174.900 0.044 0.000 1.183 256 G CA 1.248 46.375 45.100 0.046 0.000 1.076 256 G HN 0.670 nan 8.290 nan 0.000 0.750 257 E N 1.151 121.372 120.200 0.036 0.000 2.013 257 E HA -0.163 4.187 4.350 0.001 0.000 0.202 257 E C 3.113 179.736 176.600 0.039 0.000 1.018 257 E CA 2.123 58.541 56.400 0.030 0.000 0.834 257 E CB -0.768 28.946 29.700 0.024 0.000 0.770 257 E HN 0.702 nan 8.360 nan 0.000 0.459 258 A N 1.161 124.008 122.820 0.045 0.000 1.908 258 A HA -0.206 4.115 4.320 0.001 0.000 0.218 258 A C 2.291 179.923 177.584 0.080 0.000 1.181 258 A CA 1.725 53.795 52.037 0.054 0.000 0.627 258 A CB -0.784 18.247 19.000 0.051 0.000 0.818 258 A HN 0.348 nan 8.150 nan 0.000 0.445 259 L N -0.190 121.091 121.223 0.097 0.000 1.961 259 L HA -0.081 4.259 4.340 0.001 0.000 0.210 259 L C 2.684 179.623 176.870 0.115 0.000 1.072 259 L CA 2.509 57.437 54.840 0.147 0.000 0.749 259 L CB -0.827 41.321 42.059 0.148 0.000 0.889 259 L HN 0.322 nan 8.230 nan 0.000 0.432 260 A N -1.743 121.115 122.820 0.063 0.000 2.076 260 A HA -0.193 4.128 4.320 0.001 0.000 0.220 260 A C 2.155 179.741 177.584 0.002 0.000 1.160 260 A CA 2.180 54.226 52.037 0.015 0.000 0.653 260 A CB -1.165 17.838 19.000 0.005 0.000 0.801 260 A HN 0.622 nan 8.150 nan 0.000 0.455 261 T N 0.328 114.900 114.554 0.029 0.000 2.732 261 T HA -0.028 4.323 4.350 0.001 0.000 0.261 261 T C 1.823 176.547 174.700 0.041 0.000 1.040 261 T CA 1.335 63.449 62.100 0.024 0.000 1.145 261 T CB -0.383 68.504 68.868 0.031 0.000 0.866 261 T HN 0.381 nan 8.240 nan 0.000 0.427 262 L N 0.960 122.239 121.223 0.094 0.000 2.042 262 L HA -0.103 4.238 4.340 0.001 0.000 0.210 262 L C 2.729 179.690 176.870 0.150 0.000 1.076 262 L CA 0.877 55.811 54.840 0.156 0.000 0.749 262 L CB -0.924 41.286 42.059 0.252 0.000 0.893 262 L HN 0.116 nan 8.230 nan 0.000 0.432 263 V N -0.470 119.486 119.914 0.069 0.000 2.282 263 V HA -0.279 3.841 4.120 0.001 0.000 0.249 263 V C 2.369 178.361 176.094 -0.170 0.000 1.057 263 V CA 1.841 64.045 62.300 -0.159 0.000 1.032 263 V CB -0.381 31.291 31.823 -0.253 0.000 0.645 263 V HN 0.239 nan 8.190 nan 0.000 0.447 264 V N 0.121 119.960 119.914 -0.126 0.000 2.759 264 V HA -0.189 3.932 4.120 0.001 0.000 0.256 264 V C 1.935 177.990 176.094 -0.065 0.000 1.080 264 V CA 1.865 64.092 62.300 -0.121 0.000 1.101 264 V CB -0.957 30.808 31.823 -0.097 0.000 0.698 264 V HN 0.620 nan 8.190 nan 0.000 0.477 265 N N 0.064 118.752 118.700 -0.020 0.000 2.416 265 N HA -0.089 4.651 4.740 0.001 0.000 0.177 265 N C 1.851 177.375 175.510 0.024 0.000 1.036 265 N CA 1.345 54.400 53.050 0.008 0.000 0.901 265 N CB 0.189 38.694 38.487 0.031 0.000 0.976 265 N HN 0.626 nan 8.380 nan 0.000 0.444 266 T N -1.995 112.582 114.554 0.039 0.000 3.060 266 T HA 0.132 4.483 4.350 0.001 0.000 0.249 266 T C 1.630 176.333 174.700 0.005 0.000 1.079 266 T CA -0.031 62.102 62.100 0.055 0.000 1.013 266 T CB 0.185 69.142 68.868 0.148 0.000 0.975 266 T HN -0.093 nan 8.240 nan 0.000 0.518 267 M N 1.534 121.107 119.600 -0.046 0.000 2.193 267 M HA 0.319 4.799 4.480 0.001 0.000 0.265 267 M C 2.030 178.298 176.300 -0.052 0.000 1.071 267 M CA 1.313 56.567 55.300 -0.077 0.000 1.140 267 M CB -0.090 32.420 32.600 -0.149 0.000 1.369 267 M HN 0.072 nan 8.290 nan 0.000 0.423 268 R N -0.250 120.224 120.500 -0.043 0.000 2.335 268 R HA 0.268 4.609 4.340 0.001 0.000 0.223 268 R C 0.782 177.073 176.300 -0.015 0.000 0.940 268 R CA 0.507 56.588 56.100 -0.031 0.000 1.086 268 R CB -0.555 29.727 30.300 -0.030 0.000 1.073 268 R HN 0.586 nan 8.270 nan 0.000 0.504 269 G N 1.749 110.546 108.800 -0.006 0.000 2.361 269 G HA2 -0.288 3.673 3.960 0.001 0.000 0.294 269 G HA3 -0.288 3.673 3.960 0.001 0.000 0.294 269 G C 0.760 175.667 174.900 0.011 0.000 1.004 269 G CA 0.404 45.508 45.100 0.007 0.000 0.870 269 G HN 0.393 nan 8.290 nan 0.000 0.510 270 I N -1.422 119.154 120.570 0.011 0.000 2.163 270 I HA -0.034 4.136 4.170 0.001 0.000 0.240 270 I C 0.882 177.012 176.117 0.023 0.000 1.081 270 I CA 1.304 62.612 61.300 0.013 0.000 1.353 270 I CB -0.049 37.956 38.000 0.008 0.000 1.054 270 I HN 0.112 nan 8.210 nan 0.000 0.407 271 V N 1.071 121.005 119.914 0.033 0.000 2.567 271 V HA 0.206 4.327 4.120 0.001 0.000 0.298 271 V C -0.594 175.537 176.094 0.060 0.000 1.047 271 V CA -1.100 61.227 62.300 0.044 0.000 0.880 271 V CB 1.607 33.456 31.823 0.043 0.000 1.009 271 V HN 0.071 nan 8.190 nan 0.000 0.429 272 K N 3.166 123.603 120.400 0.061 0.000 2.419 272 K HA 0.461 4.782 4.320 0.001 0.000 0.282 272 K C -0.567 176.080 176.600 0.079 0.000 1.056 272 K CA 0.395 56.726 56.287 0.074 0.000 1.035 272 K CB 0.561 33.097 32.500 0.060 0.000 0.921 272 K HN 0.502 nan 8.250 nan 0.000 0.472 273 V N 1.489 121.466 119.914 0.106 0.000 3.049 273 V HA 0.835 4.956 4.120 0.001 0.000 0.309 273 V C -1.010 175.079 176.094 -0.008 0.000 1.148 273 V CA -1.044 61.292 62.300 0.061 0.000 0.990 273 V CB 2.161 34.026 31.823 0.070 0.000 1.039 273 V HN 0.773 nan 8.190 nan 0.000 0.430 274 A N 2.137 124.806 122.820 -0.251 0.000 2.549 274 A HA 1.022 5.342 4.320 0.001 0.000 0.297 274 A C -0.839 176.393 177.584 -0.588 0.000 1.061 274 A CA -0.095 51.474 52.037 -0.779 0.000 0.690 274 A CB 1.973 20.721 19.000 -0.420 0.000 1.287 274 A HN 1.795 nan 8.150 nan 0.000 0.402 275 A N 0.529 122.889 122.820 -0.766 0.000 2.401 275 A HA 0.882 5.202 4.320 0.001 0.000 0.310 275 A C -0.590 176.921 177.584 -0.123 0.000 1.075 275 A CA -0.158 51.709 52.037 -0.284 0.000 0.746 275 A CB 1.489 20.392 19.000 -0.162 0.000 1.277 275 A HN 2.255 nan 8.150 nan 0.000 0.425 276 V N -0.877 119.033 119.914 -0.007 0.000 2.888 276 V HA 0.540 4.661 4.120 0.001 0.000 0.309 276 V C -0.457 175.700 176.094 0.105 0.000 1.114 276 V CA -1.303 61.038 62.300 0.068 0.000 0.940 276 V CB 1.457 33.336 31.823 0.093 0.000 1.021 276 V HN 0.853 nan 8.190 nan 0.000 0.426 277 K N 2.544 123.009 120.400 0.109 0.000 2.511 277 K HA 0.422 4.743 4.320 0.001 0.000 0.280 277 K C 0.732 177.410 176.600 0.130 0.000 1.008 277 K CA 0.583 56.932 56.287 0.103 0.000 1.050 277 K CB 0.850 33.407 32.500 0.094 0.000 0.889 277 K HN 1.117 nan 8.250 nan 0.000 0.484 278 A N 5.646 128.503 122.820 0.061 0.000 2.507 278 A HA 0.154 4.475 4.320 0.001 0.000 0.235 278 A C -1.948 175.621 177.584 -0.024 0.000 1.070 278 A CA -0.923 51.098 52.037 -0.028 0.000 0.768 278 A CB -0.380 18.584 19.000 -0.060 0.000 1.011 278 A HN 0.478 nan 8.150 nan 0.000 0.502 279 P HA 0.417 nan 4.420 nan 0.000 0.274 279 P C 0.740 178.039 177.300 -0.002 0.000 1.237 279 P CA 1.271 64.337 63.100 -0.058 0.000 0.793 279 P CB 0.528 32.068 31.700 -0.266 0.000 0.977 280 G N 1.321 110.171 108.800 0.083 0.000 2.641 280 G HA2 -0.098 3.862 3.960 0.001 0.000 0.254 280 G HA3 -0.098 3.862 3.960 0.001 0.000 0.254 280 G C -0.758 174.273 174.900 0.219 0.000 1.315 280 G CA 0.234 45.411 45.100 0.127 0.000 0.907 280 G HN 0.770 nan 8.290 nan 0.000 0.572 281 F N -2.348 117.614 119.950 0.019 0.000 2.662 281 F HA 0.752 5.280 4.527 0.001 0.000 0.312 281 F C 1.133 176.944 175.800 0.018 0.000 1.113 281 F CA 0.357 58.368 58.000 0.019 0.000 0.951 281 F CB 1.017 40.032 39.000 0.025 0.000 1.344 281 F HN 2.388 nan 8.300 nan 0.000 0.462 282 G N 1.523 110.364 108.800 0.069 0.000 2.634 282 G HA2 -0.353 3.607 3.960 0.001 0.000 0.318 282 G HA3 -0.353 3.607 3.960 0.001 0.000 0.318 282 G C 0.512 175.351 174.900 -0.102 0.000 1.207 282 G CA 0.934 46.015 45.100 -0.033 0.000 0.987 282 G HN 0.834 nan 8.290 nan 0.000 0.547 283 D N 1.200 121.503 120.400 -0.162 0.000 2.144 283 D HA -0.020 4.621 4.640 0.001 0.000 0.207 283 D C 2.542 178.769 176.300 -0.122 0.000 0.970 283 D CA 1.491 55.424 54.000 -0.112 0.000 0.853 283 D CB -0.296 40.447 40.800 -0.095 0.000 1.007 283 D HN 0.676 nan 8.370 nan 0.000 0.469 284 R N 1.266 121.662 120.500 -0.172 0.000 2.293 284 R HA -0.001 4.339 4.340 0.001 0.000 0.219 284 R C 2.060 178.284 176.300 -0.126 0.000 1.091 284 R CA 0.679 56.692 56.100 -0.144 0.000 1.004 284 R CB -0.377 29.830 30.300 -0.155 0.000 0.865 284 R HN 0.063 nan 8.270 nan 0.000 0.469 285 R N 1.842 122.268 120.500 -0.123 0.000 2.066 285 R HA -0.078 4.263 4.340 0.001 0.000 0.232 285 R C 1.349 177.604 176.300 -0.075 0.000 1.131 285 R CA 1.672 57.724 56.100 -0.081 0.000 0.955 285 R CB -0.023 30.256 30.300 -0.036 0.000 0.851 285 R HN 0.249 nan 8.270 nan 0.000 0.432 286 K N -0.061 120.302 120.400 -0.063 0.000 2.148 286 K HA -0.022 4.298 4.320 0.001 0.000 0.204 286 K C 1.994 178.560 176.600 -0.057 0.000 1.050 286 K CA 1.239 57.495 56.287 -0.052 0.000 0.942 286 K CB -0.026 32.451 32.500 -0.038 0.000 0.724 286 K HN 0.234 nan 8.250 nan 0.000 0.446 287 A N 0.769 123.550 122.820 -0.065 0.000 1.929 287 A HA -0.073 4.248 4.320 0.001 0.000 0.216 287 A C 2.046 179.585 177.584 -0.074 0.000 1.176 287 A CA 1.122 53.121 52.037 -0.063 0.000 0.628 287 A CB -0.277 18.685 19.000 -0.063 0.000 0.816 287 A HN 0.157 nan 8.150 nan 0.000 0.444 288 M N -1.058 118.487 119.600 -0.092 0.000 2.236 288 M HA 0.031 4.512 4.480 0.001 0.000 0.266 288 M C 2.162 178.377 176.300 -0.142 0.000 1.070 288 M CA 0.964 56.194 55.300 -0.117 0.000 1.137 288 M CB -0.249 32.269 32.600 -0.135 0.000 1.378 288 M HN 0.480 nan 8.290 nan 0.000 0.426 289 L N 0.128 121.273 121.223 -0.130 0.000 2.083 289 L HA -0.272 4.069 4.340 0.001 0.000 0.209 289 L C 2.571 179.388 176.870 -0.090 0.000 1.083 289 L CA 1.424 56.189 54.840 -0.125 0.000 0.752 289 L CB -0.253 41.752 42.059 -0.090 0.000 0.899 289 L HN 0.287 nan 8.230 nan 0.000 0.433 290 Q N 0.273 120.031 119.800 -0.070 0.000 2.061 290 Q HA -0.256 4.085 4.340 0.001 0.000 0.204 290 Q C 1.695 177.665 176.000 -0.050 0.000 0.984 290 Q CA 2.240 58.013 55.803 -0.051 0.000 0.846 290 Q CB -0.301 28.411 28.738 -0.043 0.000 0.902 290 Q HN 0.466 nan 8.270 nan 0.000 0.421 291 D N -0.235 120.128 120.400 -0.062 0.000 2.116 291 D HA -0.183 4.457 4.640 0.001 0.000 0.193 291 D C 1.934 178.205 176.300 -0.048 0.000 0.998 291 D CA 1.546 55.514 54.000 -0.053 0.000 0.836 291 D CB -0.319 40.444 40.800 -0.062 0.000 0.951 291 D HN 0.384 nan 8.370 nan 0.000 0.449 292 I N 1.101 121.627 120.570 -0.072 0.000 2.179 292 I HA -0.280 3.890 4.170 0.001 0.000 0.242 292 I C 2.522 178.624 176.117 -0.025 0.000 1.088 292 I CA 1.053 62.321 61.300 -0.054 0.000 1.357 292 I CB -0.349 37.589 38.000 -0.102 0.000 1.051 292 I HN -0.063 nan 8.210 nan 0.000 0.409 293 A N 1.030 123.832 122.820 -0.030 0.000 1.859 293 A HA -0.263 4.058 4.320 0.001 0.000 0.217 293 A C 2.413 179.993 177.584 -0.007 0.000 1.198 293 A CA 2.899 54.929 52.037 -0.013 0.000 0.629 293 A CB -1.373 17.617 19.000 -0.016 0.000 0.830 293 A HN 0.429 nan 8.150 nan 0.000 0.446 294 T N 0.547 115.093 114.554 -0.013 0.000 2.685 294 T HA -0.189 4.162 4.350 0.001 0.000 0.268 294 T C 1.808 176.506 174.700 -0.004 0.000 1.034 294 T CA 1.396 63.491 62.100 -0.009 0.000 1.149 294 T CB -0.441 68.419 68.868 -0.014 0.000 0.860 294 T HN 0.303 nan 8.240 nan 0.000 0.449 295 L N 1.648 122.868 121.223 -0.004 0.000 2.083 295 L HA -0.096 4.245 4.340 0.001 0.000 0.209 295 L C 2.299 179.173 176.870 0.006 0.000 1.083 295 L CA 2.292 57.133 54.840 0.002 0.000 0.752 295 L CB -1.049 41.014 42.059 0.006 0.000 0.899 295 L HN 0.528 nan 8.230 nan 0.000 0.433 296 T N -4.667 109.893 114.554 0.010 0.000 3.044 296 T HA 0.275 4.626 4.350 0.001 0.000 0.260 296 T C 1.117 175.828 174.700 0.019 0.000 1.019 296 T CA 0.338 62.447 62.100 0.015 0.000 0.921 296 T CB 0.218 69.100 68.868 0.023 0.000 1.053 296 T HN 0.467 nan 8.240 nan 0.000 0.533 297 G N 0.551 109.360 108.800 0.015 0.000 2.333 297 G HA2 0.123 4.084 3.960 0.001 0.000 0.296 297 G HA3 0.123 4.084 3.960 0.001 0.000 0.296 297 G C 0.274 175.191 174.900 0.028 0.000 1.059 297 G CA -0.177 44.934 45.100 0.019 0.000 1.050 297 G HN 1.045 nan 8.290 nan 0.000 0.508 298 G N -1.410 107.405 108.800 0.024 0.000 3.013 298 G HA2 0.892 4.852 3.960 0.001 0.000 0.278 298 G HA3 0.892 4.852 3.960 0.001 0.000 0.278 298 G C -0.413 174.496 174.900 0.014 0.000 1.353 298 G CA 0.146 45.263 45.100 0.028 0.000 1.043 298 G HN 0.741 nan 8.290 nan 0.000 0.523 299 T N -0.195 114.366 114.554 0.012 0.000 2.863 299 T HA 0.487 4.837 4.350 0.001 0.000 0.285 299 T C -0.327 174.372 174.700 -0.001 0.000 1.009 299 T CA -0.383 61.719 62.100 0.003 0.000 0.989 299 T CB 1.890 70.760 68.868 0.002 0.000 1.004 299 T HN 0.369 nan 8.240 nan 0.000 0.455 300 V N 3.728 123.638 119.914 -0.007 0.000 2.408 300 V HA 0.296 4.417 4.120 0.001 0.000 0.267 300 V C 0.270 176.359 176.094 -0.008 0.000 1.047 300 V CA -0.630 61.663 62.300 -0.011 0.000 0.937 300 V CB 0.061 31.874 31.823 -0.018 0.000 0.999 300 V HN 0.765 nan 8.190 nan 0.000 0.472 301 I N 5.257 125.823 120.570 -0.006 0.000 2.329 301 I HA 0.227 4.397 4.170 0.001 0.000 0.295 301 I C 0.448 176.562 176.117 -0.005 0.000 1.109 301 I CA 0.432 61.729 61.300 -0.005 0.000 1.297 301 I CB 0.305 38.303 38.000 -0.004 0.000 1.433 301 I HN 0.660 nan 8.210 nan 0.000 0.509 302 S N 3.749 119.445 115.700 -0.006 0.000 2.454 302 S HA 0.340 4.810 4.470 0.001 0.000 0.306 302 S C 0.572 175.170 174.600 -0.003 0.000 1.100 302 S CA -0.925 57.272 58.200 -0.005 0.000 1.087 302 S CB 2.031 65.226 63.200 -0.007 0.000 1.019 302 S HN 0.581 nan 8.310 nan 0.000 0.480 303 E N 1.432 121.632 120.200 -0.000 0.000 2.333 303 E HA -0.156 4.194 4.350 0.001 0.000 0.198 303 E C 0.962 177.562 176.600 0.000 0.000 1.007 303 E CA 0.931 57.331 56.400 0.001 0.000 0.845 303 E CB -0.022 29.680 29.700 0.004 0.000 0.766 303 E HN 0.770 nan 8.360 nan 0.000 0.507 304 E N -0.022 120.178 120.200 -0.001 0.000 2.358 304 E HA -0.070 4.281 4.350 0.001 0.000 0.195 304 E C 1.322 177.920 176.600 -0.003 0.000 1.010 304 E CA 0.575 56.974 56.400 -0.001 0.000 0.856 304 E CB 0.182 29.880 29.700 -0.002 0.000 0.795 304 E HN 0.327 nan 8.360 nan 0.000 0.504 305 I N -0.832 119.736 120.570 -0.003 0.000 4.082 305 I HA 0.264 4.434 4.170 0.001 0.000 0.337 305 I C 1.036 177.151 176.117 -0.003 0.000 1.352 305 I CA 0.021 61.318 61.300 -0.004 0.000 1.097 305 I CB 0.902 38.899 38.000 -0.005 0.000 1.048 305 I HN 0.114 nan 8.210 nan 0.000 0.393 306 G N 1.779 110.578 108.800 -0.002 0.000 2.132 306 G HA2 -0.235 3.726 3.960 0.001 0.000 0.228 306 G HA3 -0.235 3.726 3.960 0.001 0.000 0.228 306 G C 0.102 175.001 174.900 -0.002 0.000 1.000 306 G CA -0.320 44.779 45.100 -0.002 0.000 0.693 306 G HN 0.285 nan 8.290 nan 0.000 0.515 307 M N 0.478 120.077 119.600 -0.003 0.000 2.233 307 M HA 0.599 5.080 4.480 0.001 0.000 0.355 307 M C 0.335 176.634 176.300 -0.003 0.000 1.191 307 M CA -0.183 55.114 55.300 -0.003 0.000 1.101 307 M CB 1.143 33.740 32.600 -0.004 0.000 1.592 307 M HN 0.198 nan 8.290 nan 0.000 0.461 308 E N 1.585 121.782 120.200 -0.004 0.000 2.232 308 E HA 0.345 4.696 4.350 0.001 0.000 0.264 308 E C 0.225 176.823 176.600 -0.005 0.000 0.973 308 E CA -0.660 55.738 56.400 -0.003 0.000 0.849 308 E CB 1.932 31.630 29.700 -0.003 0.000 1.198 308 E HN 0.677 nan 8.360 nan 0.000 0.407 309 L N 1.184 122.405 121.223 -0.003 0.000 2.395 309 L HA -0.105 4.236 4.340 0.001 0.000 0.218 309 L C 1.585 178.450 176.870 -0.009 0.000 1.130 309 L CA 0.879 55.716 54.840 -0.005 0.000 0.826 309 L CB -0.098 41.961 42.059 -0.001 0.000 0.941 309 L HN 0.549 nan 8.230 nan 0.000 0.451 310 E N 0.335 120.530 120.200 -0.008 0.000 2.107 310 E HA -0.109 4.241 4.350 0.001 0.000 0.191 310 E C 0.710 177.301 176.600 -0.013 0.000 0.982 310 E CA 0.864 57.258 56.400 -0.010 0.000 0.809 310 E CB 0.104 29.799 29.700 -0.007 0.000 0.756 310 E HN 0.218 nan 8.360 nan 0.000 0.459 311 K N 0.696 121.089 120.400 -0.012 0.000 2.758 311 K HA 0.449 4.770 4.320 0.001 0.000 0.250 311 K C -1.011 175.580 176.600 -0.016 0.000 1.268 311 K CA -0.239 56.040 56.287 -0.013 0.000 1.228 311 K CB 0.863 33.357 32.500 -0.010 0.000 1.715 311 K HN -0.028 nan 8.250 nan 0.000 0.334 312 A N 1.242 124.049 122.820 -0.022 0.000 2.446 312 A HA 0.329 4.650 4.320 0.001 0.000 0.282 312 A C -0.013 177.546 177.584 -0.041 0.000 1.102 312 A CA -0.768 51.252 52.037 -0.027 0.000 0.737 312 A CB 0.737 19.722 19.000 -0.024 0.000 1.212 312 A HN 0.354 nan 8.150 nan 0.000 0.434 313 T N 0.103 114.631 114.554 -0.044 0.000 2.862 313 T HA 0.527 4.878 4.350 0.001 0.000 0.276 313 T C 1.383 176.028 174.700 -0.091 0.000 0.974 313 T CA -0.621 61.441 62.100 -0.063 0.000 0.966 313 T CB 0.409 69.249 68.868 -0.048 0.000 1.072 313 T HN 0.397 nan 8.240 nan 0.000 0.538 314 L N 0.253 121.395 121.223 -0.136 0.000 2.051 314 L HA -0.159 4.181 4.340 0.001 0.000 0.214 314 L C 3.036 179.837 176.870 -0.114 0.000 1.076 314 L CA 2.186 56.890 54.840 -0.226 0.000 0.758 314 L CB -0.618 41.280 42.059 -0.267 0.000 0.890 314 L HN 0.917 nan 8.230 nan 0.000 0.433 315 E N 0.034 120.204 120.200 -0.050 0.000 2.265 315 E HA -0.245 4.105 4.350 0.001 0.000 0.196 315 E C 1.335 177.941 176.600 0.011 0.000 0.996 315 E CA 1.274 57.674 56.400 -0.000 0.000 0.832 315 E CB 0.048 29.747 29.700 -0.001 0.000 0.756 315 E HN 0.530 nan 8.360 nan 0.000 0.491 316 D N 0.274 120.670 120.400 -0.006 0.000 2.183 316 D HA -0.061 4.579 4.640 0.001 0.000 0.203 316 D C 0.490 176.803 176.300 0.021 0.000 0.969 316 D CA 0.306 54.308 54.000 0.003 0.000 0.842 316 D CB 0.053 40.848 40.800 -0.009 0.000 0.957 316 D HN 0.150 nan 8.370 nan 0.000 0.484 317 L N 0.905 122.145 121.223 0.028 0.000 2.461 317 L HA 0.243 4.584 4.340 0.001 0.000 0.272 317 L C 1.424 178.369 176.870 0.127 0.000 1.197 317 L CA 0.203 55.088 54.840 0.075 0.000 0.836 317 L CB 0.670 42.778 42.059 0.082 0.000 1.105 317 L HN -0.139 nan 8.230 nan 0.000 0.477 318 G N 1.307 110.176 108.800 0.115 0.000 2.588 318 G HA2 0.505 4.466 3.960 0.001 0.000 0.281 318 G HA3 0.505 4.466 3.960 0.001 0.000 0.281 318 G C -0.991 173.979 174.900 0.116 0.000 1.236 318 G CA -0.220 44.936 45.100 0.095 0.000 0.969 318 G HN 0.547 nan 8.290 nan 0.000 0.504 319 Q N -1.794 118.032 119.800 0.044 0.000 2.438 319 Q HA 0.532 4.872 4.340 0.001 0.000 0.272 319 Q C -1.194 174.778 176.000 -0.046 0.000 0.994 319 Q CA -0.666 55.116 55.803 -0.035 0.000 0.887 319 Q CB 2.160 30.852 28.738 -0.078 0.000 1.432 319 Q HN 0.971 nan 8.270 nan 0.000 0.392 320 A N 1.726 124.500 122.820 -0.077 0.000 2.567 320 A HA 0.537 4.858 4.320 0.001 0.000 0.289 320 A C -0.692 176.845 177.584 -0.077 0.000 1.177 320 A CA -0.530 51.474 52.037 -0.055 0.000 0.694 320 A CB 1.564 20.549 19.000 -0.024 0.000 1.292 320 A HN 0.714 nan 8.150 nan 0.000 0.425 321 K N -0.873 119.494 120.400 -0.054 0.000 2.356 321 K HA 0.211 4.532 4.320 0.001 0.000 0.195 321 K C 0.268 176.840 176.600 -0.047 0.000 1.037 321 K CA 0.725 56.979 56.287 -0.056 0.000 1.014 321 K CB 0.273 32.748 32.500 -0.042 0.000 0.815 321 K HN 0.503 nan 8.250 nan 0.000 0.507 322 R N -0.171 120.307 120.500 -0.036 0.000 2.644 322 R HA 0.177 4.518 4.340 0.001 0.000 0.257 322 R C -1.895 174.393 176.300 -0.020 0.000 1.082 322 R CA -0.549 55.535 56.100 -0.027 0.000 0.927 322 R CB 1.948 32.235 30.300 -0.022 0.000 1.258 322 R HN -0.054 nan 8.270 nan 0.000 0.459 323 V N -0.277 119.628 119.914 -0.016 0.000 3.007 323 V HA 0.874 4.995 4.120 0.001 0.000 0.311 323 V C -1.327 174.758 176.094 -0.015 0.000 1.120 323 V CA -0.681 61.611 62.300 -0.014 0.000 0.980 323 V CB 2.380 34.199 31.823 -0.006 0.000 1.033 323 V HN 0.403 nan 8.190 nan 0.000 0.429 324 V N 5.267 125.165 119.914 -0.028 0.000 2.488 324 V HA 0.523 4.644 4.120 0.001 0.000 0.293 324 V C -0.319 175.753 176.094 -0.037 0.000 1.027 324 V CA -0.271 62.017 62.300 -0.020 0.000 0.862 324 V CB 1.408 33.218 31.823 -0.021 0.000 1.008 324 V HN 1.026 nan 8.190 nan 0.000 0.428 325 I N 1.201 121.774 120.570 0.004 0.000 2.433 325 I HA 0.702 4.873 4.170 0.001 0.000 0.292 325 I C -0.410 175.758 176.117 0.085 0.000 1.001 325 I CA -0.406 60.897 61.300 0.004 0.000 1.119 325 I CB 1.923 39.933 38.000 0.017 0.000 1.289 325 I HN 0.383 nan 8.210 nan 0.000 0.438 326 N N 4.725 123.415 118.700 -0.018 0.000 2.476 326 N HA 0.186 4.926 4.740 0.001 0.000 0.287 326 N C 0.819 176.154 175.510 -0.292 0.000 1.262 326 N CA -0.592 52.443 53.050 -0.024 0.000 0.980 326 N CB 0.998 39.445 38.487 -0.067 0.000 1.163 326 N HN 0.681 nan 8.380 nan 0.000 0.592 327 K N 0.109 120.332 120.400 -0.295 0.000 2.127 327 K HA -0.207 4.113 4.320 0.001 0.000 0.208 327 K C -0.392 175.905 176.600 -0.506 0.000 1.047 327 K CA 2.291 58.236 56.287 -0.570 0.000 0.927 327 K CB 0.021 32.423 32.500 -0.163 0.000 0.716 327 K HN 0.614 nan 8.250 nan 0.000 0.450 328 D N -2.213 118.018 120.400 -0.282 0.000 2.567 328 D HA 0.093 4.734 4.640 0.001 0.000 0.268 328 D C -0.675 175.531 176.300 -0.157 0.000 1.448 328 D CA -0.383 53.504 54.000 -0.189 0.000 0.811 328 D CB 0.839 41.573 40.800 -0.111 0.000 1.192 328 D HN -0.148 nan 8.370 nan 0.000 0.488 329 T N 0.133 114.575 114.554 -0.186 0.000 2.881 329 T HA 0.591 4.941 4.350 0.001 0.000 0.290 329 T C -0.966 173.555 174.700 -0.299 0.000 1.000 329 T CA -0.313 61.659 62.100 -0.214 0.000 0.978 329 T CB 2.066 70.846 68.868 -0.146 0.000 0.997 329 T HN -0.137 nan 8.240 nan 0.000 0.443 330 T N 2.412 116.640 114.554 -0.542 0.000 2.823 330 T HA 0.669 5.020 4.350 0.001 0.000 0.279 330 T C -0.336 174.039 174.700 -0.541 0.000 0.998 330 T CA -0.541 61.193 62.100 -0.610 0.000 0.994 330 T CB 1.501 69.758 68.868 -1.018 0.000 0.960 330 T HN 0.624 nan 8.240 nan 0.000 0.448 331 T N 3.134 117.527 114.554 -0.268 0.000 2.881 331 T HA 0.647 4.998 4.350 0.001 0.000 0.291 331 T C -0.833 173.832 174.700 -0.057 0.000 0.990 331 T CA -0.684 61.329 62.100 -0.146 0.000 0.976 331 T CB 0.212 69.016 68.868 -0.107 0.000 0.970 331 T HN 0.464 nan 8.240 nan 0.000 0.438 332 I N 5.701 126.276 120.570 0.007 0.000 2.336 332 I HA 0.472 4.642 4.170 0.001 0.000 0.292 332 I C -0.251 175.876 176.117 0.017 0.000 0.991 332 I CA -0.903 60.416 61.300 0.032 0.000 1.227 332 I CB 1.430 39.481 38.000 0.084 0.000 1.366 332 I HN 0.581 nan 8.210 nan 0.000 0.466 333 I N 5.799 126.370 120.570 0.001 0.000 2.362 333 I HA 0.262 4.432 4.170 0.001 0.000 0.289 333 I C -0.593 175.520 176.117 -0.008 0.000 0.994 333 I CA -0.441 60.856 61.300 -0.005 0.000 1.158 333 I CB 1.341 39.334 38.000 -0.013 0.000 1.315 333 I HN 0.591 nan 8.210 nan 0.000 0.451 334 D N 4.917 125.313 120.400 -0.006 0.000 3.437 334 D HA -0.109 4.531 4.640 0.001 0.000 0.243 334 D C -0.023 176.270 176.300 -0.012 0.000 1.104 334 D CA 0.864 54.858 54.000 -0.010 0.000 1.009 334 D CB -0.263 40.527 40.800 -0.016 0.000 0.937 334 D HN 0.816 nan 8.370 nan 0.000 0.417 335 G N 0.862 109.660 108.800 -0.005 0.000 2.395 335 G HA2 0.433 4.394 3.960 0.001 0.000 0.283 335 G HA3 0.433 4.394 3.960 0.001 0.000 0.283 335 G C 1.372 176.268 174.900 -0.007 0.000 1.178 335 G CA -0.380 44.717 45.100 -0.004 0.000 0.837 335 G HN 0.353 nan 8.290 nan 0.000 0.518 336 V N 2.396 122.304 119.914 -0.009 0.000 2.913 336 V HA -0.004 4.116 4.120 0.001 0.000 0.260 336 V C 2.176 178.270 176.094 0.000 0.000 1.098 336 V CA 1.052 63.348 62.300 -0.008 0.000 1.121 336 V CB -1.102 30.717 31.823 -0.008 0.000 0.714 336 V HN 0.815 nan 8.190 nan 0.000 0.487 337 G N 1.129 109.930 108.800 0.003 0.000 2.224 337 G HA2 0.052 4.013 3.960 0.001 0.000 0.239 337 G HA3 0.052 4.013 3.960 0.001 0.000 0.239 337 G C -0.145 174.756 174.900 0.001 0.000 1.240 337 G CA -0.138 44.964 45.100 0.004 0.000 0.896 337 G HN 0.570 nan 8.290 nan 0.000 0.496 338 E N 1.847 122.048 120.200 0.001 0.000 2.301 338 E HA 0.112 4.463 4.350 0.001 0.000 0.275 338 E C 0.698 177.297 176.600 -0.001 0.000 1.030 338 E CA -0.353 56.047 56.400 -0.000 0.000 0.852 338 E CB 1.754 31.454 29.700 0.001 0.000 1.060 338 E HN 0.662 nan 8.360 nan 0.000 0.401 339 E N 1.679 121.877 120.200 -0.002 0.000 2.333 339 E HA -0.231 4.119 4.350 0.001 0.000 0.198 339 E C 1.646 178.245 176.600 -0.003 0.000 1.007 339 E CA 0.688 57.086 56.400 -0.003 0.000 0.845 339 E CB -0.043 29.655 29.700 -0.003 0.000 0.766 339 E HN 0.602 nan 8.360 nan 0.000 0.507 340 A N 1.823 124.642 122.820 -0.003 0.000 1.841 340 A HA -0.204 4.117 4.320 0.001 0.000 0.216 340 A C 2.436 180.018 177.584 -0.004 0.000 1.199 340 A CA 1.993 54.028 52.037 -0.003 0.000 0.621 340 A CB -0.838 18.161 19.000 -0.002 0.000 0.835 340 A HN 0.326 nan 8.150 nan 0.000 0.445 341 A N -0.552 122.266 122.820 -0.003 0.000 1.930 341 A HA 0.010 4.330 4.320 0.001 0.000 0.217 341 A C 2.130 179.710 177.584 -0.006 0.000 1.175 341 A CA 1.470 53.504 52.037 -0.004 0.000 0.627 341 A CB -0.617 18.381 19.000 -0.003 0.000 0.815 341 A HN 0.524 nan 8.150 nan 0.000 0.443 342 I N -1.123 119.444 120.570 -0.005 0.000 2.202 342 I HA -0.218 3.952 4.170 0.001 0.000 0.242 342 I C 2.707 178.820 176.117 -0.007 0.000 1.091 342 I CA 1.367 62.663 61.300 -0.007 0.000 1.368 342 I CB -0.365 37.632 38.000 -0.005 0.000 1.058 342 I HN 0.257 nan 8.210 nan 0.000 0.410 343 Q N 1.490 121.286 119.800 -0.006 0.000 2.050 343 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 343 Q C 2.226 178.221 176.000 -0.008 0.000 0.980 343 Q CA 2.165 57.963 55.803 -0.007 0.000 0.840 343 Q CB -1.053 27.681 28.738 -0.006 0.000 0.898 343 Q HN 0.499 nan 8.270 nan 0.000 0.424 344 G N -0.067 108.728 108.800 -0.008 0.000 2.442 344 G HA2 -0.336 3.624 3.960 0.001 0.000 0.219 344 G HA3 -0.336 3.624 3.960 0.001 0.000 0.219 344 G C 1.617 176.511 174.900 -0.010 0.000 1.141 344 G CA 1.068 46.163 45.100 -0.008 0.000 0.763 344 G HN 0.385 nan 8.290 nan 0.000 0.554 345 R N -0.198 120.295 120.500 -0.012 0.000 2.148 345 R HA 0.104 4.445 4.340 0.001 0.000 0.223 345 R C 2.435 178.726 176.300 -0.016 0.000 1.088 345 R CA 0.873 56.964 56.100 -0.015 0.000 0.985 345 R CB -0.372 29.918 30.300 -0.016 0.000 0.880 345 R HN 0.213 nan 8.270 nan 0.000 0.451 346 V N 0.597 120.502 119.914 -0.014 0.000 2.453 346 V HA -0.120 4.001 4.120 0.001 0.000 0.247 346 V C 2.257 178.343 176.094 -0.014 0.000 1.048 346 V CA 1.734 64.025 62.300 -0.015 0.000 1.049 346 V CB -0.526 31.290 31.823 -0.012 0.000 0.672 346 V HN 0.529 nan 8.190 nan 0.000 0.457 347 A N -0.893 121.919 122.820 -0.013 0.000 1.972 347 A HA -0.264 4.057 4.320 0.001 0.000 0.219 347 A C 2.169 179.745 177.584 -0.013 0.000 1.169 347 A CA 1.755 53.785 52.037 -0.012 0.000 0.635 347 A CB -0.366 18.628 19.000 -0.010 0.000 0.810 347 A HN 0.621 nan 8.150 nan 0.000 0.446 348 Q N -0.544 119.247 119.800 -0.015 0.000 2.016 348 Q HA -0.066 4.275 4.340 0.001 0.000 0.200 348 Q C 2.000 177.989 176.000 -0.019 0.000 0.978 348 Q CA 1.619 57.412 55.803 -0.016 0.000 0.833 348 Q CB -0.265 28.463 28.738 -0.017 0.000 0.895 348 Q HN 0.754 nan 8.270 nan 0.000 0.427 349 I N -0.049 120.508 120.570 -0.022 0.000 2.353 349 I HA -0.211 3.960 4.170 0.001 0.000 0.248 349 I C 2.393 178.495 176.117 -0.024 0.000 1.119 349 I CA 0.576 61.860 61.300 -0.026 0.000 1.417 349 I CB -0.181 37.801 38.000 -0.030 0.000 1.078 349 I HN 0.086 nan 8.210 nan 0.000 0.421 350 R N 1.048 121.536 120.500 -0.020 0.000 2.133 350 R HA -0.270 4.071 4.340 0.001 0.000 0.245 350 R C 2.332 178.622 176.300 -0.017 0.000 1.137 350 R CA 2.046 58.135 56.100 -0.018 0.000 0.947 350 R CB -0.333 29.959 30.300 -0.014 0.000 0.865 350 R HN 0.394 nan 8.270 nan 0.000 0.437 351 Q N -0.685 119.106 119.800 -0.016 0.000 2.167 351 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 351 Q C 2.082 178.073 176.000 -0.016 0.000 0.970 351 Q CA 1.326 57.121 55.803 -0.014 0.000 0.855 351 Q CB 0.136 28.867 28.738 -0.013 0.000 0.911 351 Q HN 0.523 nan 8.270 nan 0.000 0.438 352 Q N 0.164 119.953 119.800 -0.019 0.000 2.181 352 Q HA -0.164 4.177 4.340 0.001 0.000 0.205 352 Q C 1.996 177.983 176.000 -0.022 0.000 0.980 352 Q CA 1.002 56.792 55.803 -0.021 0.000 0.862 352 Q CB -0.195 28.526 28.738 -0.027 0.000 0.905 352 Q HN 0.504 nan 8.270 nan 0.000 0.429 353 I N 1.070 121.627 120.570 -0.023 0.000 2.493 353 I HA -0.216 3.955 4.170 0.001 0.000 0.254 353 I C 1.946 178.054 176.117 -0.016 0.000 1.160 353 I CA 0.701 61.987 61.300 -0.022 0.000 1.445 353 I CB -0.270 37.716 38.000 -0.024 0.000 1.086 353 I HN 0.068 nan 8.210 nan 0.000 0.433 354 E N 1.500 121.692 120.200 -0.013 0.000 2.047 354 E HA -0.189 4.162 4.350 0.001 0.000 0.191 354 E C 1.781 178.377 176.600 -0.008 0.000 0.987 354 E CA 1.335 57.729 56.400 -0.010 0.000 0.799 354 E CB -0.362 29.333 29.700 -0.009 0.000 0.752 354 E HN 0.601 nan 8.360 nan 0.000 0.449 355 E N 0.745 120.940 120.200 -0.009 0.000 2.489 355 E HA 0.234 4.585 4.350 0.001 0.000 0.193 355 E C 0.159 176.756 176.600 -0.005 0.000 1.057 355 E CA 0.169 56.565 56.400 -0.006 0.000 0.866 355 E CB 0.304 30.000 29.700 -0.007 0.000 0.916 355 E HN 0.076 nan 8.360 nan 0.000 0.500 356 A N 1.752 124.567 122.820 -0.007 0.000 2.505 356 A HA 0.050 4.371 4.320 0.001 0.000 0.271 356 A C 1.407 178.992 177.584 0.002 0.000 1.112 356 A CA 0.238 52.273 52.037 -0.005 0.000 0.781 356 A CB -0.204 18.789 19.000 -0.012 0.000 1.059 356 A HN 0.288 nan 8.150 nan 0.000 0.508 357 T N 0.020 114.579 114.554 0.008 0.000 3.054 357 T HA 0.183 4.534 4.350 0.001 0.000 0.259 357 T C 0.922 175.634 174.700 0.020 0.000 1.092 357 T CA 0.795 62.902 62.100 0.012 0.000 1.121 357 T CB -0.067 68.808 68.868 0.011 0.000 0.912 357 T HN 0.714 nan 8.240 nan 0.000 0.489 358 S N -0.406 115.312 115.700 0.029 0.000 2.607 358 S HA 0.366 4.836 4.470 0.001 0.000 0.303 358 S C 0.285 174.915 174.600 0.050 0.000 1.086 358 S CA -0.715 57.513 58.200 0.047 0.000 0.995 358 S CB 1.670 64.912 63.200 0.070 0.000 1.084 358 S HN 0.108 nan 8.310 nan 0.000 0.507 359 D N 1.097 121.534 120.400 0.063 0.000 2.123 359 D HA -0.082 4.558 4.640 0.001 0.000 0.200 359 D C 1.349 177.689 176.300 0.067 0.000 0.976 359 D CA 1.203 55.235 54.000 0.053 0.000 0.831 359 D CB -0.205 40.627 40.800 0.054 0.000 0.974 359 D HN 0.729 nan 8.370 nan 0.000 0.469 360 Y N 2.195 122.495 120.300 0.000 0.000 2.193 360 Y HA -0.208 4.342 4.550 0.001 0.000 0.285 360 Y C 1.795 177.691 175.900 -0.008 0.000 1.166 360 Y CA 1.665 59.765 58.100 -0.000 0.000 1.181 360 Y CB -0.071 38.391 38.460 0.004 0.000 0.976 360 Y HN -0.070 nan 8.280 nan 0.000 0.520 361 D N -0.574 119.842 120.400 0.026 0.000 2.264 361 D HA -0.136 4.505 4.640 0.001 0.000 0.208 361 D C 2.105 178.347 176.300 -0.096 0.000 0.966 361 D CA 0.766 54.737 54.000 -0.048 0.000 0.864 361 D CB -0.087 40.726 40.800 0.021 0.000 0.933 361 D HN 0.405 nan 8.370 nan 0.000 0.499 362 R N 0.977 121.432 120.500 -0.074 0.000 2.064 362 R HA -0.114 4.227 4.340 0.001 0.000 0.228 362 R C 2.294 178.531 176.300 -0.104 0.000 1.144 362 R CA 1.185 57.244 56.100 -0.068 0.000 0.932 362 R CB 0.122 30.401 30.300 -0.036 0.000 0.833 362 R HN 0.065 nan 8.270 nan 0.000 0.429 363 E N 0.981 121.102 120.200 -0.131 0.000 2.070 363 E HA -0.254 4.096 4.350 0.001 0.000 0.197 363 E C 1.767 178.262 176.600 -0.175 0.000 1.004 363 E CA 1.130 57.446 56.400 -0.139 0.000 0.805 363 E CB -0.295 29.318 29.700 -0.144 0.000 0.744 363 E HN 0.210 nan 8.360 nan 0.000 0.451 364 K N 0.678 120.907 120.400 -0.285 0.000 2.211 364 K HA -0.060 4.261 4.320 0.001 0.000 0.204 364 K C 2.322 178.829 176.600 -0.155 0.000 1.047 364 K CA 0.748 56.876 56.287 -0.265 0.000 0.935 364 K CB -0.292 31.984 32.500 -0.374 0.000 0.728 364 K HN 0.278 nan 8.250 nan 0.000 0.452 365 L N -0.198 120.948 121.223 -0.128 0.000 2.202 365 L HA -0.022 4.319 4.340 0.001 0.000 0.205 365 L C 2.240 179.071 176.870 -0.066 0.000 1.083 365 L CA 0.525 55.314 54.840 -0.085 0.000 0.790 365 L CB -0.327 41.690 42.059 -0.070 0.000 0.942 365 L HN 0.063 nan 8.230 nan 0.000 0.452 366 Q N 0.171 119.932 119.800 -0.065 0.000 2.364 366 Q HA -0.180 4.161 4.340 0.001 0.000 0.207 366 Q C 1.850 177.824 176.000 -0.043 0.000 0.970 366 Q CA 1.050 56.825 55.803 -0.047 0.000 0.888 366 Q CB 0.110 28.822 28.738 -0.043 0.000 0.951 366 Q HN 0.490 nan 8.270 nan 0.000 0.469 367 E N -0.005 120.161 120.200 -0.055 0.000 2.112 367 E HA -0.067 4.284 4.350 0.001 0.000 0.190 367 E C 1.881 178.461 176.600 -0.034 0.000 0.979 367 E CA 0.360 56.734 56.400 -0.043 0.000 0.814 367 E CB 0.226 29.894 29.700 -0.054 0.000 0.762 367 E HN 0.234 nan 8.360 nan 0.000 0.460 368 R N 0.510 120.983 120.500 -0.045 0.000 2.090 368 R HA -0.094 4.247 4.340 0.001 0.000 0.228 368 R C 2.675 178.957 176.300 -0.029 0.000 1.110 368 R CA 1.339 57.416 56.100 -0.039 0.000 0.973 368 R CB -0.475 29.794 30.300 -0.051 0.000 0.869 368 R HN 0.180 nan 8.270 nan 0.000 0.440 369 V N -1.113 118.783 119.914 -0.029 0.000 2.295 369 V HA -0.120 4.001 4.120 0.001 0.000 0.246 369 V C 2.352 178.436 176.094 -0.015 0.000 1.049 369 V CA 1.814 64.101 62.300 -0.022 0.000 1.024 369 V CB -1.077 30.733 31.823 -0.023 0.000 0.648 369 V HN 0.219 nan 8.190 nan 0.000 0.447 370 A N 0.411 123.222 122.820 -0.015 0.000 1.908 370 A HA -0.234 4.086 4.320 0.001 0.000 0.218 370 A C 2.344 179.927 177.584 -0.002 0.000 1.181 370 A CA 2.426 54.458 52.037 -0.009 0.000 0.627 370 A CB -0.671 18.324 19.000 -0.010 0.000 0.818 370 A HN 0.651 nan 8.150 nan 0.000 0.445 371 K N -1.316 119.085 120.400 0.001 0.000 2.025 371 K HA -0.061 4.259 4.320 0.001 0.000 0.207 371 K C 1.925 178.532 176.600 0.012 0.000 1.049 371 K CA 1.337 57.633 56.287 0.015 0.000 0.933 371 K CB -0.252 32.263 32.500 0.024 0.000 0.714 371 K HN 0.363 nan 8.250 nan 0.000 0.438 372 L N 0.252 121.476 121.223 0.001 0.000 2.068 372 L HA 0.028 4.368 4.340 0.001 0.000 0.204 372 L C 1.954 178.822 176.870 -0.002 0.000 1.076 372 L CA 1.729 56.568 54.840 -0.002 0.000 0.753 372 L CB -0.519 41.533 42.059 -0.011 0.000 0.910 372 L HN 0.092 nan 8.230 nan 0.000 0.439 373 A N -1.401 121.416 122.820 -0.005 0.000 2.132 373 A HA 0.234 4.555 4.320 0.001 0.000 0.213 373 A C 2.157 179.738 177.584 -0.004 0.000 1.154 373 A CA 0.708 52.742 52.037 -0.005 0.000 0.753 373 A CB -0.938 18.058 19.000 -0.008 0.000 0.826 373 A HN 0.460 nan 8.150 nan 0.000 0.469 374 G N -0.330 108.469 108.800 -0.002 0.000 2.421 374 G HA2 0.359 4.320 3.960 0.001 0.000 0.217 374 G HA3 0.359 4.320 3.960 0.001 0.000 0.217 374 G C 1.118 176.018 174.900 -0.001 0.000 1.143 374 G CA 0.684 45.783 45.100 -0.002 0.000 0.784 374 G HN 1.624 nan 8.290 nan 0.000 0.541 375 G N -1.721 107.080 108.800 0.002 0.000 2.855 375 G HA2 0.018 3.979 3.960 0.001 0.000 0.352 375 G HA3 0.018 3.979 3.960 0.001 0.000 0.352 375 G C -0.664 174.236 174.900 0.000 0.000 1.415 375 G CA -0.316 44.785 45.100 0.002 0.000 0.871 375 G HN 0.984 nan 8.290 nan 0.000 0.543 376 V N 0.292 120.205 119.914 -0.002 0.000 2.656 376 V HA 0.762 4.883 4.120 0.001 0.000 0.307 376 V C 0.721 176.809 176.094 -0.009 0.000 1.051 376 V CA -0.117 62.179 62.300 -0.006 0.000 0.893 376 V CB 1.687 33.507 31.823 -0.006 0.000 0.999 376 V HN 2.090 nan 8.190 nan 0.000 0.426 377 A N 4.129 126.942 122.820 -0.012 0.000 2.269 377 A HA 0.710 5.031 4.320 0.001 0.000 0.302 377 A C -0.205 177.370 177.584 -0.015 0.000 1.266 377 A CA -0.379 51.650 52.037 -0.013 0.000 0.894 377 A CB 0.847 19.839 19.000 -0.013 0.000 1.147 377 A HN 1.383 nan 8.150 nan 0.000 0.537 378 V N 1.975 121.881 119.914 -0.013 0.000 2.539 378 V HA 0.734 4.854 4.120 0.001 0.000 0.292 378 V C -0.343 175.744 176.094 -0.013 0.000 1.045 378 V CA -0.584 61.708 62.300 -0.014 0.000 0.945 378 V CB 1.054 32.869 31.823 -0.013 0.000 0.993 378 V HN 0.605 nan 8.190 nan 0.000 0.464 379 I N 5.073 125.635 120.570 -0.013 0.000 2.428 379 I HA 0.391 4.562 4.170 0.001 0.000 0.279 379 I C 0.251 176.363 176.117 -0.009 0.000 1.040 379 I CA -0.559 60.735 61.300 -0.010 0.000 1.171 379 I CB 1.157 39.151 38.000 -0.011 0.000 1.312 379 I HN 0.643 nan 8.210 nan 0.000 0.470 380 K N 4.980 125.375 120.400 -0.008 0.000 2.416 380 K HA 0.256 4.577 4.320 0.001 0.000 0.283 380 K C -0.447 176.150 176.600 -0.005 0.000 1.037 380 K CA -0.233 56.050 56.287 -0.007 0.000 0.995 380 K CB 1.301 33.797 32.500 -0.007 0.000 0.938 380 K HN 0.294 nan 8.250 nan 0.000 0.475 381 V N 2.967 122.878 119.914 -0.004 0.000 2.383 381 V HA 0.252 4.372 4.120 0.001 0.000 0.275 381 V C 0.771 176.864 176.094 -0.003 0.000 1.036 381 V CA -0.590 61.709 62.300 -0.003 0.000 0.889 381 V CB 1.306 33.128 31.823 -0.001 0.000 0.985 381 V HN 0.913 nan 8.190 nan 0.000 0.459 382 G N 3.035 111.834 108.800 -0.003 0.000 2.434 382 G HA2 0.847 4.808 3.960 0.001 0.000 0.330 382 G HA3 0.847 4.808 3.960 0.001 0.000 0.330 382 G C -0.478 174.421 174.900 -0.002 0.000 1.155 382 G CA 0.169 45.267 45.100 -0.002 0.000 0.917 382 G HN 1.215 nan 8.290 nan 0.000 0.493 383 A N -0.624 122.195 122.820 -0.002 0.000 2.467 383 A HA 0.778 5.098 4.320 0.001 0.000 0.301 383 A C 0.650 178.233 177.584 -0.002 0.000 1.126 383 A CA 0.442 52.478 52.037 -0.002 0.000 0.632 383 A CB 0.279 19.278 19.000 -0.001 0.000 1.331 383 A HN 1.821 nan 8.150 nan 0.000 0.482 384 A N -0.982 121.837 122.820 -0.001 0.000 2.044 384 A HA 0.527 4.848 4.320 0.001 0.000 0.213 384 A C 1.101 178.684 177.584 -0.001 0.000 1.169 384 A CA 2.023 54.059 52.037 -0.001 0.000 0.724 384 A CB -0.235 18.764 19.000 -0.001 0.000 0.840 384 A HN 2.193 nan 8.150 nan 0.000 0.463 385 T N -2.576 111.978 114.554 -0.001 0.000 2.916 385 T HA 0.345 4.695 4.350 0.001 0.000 0.305 385 T C 0.479 175.178 174.700 -0.001 0.000 1.119 385 T CA 0.097 62.196 62.100 -0.001 0.000 1.008 385 T CB 1.591 70.459 68.868 -0.001 0.000 1.129 385 T HN 0.274 nan 8.240 nan 0.000 0.480 386 E N 1.738 121.937 120.200 -0.001 0.000 2.065 386 E HA -0.164 4.187 4.350 0.001 0.000 0.201 386 E C 1.903 178.502 176.600 -0.001 0.000 1.016 386 E CA 2.292 58.692 56.400 -0.001 0.000 0.818 386 E CB -0.248 29.451 29.700 -0.001 0.000 0.749 386 E HN 0.605 nan 8.360 nan 0.000 0.453 387 V N 1.051 120.964 119.914 -0.001 0.000 2.380 387 V HA -0.279 3.841 4.120 0.001 0.000 0.251 387 V C 2.385 178.478 176.094 -0.000 0.000 1.063 387 V CA 2.367 64.666 62.300 -0.001 0.000 1.055 387 V CB -0.681 31.142 31.823 -0.001 0.000 0.657 387 V HN 0.358 nan 8.190 nan 0.000 0.455 388 E N -0.817 119.382 120.200 -0.001 0.000 2.158 388 E HA -0.153 4.198 4.350 0.001 0.000 0.191 388 E C 2.147 178.747 176.600 -0.000 0.000 0.982 388 E CA 0.914 57.313 56.400 -0.001 0.000 0.823 388 E CB 0.000 29.700 29.700 -0.001 0.000 0.766 388 E HN 0.556 nan 8.360 nan 0.000 0.468 389 M N 0.296 119.896 119.600 -0.000 0.000 2.299 389 M HA -0.040 4.441 4.480 0.001 0.000 0.264 389 M C 1.911 178.212 176.300 0.000 0.000 1.095 389 M CA 1.174 56.474 55.300 -0.000 0.000 1.165 389 M CB -0.027 32.573 32.600 -0.001 0.000 1.349 389 M HN -0.140 nan 8.290 nan 0.000 0.446 390 K N 0.321 120.721 120.400 0.000 0.000 2.360 390 K HA -0.162 4.158 4.320 0.001 0.000 0.201 390 K C 1.875 178.477 176.600 0.002 0.000 1.046 390 K CA 0.838 57.126 56.287 0.001 0.000 0.945 390 K CB 0.069 32.569 32.500 0.001 0.000 0.750 390 K HN 0.363 nan 8.250 nan 0.000 0.464 391 E N 1.430 121.631 120.200 0.002 0.000 2.011 391 E HA -0.188 4.162 4.350 0.001 0.000 0.191 391 E C 1.785 178.387 176.600 0.003 0.000 0.980 391 E CA 1.221 57.622 56.400 0.002 0.000 0.814 391 E CB -0.024 29.677 29.700 0.001 0.000 0.775 391 E HN 0.095 nan 8.360 nan 0.000 0.454 392 K N 1.141 121.542 120.400 0.002 0.000 2.077 392 K HA -0.259 4.062 4.320 0.001 0.000 0.213 392 K C 2.346 178.948 176.600 0.005 0.000 1.051 392 K CA 2.154 58.442 56.287 0.003 0.000 0.929 392 K CB -0.214 32.287 32.500 0.001 0.000 0.715 392 K HN -0.013 nan 8.250 nan 0.000 0.451 393 K N 0.079 120.481 120.400 0.004 0.000 2.015 393 K HA -0.260 4.060 4.320 0.001 0.000 0.220 393 K C 1.990 178.596 176.600 0.010 0.000 1.055 393 K CA 1.975 58.265 56.287 0.006 0.000 0.951 393 K CB -0.416 32.087 32.500 0.004 0.000 0.725 393 K HN 0.272 nan 8.250 nan 0.000 0.449 394 A N 1.258 124.085 122.820 0.011 0.000 1.917 394 A HA -0.222 4.099 4.320 0.001 0.000 0.219 394 A C 2.216 179.812 177.584 0.020 0.000 1.182 394 A CA 1.897 53.944 52.037 0.017 0.000 0.633 394 A CB -0.653 18.354 19.000 0.013 0.000 0.819 394 A HN 0.470 nan 8.150 nan 0.000 0.448 395 R N -0.741 119.768 120.500 0.014 0.000 2.091 395 R HA -0.114 4.227 4.340 0.001 0.000 0.238 395 R C 2.078 178.389 176.300 0.019 0.000 1.136 395 R CA 1.690 57.799 56.100 0.014 0.000 0.959 395 R CB -0.483 29.822 30.300 0.008 0.000 0.856 395 R HN 0.369 nan 8.270 nan 0.000 0.437 396 V N 1.094 121.018 119.914 0.015 0.000 2.233 396 V HA -0.288 3.832 4.120 0.001 0.000 0.247 396 V C 1.977 178.086 176.094 0.025 0.000 1.050 396 V CA 2.121 64.430 62.300 0.015 0.000 1.010 396 V CB -0.500 31.327 31.823 0.007 0.000 0.637 396 V HN 0.435 nan 8.190 nan 0.000 0.444 397 E N -0.403 119.815 120.200 0.030 0.000 2.187 397 E HA -0.288 4.063 4.350 0.001 0.000 0.199 397 E C 1.942 178.608 176.600 0.111 0.000 1.004 397 E CA 1.624 58.057 56.400 0.054 0.000 0.813 397 E CB -0.179 29.558 29.700 0.061 0.000 0.736 397 E HN 0.634 nan 8.360 nan 0.000 0.468 398 D N -0.235 120.215 120.400 0.084 0.000 2.091 398 D HA -0.085 4.555 4.640 0.001 0.000 0.199 398 D C 1.928 178.281 176.300 0.088 0.000 0.980 398 D CA 1.258 55.308 54.000 0.084 0.000 0.831 398 D CB -0.183 40.639 40.800 0.037 0.000 0.987 398 D HN 0.161 nan 8.370 nan 0.000 0.460 399 A N 1.037 123.890 122.820 0.056 0.000 1.898 399 A HA -0.114 4.206 4.320 0.001 0.000 0.216 399 A C 2.309 179.924 177.584 0.052 0.000 1.181 399 A CA 0.866 52.930 52.037 0.045 0.000 0.620 399 A CB -0.859 18.156 19.000 0.025 0.000 0.819 399 A HN 0.244 nan 8.150 nan 0.000 0.442 400 L N -1.221 120.027 121.223 0.040 0.000 1.990 400 L HA -0.264 4.077 4.340 0.001 0.000 0.213 400 L C 2.625 179.501 176.870 0.010 0.000 1.072 400 L CA 2.173 57.016 54.840 0.005 0.000 0.755 400 L CB -0.479 41.561 42.059 -0.031 0.000 0.889 400 L HN 0.512 nan 8.230 nan 0.000 0.432 401 H N -0.266 118.803 119.070 -0.001 0.000 2.265 401 H HA -0.216 4.340 4.556 0.001 0.000 0.293 401 H C 2.123 177.452 175.328 0.002 0.000 1.089 401 H CA 1.963 58.011 56.048 0.000 0.000 1.244 401 H CB -0.355 29.407 29.762 -0.000 0.000 1.355 401 H HN 0.556 nan 8.280 nan 0.000 0.485 402 A N -0.227 122.692 122.820 0.164 0.000 2.019 402 A HA -0.140 4.180 4.320 0.001 0.000 0.219 402 A C 2.660 180.279 177.584 0.059 0.000 1.164 402 A CA 1.933 54.022 52.037 0.086 0.000 0.644 402 A CB -0.696 18.335 19.000 0.052 0.000 0.805 402 A HN 0.454 nan 8.150 nan 0.000 0.449 403 T N -0.612 113.972 114.554 0.049 0.000 2.737 403 T HA -0.104 4.247 4.350 0.001 0.000 0.265 403 T C 2.054 176.768 174.700 0.024 0.000 1.038 403 T CA 1.405 63.521 62.100 0.028 0.000 1.144 403 T CB -0.211 68.667 68.868 0.017 0.000 0.866 403 T HN 0.505 nan 8.240 nan 0.000 0.434 404 R N 0.784 121.296 120.500 0.020 0.000 2.139 404 R HA -0.036 4.304 4.340 0.001 0.000 0.243 404 R C 2.422 178.739 176.300 0.028 0.000 1.145 404 R CA 1.283 57.391 56.100 0.013 0.000 0.976 404 R CB -0.264 30.033 30.300 -0.005 0.000 0.866 404 R HN 0.340 nan 8.270 nan 0.000 0.449 405 A N -0.160 122.688 122.820 0.047 0.000 2.132 405 A HA 0.173 4.493 4.320 0.001 0.000 0.213 405 A C 2.003 179.607 177.584 0.033 0.000 1.154 405 A CA 0.943 53.009 52.037 0.047 0.000 0.753 405 A CB -0.012 19.026 19.000 0.063 0.000 0.826 405 A HN 0.361 nan 8.150 nan 0.000 0.469 406 A N -0.435 122.402 122.820 0.029 0.000 1.878 406 A HA 0.131 4.452 4.320 0.001 0.000 0.213 406 A C 1.973 179.567 177.584 0.018 0.000 1.192 406 A CA 1.229 53.279 52.037 0.022 0.000 0.619 406 A CB -0.874 18.138 19.000 0.020 0.000 0.837 406 A HN 0.352 nan 8.150 nan 0.000 0.446 407 V N 0.561 120.485 119.914 0.016 0.000 2.613 407 V HA -0.328 3.793 4.120 0.001 0.000 0.259 407 V C 2.255 178.357 176.094 0.013 0.000 1.099 407 V CA 2.487 64.795 62.300 0.012 0.000 1.115 407 V CB -0.864 30.964 31.823 0.009 0.000 0.686 407 V HN 0.637 nan 8.190 nan 0.000 0.481 408 E N -0.853 119.357 120.200 0.016 0.000 2.162 408 E HA 0.006 4.357 4.350 0.001 0.000 0.193 408 E C 1.471 178.081 176.600 0.016 0.000 0.953 408 E CA 0.654 57.064 56.400 0.016 0.000 0.849 408 E CB 0.215 29.927 29.700 0.021 0.000 0.810 408 E HN 0.634 nan 8.360 nan 0.000 0.470 409 E N -0.376 119.834 120.200 0.017 0.000 2.846 409 E HA 0.231 4.582 4.350 0.001 0.000 0.211 409 E C -0.000 176.609 176.600 0.016 0.000 0.975 409 E CA 0.062 56.471 56.400 0.015 0.000 1.211 409 E CB 1.744 31.453 29.700 0.016 0.000 1.052 409 E HN 0.246 nan 8.360 nan 0.000 0.487 410 G N 1.147 109.956 108.800 0.016 0.000 2.725 410 G HA2 -0.211 3.750 3.960 0.001 0.000 0.220 410 G HA3 -0.211 3.750 3.960 0.001 0.000 0.220 410 G C -0.311 174.599 174.900 0.017 0.000 1.357 410 G CA -0.439 44.670 45.100 0.016 0.000 0.866 410 G HN 0.521 nan 8.290 nan 0.000 0.548 411 V N -2.422 117.502 119.914 0.017 0.000 3.074 411 V HA 1.000 5.120 4.120 0.001 0.000 0.314 411 V C 0.503 176.608 176.094 0.018 0.000 1.117 411 V CA 0.224 62.535 62.300 0.017 0.000 1.014 411 V CB 1.522 33.355 31.823 0.016 0.000 1.057 411 V HN 2.511 nan 8.190 nan 0.000 0.438 412 V N -0.918 119.007 119.914 0.019 0.000 3.188 412 V HA 0.968 5.089 4.120 0.001 0.000 0.305 412 V C 0.416 176.522 176.094 0.020 0.000 1.232 412 V CA -0.833 61.480 62.300 0.021 0.000 1.043 412 V CB 1.086 32.923 31.823 0.022 0.000 1.068 412 V HN 2.294 nan 8.190 nan 0.000 0.439 413 A N 0.851 123.686 122.820 0.025 0.000 2.572 413 A HA 0.411 4.731 4.320 0.001 0.000 0.256 413 A C 1.418 179.011 177.584 0.014 0.000 1.041 413 A CA 0.755 52.804 52.037 0.021 0.000 0.790 413 A CB -0.502 18.517 19.000 0.031 0.000 0.947 413 A HN 2.135 nan 8.150 nan 0.000 0.518 414 G N 2.030 110.832 108.800 0.003 0.000 2.985 414 G HA2 0.277 4.238 3.960 0.001 0.000 0.209 414 G HA3 0.277 4.238 3.960 0.001 0.000 0.209 414 G C 0.858 175.757 174.900 -0.002 0.000 1.165 414 G CA 0.675 45.775 45.100 -0.000 0.000 0.776 414 G HN 1.178 nan 8.290 nan 0.000 0.541 415 G N -0.115 108.685 108.800 0.000 0.000 3.440 415 G HA2 0.397 4.358 3.960 0.001 0.000 0.263 415 G HA3 0.397 4.358 3.960 0.001 0.000 0.263 415 G C 1.220 176.131 174.900 0.020 0.000 1.236 415 G CA 0.285 45.388 45.100 0.004 0.000 0.927 415 G HN 1.031 nan 8.290 nan 0.000 0.530 416 G N -0.520 108.290 108.800 0.017 0.000 2.212 416 G HA2 -0.364 3.597 3.960 0.001 0.000 0.267 416 G HA3 -0.364 3.597 3.960 0.001 0.000 0.267 416 G C 1.274 176.190 174.900 0.028 0.000 1.002 416 G CA 0.688 45.801 45.100 0.022 0.000 0.729 416 G HN 0.565 nan 8.290 nan 0.000 0.517 417 V N 0.320 120.251 119.914 0.028 0.000 2.295 417 V HA -0.106 4.014 4.120 0.001 0.000 0.246 417 V C 3.276 179.393 176.094 0.038 0.000 1.049 417 V CA 2.886 65.208 62.300 0.035 0.000 1.024 417 V CB -1.355 30.486 31.823 0.030 0.000 0.648 417 V HN 0.955 nan 8.190 nan 0.000 0.447 418 A N 0.218 123.057 122.820 0.032 0.000 1.884 418 A HA -0.231 4.090 4.320 0.001 0.000 0.219 418 A C 2.241 179.844 177.584 0.031 0.000 1.197 418 A CA 2.169 54.225 52.037 0.032 0.000 0.637 418 A CB -0.717 18.299 19.000 0.026 0.000 0.827 418 A HN 0.386 nan 8.150 nan 0.000 0.450 419 L N -0.357 120.882 121.223 0.027 0.000 2.012 419 L HA -0.153 4.187 4.340 0.001 0.000 0.210 419 L C 2.551 179.437 176.870 0.027 0.000 1.073 419 L CA 1.547 56.401 54.840 0.025 0.000 0.748 419 L CB -1.114 40.959 42.059 0.023 0.000 0.891 419 L HN 0.362 nan 8.230 nan 0.000 0.431 420 I N -0.442 120.146 120.570 0.031 0.000 2.151 420 I HA -0.347 3.824 4.170 0.001 0.000 0.243 420 I C 2.723 178.863 176.117 0.038 0.000 1.080 420 I CA 1.218 62.539 61.300 0.034 0.000 1.339 420 I CB -0.579 37.445 38.000 0.040 0.000 1.039 420 I HN 0.324 nan 8.210 nan 0.000 0.409 421 R N 1.132 121.659 120.500 0.045 0.000 2.088 421 R HA -0.186 4.155 4.340 0.001 0.000 0.232 421 R C 2.372 178.693 176.300 0.035 0.000 1.136 421 R CA 2.685 58.814 56.100 0.048 0.000 0.926 421 R CB -0.795 29.537 30.300 0.055 0.000 0.837 421 R HN 0.343 nan 8.270 nan 0.000 0.429 422 V N -1.171 118.761 119.914 0.030 0.000 2.343 422 V HA -0.097 4.023 4.120 0.001 0.000 0.247 422 V C 2.165 178.271 176.094 0.020 0.000 1.051 422 V CA 1.950 64.264 62.300 0.023 0.000 1.036 422 V CB -1.292 30.543 31.823 0.020 0.000 0.654 422 V HN 0.416 nan 8.190 nan 0.000 0.451 423 A N 1.347 124.179 122.820 0.020 0.000 2.019 423 A HA -0.135 4.185 4.320 0.001 0.000 0.219 423 A C 2.588 180.183 177.584 0.018 0.000 1.164 423 A CA 2.410 54.458 52.037 0.017 0.000 0.644 423 A CB -0.940 18.070 19.000 0.018 0.000 0.805 423 A HN 1.020 nan 8.150 nan 0.000 0.449 424 S N -0.289 115.424 115.700 0.022 0.000 2.406 424 S HA -0.102 4.369 4.470 0.001 0.000 0.228 424 S C 1.845 176.456 174.600 0.018 0.000 1.020 424 S CA 1.146 59.358 58.200 0.021 0.000 0.965 424 S CB -0.273 62.944 63.200 0.028 0.000 0.798 424 S HN 0.587 nan 8.310 nan 0.000 0.488 425 K N 1.246 121.657 120.400 0.019 0.000 1.985 425 K HA -0.019 4.301 4.320 0.001 0.000 0.210 425 K C 0.998 177.605 176.600 0.012 0.000 1.047 425 K CA 1.487 57.783 56.287 0.015 0.000 0.932 425 K CB -0.641 31.869 32.500 0.016 0.000 0.716 425 K HN 0.493 nan 8.250 nan 0.000 0.439 426 L N -0.550 120.680 121.223 0.011 0.000 2.955 426 L HA 0.302 4.642 4.340 0.001 0.000 0.238 426 L C 1.109 177.984 176.870 0.008 0.000 1.359 426 L CA -0.066 54.779 54.840 0.009 0.000 1.214 426 L CB 0.112 42.176 42.059 0.008 0.000 1.600 426 L HN -0.076 nan 8.230 nan 0.000 0.442 427 A N -1.134 121.691 122.820 0.008 0.000 2.208 427 A HA 0.002 4.323 4.320 0.001 0.000 0.209 427 A C 1.656 179.243 177.584 0.005 0.000 1.161 427 A CA 0.632 52.673 52.037 0.007 0.000 0.782 427 A CB -0.159 18.846 19.000 0.008 0.000 0.816 427 A HN 0.441 nan 8.150 nan 0.000 0.477 428 D N -0.834 119.569 120.400 0.005 0.000 2.271 428 D HA 0.047 4.688 4.640 0.001 0.000 0.206 428 D C 0.611 176.913 176.300 0.003 0.000 0.967 428 D CA -0.069 53.933 54.000 0.004 0.000 0.867 428 D CB -0.294 40.508 40.800 0.003 0.000 0.960 428 D HN 0.311 nan 8.370 nan 0.000 0.509 429 L N 2.297 123.522 121.223 0.004 0.000 2.822 429 L HA -0.162 4.179 4.340 0.001 0.000 0.288 429 L C 0.319 177.191 176.870 0.003 0.000 1.182 429 L CA 0.819 55.661 54.840 0.003 0.000 0.936 429 L CB -0.002 42.059 42.059 0.004 0.000 1.269 429 L HN -0.176 nan 8.230 nan 0.000 0.476 430 R N 3.147 123.649 120.500 0.002 0.000 2.943 430 R HA 0.864 5.205 4.340 0.001 0.000 0.246 430 R C 0.148 176.449 176.300 0.002 0.000 1.201 430 R CA -0.327 55.774 56.100 0.002 0.000 1.056 430 R CB 1.271 31.572 30.300 0.002 0.000 1.243 430 R HN 0.764 nan 8.270 nan 0.000 0.498 431 G N -0.449 108.352 108.800 0.002 0.000 3.166 431 G HA2 0.350 4.311 3.960 0.001 0.000 0.267 431 G HA3 0.350 4.311 3.960 0.001 0.000 0.267 431 G C -0.464 174.437 174.900 0.001 0.000 1.256 431 G CA -0.163 44.938 45.100 0.002 0.000 0.859 431 G HN 0.317 nan 8.290 nan 0.000 0.590 432 Q N -0.368 119.433 119.800 0.001 0.000 2.389 432 Q HA 0.194 4.534 4.340 0.001 0.000 0.201 432 Q C 1.126 177.127 176.000 0.001 0.000 0.956 432 Q CA 0.029 55.832 55.803 0.001 0.000 0.871 432 Q CB -0.137 28.602 28.738 0.001 0.000 0.990 432 Q HN 0.532 nan 8.270 nan 0.000 0.554 433 N N 1.299 120.000 118.700 0.001 0.000 2.454 433 N HA -0.064 4.677 4.740 0.001 0.000 0.254 433 N C 0.347 175.858 175.510 0.001 0.000 1.228 433 N CA -0.015 53.036 53.050 0.001 0.000 0.900 433 N CB 0.606 39.094 38.487 0.002 0.000 1.089 433 N HN 0.265 nan 8.380 nan 0.000 0.449 434 E N 1.351 121.552 120.200 0.001 0.000 2.409 434 E HA -0.157 4.194 4.350 0.001 0.000 0.198 434 E C 0.248 176.849 176.600 0.002 0.000 1.024 434 E CA 0.814 57.214 56.400 0.001 0.000 0.861 434 E CB 0.140 29.840 29.700 0.001 0.000 0.788 434 E HN 0.542 nan 8.360 nan 0.000 0.521 435 D N 1.225 121.626 120.400 0.002 0.000 2.178 435 D HA -0.160 4.480 4.640 0.001 0.000 0.202 435 D C 1.787 178.088 176.300 0.003 0.000 0.974 435 D CA 0.986 54.987 54.000 0.002 0.000 0.841 435 D CB -0.063 40.738 40.800 0.002 0.000 0.953 435 D HN 0.337 nan 8.370 nan 0.000 0.478 436 Q N -0.097 119.705 119.800 0.003 0.000 2.311 436 Q HA -0.045 4.296 4.340 0.001 0.000 0.203 436 Q C 1.559 177.561 176.000 0.003 0.000 0.954 436 Q CA 0.456 56.260 55.803 0.003 0.000 0.885 436 Q CB 0.291 29.031 28.738 0.002 0.000 0.963 436 Q HN 0.119 nan 8.270 nan 0.000 0.471 437 N N -0.390 118.312 118.700 0.003 0.000 2.135 437 N HA -0.123 4.618 4.740 0.001 0.000 0.186 437 N C 1.742 177.254 175.510 0.003 0.000 1.027 437 N CA 0.935 53.987 53.050 0.003 0.000 0.849 437 N CB -0.343 38.146 38.487 0.002 0.000 1.002 437 N HN 0.038 nan 8.380 nan 0.000 0.425 438 V N 1.184 121.100 119.914 0.003 0.000 2.370 438 V HA -0.234 3.887 4.120 0.001 0.000 0.252 438 V C 2.344 178.441 176.094 0.004 0.000 1.068 438 V CA 2.149 64.451 62.300 0.004 0.000 1.061 438 V CB -1.212 30.613 31.823 0.003 0.000 0.656 438 V HN 0.389 nan 8.190 nan 0.000 0.455 439 G N -0.297 108.506 108.800 0.005 0.000 2.418 439 G HA2 -0.211 3.750 3.960 0.001 0.000 0.217 439 G HA3 -0.211 3.750 3.960 0.001 0.000 0.217 439 G C 1.504 176.408 174.900 0.005 0.000 1.158 439 G CA 1.127 46.230 45.100 0.005 0.000 0.771 439 G HN 0.529 nan 8.290 nan 0.000 0.545 440 I N 0.242 120.815 120.570 0.005 0.000 2.163 440 I HA -0.086 4.085 4.170 0.001 0.000 0.240 440 I C 2.699 178.819 176.117 0.006 0.000 1.081 440 I CA 1.112 62.415 61.300 0.005 0.000 1.353 440 I CB -0.182 37.821 38.000 0.004 0.000 1.054 440 I HN -0.061 nan 8.210 nan 0.000 0.407 441 K N 0.857 121.260 120.400 0.005 0.000 2.113 441 K HA -0.119 4.202 4.320 0.001 0.000 0.208 441 K C 2.029 178.633 176.600 0.006 0.000 1.047 441 K CA 1.046 57.336 56.287 0.006 0.000 0.928 441 K CB -0.861 31.642 32.500 0.005 0.000 0.716 441 K HN 0.118 nan 8.250 nan 0.000 0.446 442 V N 0.673 120.590 119.914 0.006 0.000 2.252 442 V HA -0.327 3.793 4.120 0.001 0.000 0.249 442 V C 2.185 178.284 176.094 0.008 0.000 1.056 442 V CA 2.276 64.580 62.300 0.007 0.000 1.022 442 V CB -0.772 31.055 31.823 0.007 0.000 0.641 442 V HN 0.415 nan 8.190 nan 0.000 0.445 443 A N -1.238 121.587 122.820 0.008 0.000 1.968 443 A HA -0.024 4.296 4.320 0.001 0.000 0.217 443 A C 2.191 179.781 177.584 0.010 0.000 1.169 443 A CA 1.227 53.270 52.037 0.009 0.000 0.638 443 A CB -0.349 18.656 19.000 0.008 0.000 0.812 443 A HN 0.493 nan 8.150 nan 0.000 0.446 444 L N -1.241 119.987 121.223 0.009 0.000 2.044 444 L HA -0.109 4.231 4.340 0.001 0.000 0.205 444 L C 2.771 179.647 176.870 0.011 0.000 1.075 444 L CA 1.541 56.386 54.840 0.010 0.000 0.747 444 L CB -0.393 41.671 42.059 0.009 0.000 0.903 444 L HN 0.410 nan 8.230 nan 0.000 0.435 445 R N 0.104 120.610 120.500 0.009 0.000 2.159 445 R HA -0.159 4.181 4.340 0.001 0.000 0.237 445 R C 2.119 178.425 176.300 0.010 0.000 1.131 445 R CA 1.205 57.310 56.100 0.009 0.000 0.982 445 R CB -0.123 30.182 30.300 0.007 0.000 0.868 445 R HN 0.360 nan 8.270 nan 0.000 0.453 446 A N 0.006 122.832 122.820 0.011 0.000 2.119 446 A HA -0.070 4.250 4.320 0.001 0.000 0.217 446 A C 1.873 179.465 177.584 0.014 0.000 1.153 446 A CA 0.893 52.937 52.037 0.012 0.000 0.692 446 A CB -0.178 18.830 19.000 0.013 0.000 0.799 446 A HN 0.318 nan 8.150 nan 0.000 0.458 447 M N -0.510 119.098 119.600 0.014 0.000 2.541 447 M HA -0.001 4.479 4.480 0.001 0.000 0.252 447 M C 0.992 177.302 176.300 0.017 0.000 1.125 447 M CA 0.590 55.900 55.300 0.016 0.000 1.091 447 M CB -0.056 32.553 32.600 0.016 0.000 1.420 447 M HN 0.437 nan 8.290 nan 0.000 0.486 448 E N 0.752 120.960 120.200 0.015 0.000 2.502 448 E HA 0.067 4.417 4.350 0.001 0.000 0.194 448 E C 1.863 178.471 176.600 0.012 0.000 1.062 448 E CA 0.361 56.769 56.400 0.014 0.000 0.867 448 E CB 0.019 29.726 29.700 0.011 0.000 0.888 448 E HN 0.451 nan 8.360 nan 0.000 0.510 449 A N 2.696 125.524 122.820 0.012 0.000 1.858 449 A HA -0.095 4.226 4.320 0.001 0.000 0.216 449 A C -0.194 177.397 177.584 0.012 0.000 1.190 449 A CA 1.087 53.130 52.037 0.011 0.000 0.617 449 A CB -1.326 17.681 19.000 0.011 0.000 0.827 449 A HN 0.138 nan 8.150 nan 0.000 0.443 450 P HA -0.151 nan 4.420 nan 0.000 0.214 450 P C 1.781 179.091 177.300 0.018 0.000 1.163 450 P CA 1.025 64.134 63.100 0.015 0.000 0.883 450 P CB -0.113 31.596 31.700 0.016 0.000 0.788 451 L N -0.277 120.958 121.223 0.021 0.000 1.971 451 L HA -0.207 4.133 4.340 0.001 0.000 0.215 451 L C 2.389 179.268 176.870 0.015 0.000 1.072 451 L CA 2.026 56.882 54.840 0.026 0.000 0.758 451 L CB -0.754 41.323 42.059 0.030 0.000 0.889 451 L HN -0.262 nan 8.230 nan 0.000 0.433 452 R N -1.145 119.358 120.500 0.006 0.000 2.159 452 R HA -0.225 4.116 4.340 0.001 0.000 0.237 452 R C 2.284 178.584 176.300 -0.000 0.000 1.131 452 R CA 1.587 57.684 56.100 -0.005 0.000 0.982 452 R CB -0.252 30.045 30.300 -0.004 0.000 0.868 452 R HN 0.505 nan 8.270 nan 0.000 0.453 453 Q N 0.399 120.203 119.800 0.007 0.000 2.089 453 Q HA -0.005 4.335 4.340 0.001 0.000 0.195 453 Q C 1.802 177.810 176.000 0.013 0.000 0.963 453 Q CA 1.300 57.108 55.803 0.008 0.000 0.834 453 Q CB 0.054 28.797 28.738 0.008 0.000 0.906 453 Q HN 0.227 nan 8.270 nan 0.000 0.452 454 I N -0.005 120.577 120.570 0.020 0.000 2.118 454 I HA -0.298 3.873 4.170 0.001 0.000 0.241 454 I C 2.154 178.298 176.117 0.045 0.000 1.070 454 I CA 1.228 62.546 61.300 0.031 0.000 1.327 454 I CB -1.117 36.907 38.000 0.041 0.000 1.034 454 I HN 0.100 nan 8.210 nan 0.000 0.405 455 V N 0.950 120.893 119.914 0.048 0.000 2.324 455 V HA -0.295 3.826 4.120 0.001 0.000 0.250 455 V C 2.571 178.676 176.094 0.018 0.000 1.060 455 V CA 1.947 64.270 62.300 0.038 0.000 1.042 455 V CB -0.567 31.223 31.823 -0.054 0.000 0.650 455 V HN 0.312 nan 8.190 nan 0.000 0.450 456 L N 0.529 121.756 121.223 0.007 0.000 2.005 456 L HA -0.140 4.201 4.340 0.001 0.000 0.207 456 L C 2.193 179.068 176.870 0.009 0.000 1.072 456 L CA 1.880 56.722 54.840 0.003 0.000 0.744 456 L CB -0.824 41.236 42.059 0.000 0.000 0.895 456 L HN 0.340 nan 8.230 nan 0.000 0.433 457 N N -1.138 117.568 118.700 0.011 0.000 2.484 457 N HA -0.222 4.519 4.740 0.001 0.000 0.193 457 N C 1.367 176.886 175.510 0.014 0.000 1.033 457 N CA 1.536 54.592 53.050 0.011 0.000 0.906 457 N CB -0.705 37.788 38.487 0.010 0.000 0.947 457 N HN 0.441 nan 8.380 nan 0.000 0.448 458 C N -1.717 117.596 119.300 0.023 0.000 3.183 458 C HA 0.423 4.883 4.460 0.001 0.000 0.285 458 C C 1.593 176.598 174.990 0.025 0.000 1.313 458 C CA -0.076 58.959 59.018 0.028 0.000 1.711 458 C CB -0.579 27.195 27.740 0.055 0.000 2.135 458 C HN 0.555 nan 8.230 nan 0.000 0.651 459 G N 1.743 110.553 108.800 0.017 0.000 2.160 459 G HA2 -0.174 3.787 3.960 0.001 0.000 0.251 459 G HA3 -0.174 3.787 3.960 0.001 0.000 0.251 459 G C -0.306 174.600 174.900 0.011 0.000 1.008 459 G CA 0.200 45.307 45.100 0.011 0.000 0.724 459 G HN 0.530 nan 8.290 nan 0.000 0.514 460 E N 0.571 120.777 120.200 0.009 0.000 2.248 460 E HA 0.366 4.717 4.350 0.001 0.000 0.272 460 E C 0.386 176.967 176.600 -0.031 0.000 1.008 460 E CA -0.817 55.579 56.400 -0.007 0.000 0.856 460 E CB 0.760 30.456 29.700 -0.005 0.000 1.120 460 E HN 0.304 nan 8.360 nan 0.000 0.397 461 E N 2.523 122.700 120.200 -0.038 0.000 2.558 461 E HA -0.042 4.309 4.350 0.001 0.000 0.255 461 E C -1.707 174.854 176.600 -0.065 0.000 0.968 461 E CA -0.876 55.499 56.400 -0.041 0.000 0.939 461 E CB 0.389 30.066 29.700 -0.037 0.000 0.921 461 E HN 0.247 nan 8.360 nan 0.000 0.477 462 P HA -0.093 nan 4.420 nan 0.000 0.210 462 P C 1.352 178.620 177.300 -0.053 0.000 1.173 462 P CA 1.180 64.245 63.100 -0.058 0.000 0.898 462 P CB -0.075 31.606 31.700 -0.033 0.000 0.758 463 S N 0.048 115.728 115.700 -0.032 0.000 2.570 463 S HA -0.308 4.162 4.470 0.001 0.000 0.328 463 S C 2.013 176.595 174.600 -0.030 0.000 1.282 463 S CA 2.548 60.733 58.200 -0.025 0.000 1.204 463 S CB -2.235 60.955 63.200 -0.018 0.000 1.271 463 S HN -0.019 nan 8.310 nan 0.000 0.449 464 V N 1.558 121.450 119.914 -0.037 0.000 2.261 464 V HA -0.138 3.982 4.120 0.001 0.000 0.246 464 V C 2.697 178.763 176.094 -0.047 0.000 1.047 464 V CA 1.933 64.212 62.300 -0.035 0.000 1.015 464 V CB -0.741 31.063 31.823 -0.030 0.000 0.642 464 V HN 0.532 nan 8.190 nan 0.000 0.446 465 V N -0.051 119.798 119.914 -0.109 0.000 2.295 465 V HA -0.268 3.853 4.120 0.001 0.000 0.246 465 V C 2.655 178.715 176.094 -0.056 0.000 1.049 465 V CA 2.133 64.332 62.300 -0.168 0.000 1.024 465 V CB -0.999 30.515 31.823 -0.514 0.000 0.648 465 V HN 0.580 nan 8.190 nan 0.000 0.447 466 A N 0.585 123.374 122.820 -0.051 0.000 1.865 466 A HA -0.329 3.992 4.320 0.001 0.000 0.217 466 A C 2.047 179.639 177.584 0.012 0.000 1.191 466 A CA 2.452 54.484 52.037 -0.009 0.000 0.623 466 A CB -1.062 17.932 19.000 -0.009 0.000 0.826 466 A HN 0.720 nan 8.150 nan 0.000 0.444 467 N N -0.381 118.320 118.700 0.001 0.000 2.137 467 N HA -0.214 4.527 4.740 0.001 0.000 0.190 467 N C 1.738 177.255 175.510 0.012 0.000 1.017 467 N CA 3.028 56.081 53.050 0.005 0.000 0.859 467 N CB -0.461 38.023 38.487 -0.005 0.000 1.002 467 N HN 0.527 nan 8.380 nan 0.000 0.428 468 T N -2.239 112.316 114.554 0.003 0.000 2.857 468 T HA -0.017 4.333 4.350 0.001 0.000 0.266 468 T C 1.909 176.653 174.700 0.073 0.000 1.048 468 T CA 1.286 63.373 62.100 -0.022 0.000 1.139 468 T CB -0.758 67.995 68.868 -0.192 0.000 0.874 468 T HN 0.022 nan 8.240 nan 0.000 0.455 469 V N 1.754 121.738 119.914 0.118 0.000 2.490 469 V HA -0.117 4.004 4.120 0.001 0.000 0.250 469 V C 2.849 179.038 176.094 0.158 0.000 1.061 469 V CA 1.751 64.140 62.300 0.148 0.000 1.064 469 V CB -0.602 31.288 31.823 0.111 0.000 0.670 469 V HN 0.531 nan 8.190 nan 0.000 0.461 470 K N 0.356 120.816 120.400 0.100 0.000 2.062 470 K HA -0.059 4.261 4.320 0.001 0.000 0.205 470 K C 2.149 178.796 176.600 0.078 0.000 1.051 470 K CA 1.341 57.674 56.287 0.077 0.000 0.941 470 K CB -0.581 31.946 32.500 0.045 0.000 0.719 470 K HN 0.548 nan 8.250 nan 0.000 0.440 471 G N 1.077 109.918 108.800 0.069 0.000 2.653 471 G HA2 -0.081 3.880 3.960 0.001 0.000 0.212 471 G HA3 -0.081 3.880 3.960 0.001 0.000 0.212 471 G C 0.670 175.591 174.900 0.034 0.000 1.138 471 G CA 0.596 45.720 45.100 0.039 0.000 0.782 471 G HN 0.327 nan 8.290 nan 0.000 0.535 472 G N -1.134 107.732 108.800 0.109 0.000 2.606 472 G HA2 0.530 4.491 3.960 0.001 0.000 0.262 472 G HA3 0.530 4.491 3.960 0.001 0.000 0.262 472 G C -0.989 173.940 174.900 0.048 0.000 1.394 472 G CA -0.500 44.625 45.100 0.041 0.000 1.044 472 G HN 0.128 nan 8.290 nan 0.000 0.553 473 D N -1.999 118.421 120.400 0.033 0.000 2.559 473 D HA 0.517 5.158 4.640 0.001 0.000 0.250 473 D C 0.781 177.134 176.300 0.087 0.000 1.135 473 D CA 0.657 54.686 54.000 0.047 0.000 0.955 473 D CB 2.005 42.805 40.800 0.000 0.000 1.442 473 D HN 0.883 nan 8.370 nan 0.000 0.471 474 G N 1.271 110.112 108.800 0.068 0.000 2.596 474 G HA2 -0.300 3.661 3.960 0.001 0.000 0.295 474 G HA3 -0.300 3.661 3.960 0.001 0.000 0.295 474 G C 0.212 175.171 174.900 0.099 0.000 1.240 474 G CA -0.100 45.043 45.100 0.071 0.000 0.985 474 G HN 0.558 nan 8.290 nan 0.000 0.555 475 N N 0.628 119.390 118.700 0.103 0.000 2.575 475 N HA 0.218 4.959 4.740 0.001 0.000 0.275 475 N C -0.338 175.268 175.510 0.160 0.000 1.202 475 N CA 0.089 53.204 53.050 0.107 0.000 0.945 475 N CB 0.146 38.678 38.487 0.074 0.000 1.247 475 N HN 0.464 nan 8.380 nan 0.000 0.510 476 Y N 0.695 121.027 120.300 0.054 0.000 2.304 476 Y HA 0.548 5.098 4.550 0.001 0.000 0.328 476 Y C 0.578 176.544 175.900 0.110 0.000 1.123 476 Y CA -0.378 57.768 58.100 0.077 0.000 1.218 476 Y CB 0.758 39.260 38.460 0.070 0.000 1.207 476 Y HN 0.155 nan 8.280 nan 0.000 0.495 477 G N 3.748 112.302 108.800 -0.411 0.000 2.600 477 G HA2 0.268 4.229 3.960 0.001 0.000 0.293 477 G HA3 0.268 4.229 3.960 0.001 0.000 0.293 477 G C -2.545 172.226 174.900 -0.215 0.000 1.408 477 G CA -0.976 43.983 45.100 -0.234 0.000 0.782 477 G HN 0.622 nan 8.290 nan 0.000 0.482 478 Y N 1.394 121.549 120.300 -0.242 0.000 2.320 478 Y HA 0.622 5.172 4.550 0.001 0.000 0.334 478 Y C -0.093 175.629 175.900 -0.296 0.000 1.055 478 Y CA -1.251 56.585 58.100 -0.440 0.000 1.143 478 Y CB 1.561 39.758 38.460 -0.439 0.000 1.193 478 Y HN 0.480 nan 8.280 nan 0.000 0.477 479 N N 4.809 123.053 118.700 -0.759 0.000 2.462 479 N HA 0.255 4.995 4.740 0.001 0.000 0.242 479 N C 0.247 175.215 175.510 -0.905 0.000 1.010 479 N CA 0.311 53.014 53.050 -0.577 0.000 0.939 479 N CB 1.341 39.613 38.487 -0.357 0.000 1.127 479 N HN 0.849 nan 8.380 nan 0.000 0.509 480 A N 3.791 126.228 122.820 -0.638 0.000 2.015 480 A HA -0.000 4.320 4.320 0.001 0.000 0.219 480 A C 2.019 179.436 177.584 -0.278 0.000 1.163 480 A CA 1.571 53.344 52.037 -0.440 0.000 0.646 480 A CB -0.719 18.245 19.000 -0.059 0.000 0.806 480 A HN 0.750 nan 8.150 nan 0.000 0.448 481 A N -0.474 122.209 122.820 -0.227 0.000 1.972 481 A HA -0.053 4.267 4.320 0.001 0.000 0.219 481 A C 2.190 179.681 177.584 -0.155 0.000 1.169 481 A CA 2.292 54.241 52.037 -0.146 0.000 0.635 481 A CB -0.748 18.186 19.000 -0.109 0.000 0.810 481 A HN 0.863 nan 8.150 nan 0.000 0.446 482 T N -3.703 110.717 114.554 -0.223 0.000 3.040 482 T HA 0.248 4.598 4.350 0.001 0.000 0.266 482 T C 0.249 174.822 174.700 -0.212 0.000 1.005 482 T CA 0.677 62.673 62.100 -0.174 0.000 0.906 482 T CB -0.239 68.543 68.868 -0.145 0.000 1.082 482 T HN 0.611 nan 8.240 nan 0.000 0.531 483 E N -0.054 119.935 120.200 -0.353 0.000 2.805 483 E HA -0.231 4.120 4.350 0.001 0.000 0.266 483 E C -0.402 175.994 176.600 -0.340 0.000 1.092 483 E CA 0.877 57.057 56.400 -0.366 0.000 0.781 483 E CB -2.230 27.450 29.700 -0.034 0.000 1.379 483 E HN 0.719 nan 8.360 nan 0.000 0.433 484 E N -0.550 119.410 120.200 -0.399 0.000 2.212 484 E HA 0.509 4.860 4.350 0.001 0.000 0.270 484 E C -0.690 175.712 176.600 -0.331 0.000 0.956 484 E CA -0.652 55.611 56.400 -0.227 0.000 0.825 484 E CB 0.873 30.519 29.700 -0.091 0.000 1.167 484 E HN 0.080 nan 8.360 nan 0.000 0.400 485 Y N 0.160 120.459 120.300 -0.003 0.000 2.376 485 Y HA 0.721 5.272 4.550 0.001 0.000 0.325 485 Y C 0.913 176.811 175.900 -0.003 0.000 1.199 485 Y CA 0.028 58.090 58.100 -0.063 0.000 1.206 485 Y CB 2.012 40.459 38.460 -0.023 0.000 1.229 485 Y HN 0.629 nan 8.280 nan 0.000 0.480 486 G N 0.723 109.580 108.800 0.095 0.000 2.356 486 G HA2 0.007 3.967 3.960 0.001 0.000 0.281 486 G HA3 0.007 3.967 3.960 0.001 0.000 0.281 486 G C -1.900 173.123 174.900 0.205 0.000 1.246 486 G CA -1.119 44.113 45.100 0.220 0.000 0.889 486 G HN 0.535 nan 8.290 nan 0.000 0.486 487 N N 1.184 119.987 118.700 0.172 0.000 2.439 487 N HA 0.162 4.903 4.740 0.001 0.000 0.249 487 N C 1.633 177.181 175.510 0.064 0.000 1.003 487 N CA -0.581 52.557 53.050 0.147 0.000 0.942 487 N CB 0.842 39.402 38.487 0.120 0.000 1.115 487 N HN 0.412 nan 8.380 nan 0.000 0.505 488 M N 3.271 122.895 119.600 0.040 0.000 2.202 488 M HA -0.173 4.308 4.480 0.001 0.000 0.262 488 M C 1.661 177.966 176.300 0.007 0.000 1.063 488 M CA 1.290 56.591 55.300 0.002 0.000 1.097 488 M CB -0.471 32.125 32.600 -0.006 0.000 1.382 488 M HN 0.573 nan 8.290 nan 0.000 0.413 489 I N 0.449 121.033 120.570 0.023 0.000 2.439 489 I HA -0.259 3.912 4.170 0.001 0.000 0.251 489 I C 1.846 177.972 176.117 0.014 0.000 1.139 489 I CA 1.137 62.448 61.300 0.018 0.000 1.438 489 I CB -0.305 37.710 38.000 0.024 0.000 1.085 489 I HN 0.204 nan 8.210 nan 0.000 0.427 490 D N 0.375 120.788 120.400 0.022 0.000 2.183 490 D HA -0.079 4.562 4.640 0.001 0.000 0.203 490 D C 2.009 178.313 176.300 0.008 0.000 0.969 490 D CA 1.191 55.202 54.000 0.018 0.000 0.842 490 D CB -0.128 40.689 40.800 0.028 0.000 0.957 490 D HN 0.334 nan 8.370 nan 0.000 0.484 491 M N -0.267 119.333 119.600 0.001 0.000 2.682 491 M HA 0.165 4.646 4.480 0.001 0.000 0.235 491 M C 0.980 177.267 176.300 -0.023 0.000 1.114 491 M CA 0.381 55.671 55.300 -0.017 0.000 1.053 491 M CB 0.113 32.691 32.600 -0.036 0.000 1.599 491 M HN -0.044 nan 8.290 nan 0.000 0.520 492 G N 2.005 110.798 108.800 -0.012 0.000 2.305 492 G HA2 -0.217 3.743 3.960 0.001 0.000 0.287 492 G HA3 -0.217 3.743 3.960 0.001 0.000 0.287 492 G C -0.189 174.699 174.900 -0.020 0.000 1.036 492 G CA -0.166 44.927 45.100 -0.013 0.000 0.887 492 G HN 0.437 nan 8.290 nan 0.000 0.505 493 I N 0.893 121.449 120.570 -0.024 0.000 2.557 493 I HA 0.437 4.608 4.170 0.001 0.000 0.277 493 I C 0.166 176.273 176.117 -0.015 0.000 1.106 493 I CA -1.383 59.900 61.300 -0.029 0.000 1.180 493 I CB 0.164 38.135 38.000 -0.049 0.000 1.392 493 I HN 0.258 nan 8.210 nan 0.000 0.506 494 L N 1.702 122.921 121.223 -0.007 0.000 2.381 494 L HA 0.771 5.112 4.340 0.001 0.000 0.268 494 L C -0.482 176.391 176.870 0.004 0.000 0.997 494 L CA -0.551 54.290 54.840 0.002 0.000 0.818 494 L CB 1.541 43.604 42.059 0.006 0.000 1.310 494 L HN -0.016 nan 8.230 nan 0.000 0.416 495 D N 1.708 122.113 120.400 0.008 0.000 2.229 495 D HA 0.472 5.112 4.640 0.001 0.000 0.249 495 D C -2.456 173.853 176.300 0.015 0.000 1.027 495 D CA -1.381 52.625 54.000 0.011 0.000 0.923 495 D CB 1.492 42.299 40.800 0.011 0.000 1.174 495 D HN 0.418 nan 8.370 nan 0.000 0.443 496 P HA 0.081 nan 4.420 nan 0.000 0.269 496 P C 0.655 177.968 177.300 0.022 0.000 1.215 496 P CA -0.034 63.080 63.100 0.022 0.000 0.780 496 P CB 0.633 32.350 31.700 0.028 0.000 0.898 497 T N 0.924 115.491 114.554 0.021 0.000 2.812 497 T HA -0.141 4.209 4.350 0.001 0.000 0.264 497 T C 1.653 176.366 174.700 0.022 0.000 1.042 497 T CA 1.157 63.269 62.100 0.020 0.000 1.140 497 T CB -0.386 68.493 68.868 0.017 0.000 0.870 497 T HN 0.443 nan 8.240 nan 0.000 0.445 498 K N 1.043 121.458 120.400 0.025 0.000 2.071 498 K HA -0.207 4.114 4.320 0.001 0.000 0.217 498 K C 2.323 178.945 176.600 0.036 0.000 1.054 498 K CA 2.079 58.384 56.287 0.030 0.000 0.937 498 K CB -0.666 31.856 32.500 0.037 0.000 0.719 498 K HN 0.301 nan 8.250 nan 0.000 0.454 499 V N -0.631 119.304 119.914 0.035 0.000 2.323 499 V HA -0.182 3.939 4.120 0.001 0.000 0.244 499 V C 1.767 177.884 176.094 0.038 0.000 1.041 499 V CA 2.447 64.770 62.300 0.038 0.000 1.025 499 V CB -0.872 30.966 31.823 0.025 0.000 0.656 499 V HN 0.443 nan 8.190 nan 0.000 0.451 500 T N 0.753 115.324 114.554 0.029 0.000 2.759 500 T HA -0.204 4.147 4.350 0.001 0.000 0.269 500 T C 1.939 176.656 174.700 0.028 0.000 1.042 500 T CA 2.261 64.377 62.100 0.027 0.000 1.140 500 T CB -0.416 68.465 68.868 0.022 0.000 0.864 500 T HN 0.703 nan 8.240 nan 0.000 0.455 501 R N 0.991 121.504 120.500 0.022 0.000 2.062 501 R HA -0.067 4.274 4.340 0.001 0.000 0.231 501 R C 2.537 178.844 176.300 0.012 0.000 1.136 501 R CA 1.811 57.917 56.100 0.010 0.000 0.948 501 R CB -0.527 29.773 30.300 0.000 0.000 0.845 501 R HN 0.216 nan 8.270 nan 0.000 0.430 502 S N 1.101 116.823 115.700 0.036 0.000 2.359 502 S HA -0.228 4.243 4.470 0.001 0.000 0.223 502 S C 2.141 176.844 174.600 0.171 0.000 1.039 502 S CA 1.462 59.715 58.200 0.088 0.000 1.042 502 S CB -0.548 62.758 63.200 0.177 0.000 0.915 502 S HN 0.609 nan 8.310 nan 0.000 0.439 503 A N 1.527 124.426 122.820 0.131 0.000 1.884 503 A HA -0.148 4.173 4.320 0.001 0.000 0.219 503 A C 2.150 179.794 177.584 0.100 0.000 1.197 503 A CA 1.641 53.748 52.037 0.118 0.000 0.637 503 A CB -0.953 18.086 19.000 0.066 0.000 0.827 503 A HN 0.470 nan 8.150 nan 0.000 0.450 504 L N -1.151 120.105 121.223 0.055 0.000 2.083 504 L HA -0.246 4.095 4.340 0.001 0.000 0.209 504 L C 2.831 179.713 176.870 0.019 0.000 1.083 504 L CA 1.947 56.807 54.840 0.033 0.000 0.752 504 L CB -0.386 41.682 42.059 0.014 0.000 0.899 504 L HN 0.565 nan 8.230 nan 0.000 0.433 505 Q N -1.785 118.002 119.800 -0.022 0.000 2.137 505 Q HA -0.188 4.153 4.340 0.001 0.000 0.198 505 Q C 1.971 177.923 176.000 -0.080 0.000 0.960 505 Q CA 1.344 57.084 55.803 -0.106 0.000 0.847 505 Q CB 0.044 28.645 28.738 -0.229 0.000 0.915 505 Q HN 0.448 nan 8.270 nan 0.000 0.448 506 Y N -0.072 120.230 120.300 0.004 0.000 2.243 506 Y HA -0.074 4.477 4.550 0.001 0.000 0.293 506 Y C 2.292 178.194 175.900 0.003 0.000 1.124 506 Y CA 0.818 58.919 58.100 0.003 0.000 1.159 506 Y CB -0.618 37.842 38.460 0.001 0.000 1.008 506 Y HN 0.111 nan 8.280 nan 0.000 0.527 507 A N 0.227 123.154 122.820 0.179 0.000 1.903 507 A HA -0.264 4.057 4.320 0.001 0.000 0.219 507 A C 2.459 180.086 177.584 0.072 0.000 1.191 507 A CA 2.396 54.490 52.037 0.096 0.000 0.638 507 A CB -1.310 17.729 19.000 0.065 0.000 0.823 507 A HN 0.413 nan 8.150 nan 0.000 0.451 508 A N -0.741 122.112 122.820 0.055 0.000 1.930 508 A HA -0.043 4.278 4.320 0.001 0.000 0.217 508 A C 2.467 180.072 177.584 0.035 0.000 1.175 508 A CA 2.160 54.216 52.037 0.031 0.000 0.627 508 A CB -0.978 18.028 19.000 0.009 0.000 0.815 508 A HN 0.788 nan 8.150 nan 0.000 0.443 509 S N -0.466 115.262 115.700 0.046 0.000 2.363 509 S HA -0.183 4.288 4.470 0.001 0.000 0.218 509 S C 1.964 176.598 174.600 0.057 0.000 1.035 509 S CA 2.041 60.271 58.200 0.050 0.000 1.043 509 S CB -0.985 62.263 63.200 0.080 0.000 0.986 509 S HN 0.662 nan 8.310 nan 0.000 0.423 510 V N 2.284 122.245 119.914 0.078 0.000 2.278 510 V HA -0.184 3.936 4.120 0.001 0.000 0.251 510 V C 2.846 178.965 176.094 0.042 0.000 1.062 510 V CA 2.555 64.889 62.300 0.058 0.000 1.038 510 V CB -1.505 30.350 31.823 0.055 0.000 0.646 510 V HN 0.700 nan 8.190 nan 0.000 0.447 511 A N -0.180 122.663 122.820 0.039 0.000 1.865 511 A HA -0.106 4.215 4.320 0.001 0.000 0.217 511 A C 2.412 180.011 177.584 0.025 0.000 1.191 511 A CA 2.263 54.318 52.037 0.029 0.000 0.623 511 A CB -1.667 17.349 19.000 0.027 0.000 0.826 511 A HN 0.737 nan 8.150 nan 0.000 0.444 512 G N 0.091 108.906 108.800 0.025 0.000 2.719 512 G HA2 -0.303 3.658 3.960 0.001 0.000 0.219 512 G HA3 -0.303 3.658 3.960 0.001 0.000 0.219 512 G C 1.373 176.287 174.900 0.024 0.000 1.234 512 G CA 1.526 46.639 45.100 0.021 0.000 0.788 512 G HN 0.364 nan 8.290 nan 0.000 0.619 513 L N 0.343 121.582 121.223 0.028 0.000 2.058 513 L HA -0.237 4.104 4.340 0.001 0.000 0.226 513 L C 3.129 180.016 176.870 0.028 0.000 1.089 513 L CA 2.181 57.039 54.840 0.029 0.000 0.799 513 L CB -0.707 41.373 42.059 0.033 0.000 0.900 513 L HN 0.355 nan 8.230 nan 0.000 0.442 514 M N -2.064 117.553 119.600 0.027 0.000 2.200 514 M HA -0.159 4.322 4.480 0.001 0.000 0.265 514 M C 2.204 178.518 176.300 0.023 0.000 1.066 514 M CA 1.438 56.754 55.300 0.026 0.000 1.127 514 M CB -0.378 32.237 32.600 0.024 0.000 1.379 514 M HN 0.164 nan 8.290 nan 0.000 0.420 515 I N 0.289 120.872 120.570 0.021 0.000 2.700 515 I HA -0.178 3.992 4.170 0.001 0.000 0.261 515 I C 1.502 177.631 176.117 0.020 0.000 1.219 515 I CA 1.135 62.446 61.300 0.018 0.000 1.463 515 I CB -0.380 37.629 38.000 0.016 0.000 1.092 515 I HN 0.341 nan 8.210 nan 0.000 0.452 516 T N -3.590 110.978 114.554 0.022 0.000 3.293 516 T HA 0.240 4.590 4.350 0.001 0.000 0.276 516 T C 0.421 175.139 174.700 0.030 0.000 1.003 516 T CA -0.367 61.747 62.100 0.024 0.000 0.916 516 T CB -0.352 68.529 68.868 0.022 0.000 1.134 516 T HN -0.096 nan 8.240 nan 0.000 0.530 517 T N 2.164 116.738 114.554 0.032 0.000 2.837 517 T HA 0.365 4.715 4.350 0.001 0.000 0.285 517 T C 0.507 175.238 174.700 0.050 0.000 0.984 517 T CA -0.517 61.607 62.100 0.039 0.000 1.049 517 T CB 1.598 70.488 68.868 0.035 0.000 0.947 517 T HN 0.081 nan 8.240 nan 0.000 0.472 518 E N 0.507 120.749 120.200 0.070 0.000 2.539 518 E HA 0.203 4.554 4.350 0.001 0.000 0.215 518 E C -0.154 176.542 176.600 0.161 0.000 0.965 518 E CA 0.058 56.520 56.400 0.104 0.000 1.019 518 E CB 0.731 30.494 29.700 0.106 0.000 1.059 518 E HN 0.583 nan 8.360 nan 0.000 0.496 519 C N 0.614 119.973 119.300 0.099 0.000 3.113 519 C HA 0.611 5.071 4.460 0.001 0.000 0.376 519 C C -1.545 173.430 174.990 -0.025 0.000 1.077 519 C CA -0.627 58.409 59.018 0.030 0.000 1.253 519 C CB 0.088 27.907 27.740 0.130 0.000 1.637 519 C HN 0.104 nan 8.230 nan 0.000 0.535 520 M N 5.124 124.677 119.600 -0.079 0.000 2.393 520 M HA 0.658 5.138 4.480 0.001 0.000 0.316 520 M C -0.979 175.371 176.300 0.083 0.000 1.087 520 M CA -0.653 54.679 55.300 0.053 0.000 0.937 520 M CB 2.168 34.884 32.600 0.193 0.000 1.668 520 M HN 0.406 nan 8.290 nan 0.000 0.438 521 V N 1.432 121.377 119.914 0.051 0.000 2.483 521 V HA 0.763 4.883 4.120 0.001 0.000 0.297 521 V C -0.403 175.659 176.094 -0.053 0.000 1.027 521 V CA -0.292 62.011 62.300 0.005 0.000 0.855 521 V CB 2.035 33.848 31.823 -0.016 0.000 0.995 521 V HN 0.969 nan 8.190 nan 0.000 0.424 522 T N 2.361 116.843 114.554 -0.119 0.000 2.792 522 T HA 0.412 4.762 4.350 0.001 0.000 0.303 522 T C -1.135 173.458 174.700 -0.178 0.000 1.310 522 T CA -0.572 61.397 62.100 -0.218 0.000 1.007 522 T CB 1.825 70.400 68.868 -0.489 0.000 1.335 522 T HN 0.626 nan 8.240 nan 0.000 0.504 523 D N 1.385 121.690 120.400 -0.159 0.000 2.400 523 D HA 0.286 4.927 4.640 0.001 0.000 0.238 523 D C 0.214 176.447 176.300 -0.112 0.000 1.157 523 D CA 0.111 54.046 54.000 -0.109 0.000 0.889 523 D CB 0.374 41.124 40.800 -0.083 0.000 1.199 523 D HN 0.393 nan 8.370 nan 0.000 0.436 524 L N 3.476 124.662 121.223 -0.061 0.000 2.513 524 L HA 0.127 4.467 4.340 0.001 0.000 0.272 524 L C -1.201 175.645 176.870 -0.041 0.000 1.187 524 L CA -1.466 53.352 54.840 -0.037 0.000 0.895 524 L CB -0.173 41.876 42.059 -0.017 0.000 1.147 524 L HN 0.416 nan 8.230 nan 0.000 0.483 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.085 63.100 -0.026 0.000 0.800 525 P CB 0.000 31.698 31.700 -0.003 0.000 0.726