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 1j4z_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 KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.310 124.128 122.820 -0.003 0.000 2.540 3 A HA 0.391 4.711 4.320 -0.000 0.000 0.268 3 A C 0.441 178.021 177.584 -0.007 0.000 1.061 3 A CA 0.661 52.696 52.037 -0.004 0.000 0.821 3 A CB -0.745 18.250 19.000 -0.008 0.000 0.970 3 A HN 0.544 nan 8.150 nan 0.000 0.524 4 K N 1.878 122.279 120.400 0.002 0.000 2.098 4 K HA 0.387 4.707 4.320 -0.000 0.000 0.244 4 K C -0.498 176.103 176.600 0.002 0.000 1.014 4 K CA -0.611 55.679 56.287 0.006 0.000 0.917 4 K CB 0.836 33.350 32.500 0.024 0.000 1.072 4 K HN 0.729 nan 8.250 nan 0.000 0.477 5 D N 0.175 120.581 120.400 0.010 0.000 2.350 5 D HA 0.434 5.074 4.640 -0.000 0.000 0.245 5 D C -1.468 174.888 176.300 0.093 0.000 1.036 5 D CA -0.713 53.298 54.000 0.018 0.000 0.848 5 D CB 1.485 42.256 40.800 -0.048 0.000 1.307 5 D HN 0.049 nan 8.370 nan 0.000 0.469 6 V N 3.612 123.535 119.914 0.016 0.000 2.686 6 V HA 0.442 4.562 4.120 -0.000 0.000 0.306 6 V C -0.318 175.539 176.094 -0.395 0.000 1.065 6 V CA -0.758 61.462 62.300 -0.133 0.000 0.894 6 V CB 2.083 33.785 31.823 -0.201 0.000 1.004 6 V HN 0.466 nan 8.190 nan 0.000 0.424 7 K N 3.411 123.505 120.400 -0.510 0.000 2.375 7 K HA 0.823 5.143 4.320 -0.000 0.000 0.249 7 K C -1.752 174.476 176.600 -0.619 0.000 0.942 7 K CA -0.508 55.428 56.287 -0.586 0.000 0.806 7 K CB 2.376 34.656 32.500 -0.366 0.000 1.227 7 K HN 0.446 nan 8.250 nan 0.000 0.430 8 F N -0.209 119.692 119.950 -0.081 0.000 2.620 8 F HA 0.591 5.118 4.527 -0.000 0.000 0.320 8 F C 0.859 176.622 175.800 -0.061 0.000 1.069 8 F CA -0.445 57.511 58.000 -0.073 0.000 0.953 8 F CB 1.364 40.340 39.000 -0.041 0.000 1.322 8 F HN 0.770 nan 8.300 nan 0.000 0.479 9 G N 1.425 110.324 108.800 0.164 0.000 2.601 9 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.252 9 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.252 9 G C 0.799 175.716 174.900 0.028 0.000 1.294 9 G CA 0.367 45.511 45.100 0.073 0.000 0.912 9 G HN 0.823 nan 8.290 nan 0.000 0.574 10 N N 0.311 119.022 118.700 0.020 0.000 2.100 10 N HA -0.277 4.463 4.740 -0.000 0.000 0.199 10 N C 1.739 177.245 175.510 -0.008 0.000 1.017 10 N CA 2.300 55.354 53.050 0.006 0.000 0.890 10 N CB -0.398 38.096 38.487 0.011 0.000 1.080 10 N HN 0.698 nan 8.380 nan 0.000 0.525 11 D N 0.732 121.129 120.400 -0.005 0.000 2.303 11 D HA -0.269 4.371 4.640 -0.000 0.000 0.190 11 D C 1.821 178.073 176.300 -0.080 0.000 1.011 11 D CA 1.908 55.895 54.000 -0.021 0.000 0.860 11 D CB -0.793 39.998 40.800 -0.016 0.000 0.961 11 D HN 0.442 nan 8.370 nan 0.000 0.453 12 A N -0.002 122.739 122.820 -0.132 0.000 2.032 12 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 12 A C 2.128 179.612 177.584 -0.166 0.000 1.165 12 A CA 1.929 53.819 52.037 -0.244 0.000 0.645 12 A CB -0.379 18.516 19.000 -0.175 0.000 0.807 12 A HN 0.185 nan 8.150 nan 0.000 0.453 13 R N -1.023 119.429 120.500 -0.079 0.000 2.062 13 R HA 0.006 4.346 4.340 -0.000 0.000 0.218 13 R C 2.241 178.524 176.300 -0.028 0.000 1.161 13 R CA 1.146 57.217 56.100 -0.047 0.000 0.994 13 R CB -0.793 29.493 30.300 -0.024 0.000 0.888 13 R HN 0.511 nan 8.270 nan 0.000 0.442 14 V N 0.893 120.798 119.914 -0.015 0.000 2.428 14 V HA -0.298 3.822 4.120 -0.000 0.000 0.255 14 V C 1.882 177.982 176.094 0.010 0.000 1.080 14 V CA 1.711 64.011 62.300 0.001 0.000 1.083 14 V CB -0.530 31.297 31.823 0.008 0.000 0.665 14 V HN 0.150 nan 8.190 nan 0.000 0.461 15 K N -0.084 120.322 120.400 0.009 0.000 2.002 15 K HA -0.011 4.309 4.320 -0.000 0.000 0.209 15 K C 2.270 178.892 176.600 0.036 0.000 1.048 15 K CA 2.130 58.447 56.287 0.049 0.000 0.930 15 K CB -0.572 31.986 32.500 0.095 0.000 0.714 15 K HN 0.550 nan 8.250 nan 0.000 0.438 16 M N 0.502 120.102 119.600 0.000 0.000 2.080 16 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 16 M C 2.209 178.514 176.300 0.009 0.000 1.068 16 M CA 1.252 56.554 55.300 0.003 0.000 1.109 16 M CB -0.436 32.153 32.600 -0.019 0.000 1.342 16 M HN 0.069 nan 8.290 nan 0.000 0.405 17 L N 0.747 121.972 121.223 0.005 0.000 1.932 17 L HA -0.223 4.117 4.340 -0.000 0.000 0.217 17 L C 2.426 179.302 176.870 0.011 0.000 1.077 17 L CA 2.101 56.945 54.840 0.006 0.000 0.765 17 L CB -1.029 41.033 42.059 0.004 0.000 0.888 17 L HN 0.158 nan 8.230 nan 0.000 0.433 18 R N 0.324 120.833 120.500 0.014 0.000 2.174 18 R HA -0.151 4.189 4.340 -0.000 0.000 0.253 18 R C 2.093 178.404 176.300 0.018 0.000 1.165 18 R CA 1.836 57.946 56.100 0.016 0.000 0.984 18 R CB -1.559 28.754 30.300 0.021 0.000 0.873 18 R HN 0.644 nan 8.270 nan 0.000 0.456 19 G N -0.646 108.168 108.800 0.025 0.000 2.402 19 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 19 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 19 G C 1.425 176.335 174.900 0.017 0.000 1.162 19 G CA 1.032 46.148 45.100 0.026 0.000 0.777 19 G HN 0.373 nan 8.290 nan 0.000 0.539 20 V N -1.027 118.894 119.914 0.013 0.000 2.591 20 V HA -0.008 4.112 4.120 -0.000 0.000 0.249 20 V C 2.194 178.292 176.094 0.006 0.000 1.053 20 V CA 1.669 63.973 62.300 0.008 0.000 1.068 20 V CB -0.658 31.169 31.823 0.007 0.000 0.689 20 V HN 0.136 nan 8.190 nan 0.000 0.462 21 N N 1.016 119.720 118.700 0.006 0.000 2.322 21 N HA -0.138 4.602 4.740 -0.000 0.000 0.189 21 N C 1.623 177.135 175.510 0.003 0.000 1.012 21 N CA 1.700 54.753 53.050 0.004 0.000 0.880 21 N CB -0.443 38.046 38.487 0.005 0.000 0.967 21 N HN 0.533 nan 8.380 nan 0.000 0.439 22 V N 0.601 120.517 119.914 0.004 0.000 2.256 22 V HA -0.121 3.999 4.120 -0.000 0.000 0.240 22 V C 2.308 178.402 176.094 0.000 0.000 1.036 22 V CA 0.784 63.085 62.300 0.002 0.000 1.008 22 V CB -0.617 31.207 31.823 0.002 0.000 0.648 22 V HN 0.171 nan 8.190 nan 0.000 0.453 23 L N 0.808 122.031 121.223 0.001 0.000 2.051 23 L HA -0.219 4.121 4.340 -0.000 0.000 0.214 23 L C 2.255 179.124 176.870 -0.002 0.000 1.076 23 L CA 2.564 57.403 54.840 -0.001 0.000 0.758 23 L CB -1.002 41.057 42.059 -0.001 0.000 0.890 23 L HN 0.285 nan 8.230 nan 0.000 0.433 24 A N -0.792 122.028 122.820 -0.000 0.000 1.819 24 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 24 A C 1.960 179.543 177.584 -0.002 0.000 1.226 24 A CA 1.489 53.526 52.037 -0.001 0.000 0.608 24 A CB -1.188 17.812 19.000 0.000 0.000 0.877 24 A HN 0.498 nan 8.150 nan 0.000 0.452 25 D N 0.216 120.615 120.400 -0.002 0.000 2.276 25 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 25 D C 1.576 177.874 176.300 -0.004 0.000 1.004 25 D CA 1.621 55.620 54.000 -0.003 0.000 0.898 25 D CB -0.292 40.506 40.800 -0.003 0.000 0.906 25 D HN 0.443 nan 8.370 nan 0.000 0.457 26 A N -0.414 122.404 122.820 -0.004 0.000 2.337 26 A HA 0.281 4.601 4.320 -0.000 0.000 0.227 26 A C 1.655 179.236 177.584 -0.005 0.000 1.259 26 A CA -0.032 52.002 52.037 -0.005 0.000 0.870 26 A CB 0.529 19.526 19.000 -0.005 0.000 0.927 26 A HN 0.131 nan 8.150 nan 0.000 0.497 27 V N -0.829 119.082 119.914 -0.005 0.000 3.245 27 V HA -0.026 4.094 4.120 -0.000 0.000 0.246 27 V C 1.617 177.708 176.094 -0.005 0.000 1.487 27 V CA 0.856 63.153 62.300 -0.005 0.000 1.154 27 V CB 0.014 31.834 31.823 -0.005 0.000 0.971 27 V HN 0.664 nan 8.190 nan 0.000 0.443 28 K N 2.314 122.711 120.400 -0.005 0.000 2.665 28 K HA 0.009 4.329 4.320 -0.000 0.000 0.196 28 K C 1.189 177.784 176.600 -0.007 0.000 1.021 28 K CA 1.402 57.685 56.287 -0.006 0.000 1.066 28 K CB -0.147 32.350 32.500 -0.006 0.000 0.849 28 K HN 0.524 nan 8.250 nan 0.000 0.500 29 V N -2.843 117.067 119.914 -0.007 0.000 2.908 29 V HA -0.036 4.084 4.120 -0.000 0.000 0.240 29 V C 2.099 178.189 176.094 -0.006 0.000 1.117 29 V CA 0.767 63.063 62.300 -0.007 0.000 1.133 29 V CB -0.285 31.534 31.823 -0.006 0.000 0.857 29 V HN 0.432 nan 8.190 nan 0.000 0.478 30 T N -0.493 114.058 114.554 -0.005 0.000 3.427 30 T HA 0.117 4.467 4.350 -0.000 0.000 0.256 30 T C 0.423 175.121 174.700 -0.005 0.000 1.172 30 T CA 0.148 62.245 62.100 -0.005 0.000 1.018 30 T CB -0.996 67.869 68.868 -0.005 0.000 0.981 30 T HN 0.282 nan 8.240 nan 0.000 0.555 31 L N 2.203 123.423 121.223 -0.005 0.000 2.313 31 L HA 0.590 4.930 4.340 -0.000 0.000 0.282 31 L C 0.967 177.835 176.870 -0.004 0.000 1.092 31 L CA 1.459 56.296 54.840 -0.005 0.000 0.831 31 L CB -0.297 41.758 42.059 -0.008 0.000 1.159 31 L HN 0.645 nan 8.230 nan 0.000 0.442 32 G N 5.056 113.855 108.800 -0.002 0.000 2.527 32 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.227 32 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.227 32 G C -2.005 172.896 174.900 0.002 0.000 1.291 32 G CA -0.075 45.026 45.100 0.002 0.000 0.904 32 G HN 0.589 nan 8.290 nan 0.000 0.577 33 P HA 0.213 nan 4.420 nan 0.000 0.221 33 P C 0.899 178.201 177.300 0.004 0.000 1.152 33 P CA 0.822 63.924 63.100 0.004 0.000 0.851 33 P CB 0.214 31.918 31.700 0.005 0.000 0.833 34 K N 1.148 121.552 120.400 0.007 0.000 2.596 34 K HA 0.276 4.596 4.320 -0.000 0.000 0.211 34 K C 0.983 177.584 176.600 0.001 0.000 1.046 34 K CA -0.135 56.155 56.287 0.006 0.000 1.202 34 K CB -0.459 32.048 32.500 0.011 0.000 0.925 34 K HN 0.116 nan 8.250 nan 0.000 0.486 35 G N 1.328 110.128 108.800 0.000 0.000 2.483 35 G HA2 0.176 4.136 3.960 -0.000 0.000 0.248 35 G HA3 0.176 4.136 3.960 -0.000 0.000 0.248 35 G C 0.182 175.080 174.900 -0.002 0.000 1.248 35 G CA -0.481 44.618 45.100 -0.002 0.000 0.838 35 G HN 0.072 nan 8.290 nan 0.000 0.566 36 R N 0.862 121.360 120.500 -0.003 0.000 2.541 36 R HA 0.282 4.622 4.340 -0.000 0.000 0.254 36 R C -0.262 176.036 176.300 -0.003 0.000 1.130 36 R CA -0.897 55.201 56.100 -0.003 0.000 1.152 36 R CB 0.081 30.379 30.300 -0.003 0.000 1.222 36 R HN 0.575 nan 8.270 nan 0.000 0.579 37 N N -1.063 117.636 118.700 -0.003 0.000 2.487 37 N HA 0.392 5.132 4.740 -0.000 0.000 0.292 37 N C -1.106 174.402 175.510 -0.003 0.000 1.108 37 N CA -0.515 52.534 53.050 -0.003 0.000 0.956 37 N CB 1.701 40.187 38.487 -0.002 0.000 1.176 37 N HN 0.094 nan 8.380 nan 0.000 0.484 38 V N 1.803 121.714 119.914 -0.004 0.000 2.540 38 V HA 0.387 4.506 4.120 -0.000 0.000 0.302 38 V C -0.555 175.536 176.094 -0.004 0.000 1.035 38 V CA -0.829 61.468 62.300 -0.005 0.000 0.873 38 V CB 1.812 33.632 31.823 -0.005 0.000 0.992 38 V HN 0.370 nan 8.190 nan 0.000 0.428 39 V N 6.160 126.071 119.914 -0.005 0.000 2.383 39 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 39 V C -0.076 176.014 176.094 -0.007 0.000 1.036 39 V CA -0.465 61.832 62.300 -0.005 0.000 0.889 39 V CB 1.236 33.056 31.823 -0.004 0.000 0.985 39 V HN 0.630 nan 8.190 nan 0.000 0.459 40 L N 3.571 124.789 121.223 -0.007 0.000 2.360 40 L HA 0.393 4.733 4.340 -0.000 0.000 0.265 40 L C 0.203 177.066 176.870 -0.013 0.000 1.066 40 L CA -0.483 54.350 54.840 -0.011 0.000 0.929 40 L CB 0.710 42.763 42.059 -0.010 0.000 1.306 40 L HN 0.631 nan 8.230 nan 0.000 0.434 41 D N 3.086 123.476 120.400 -0.016 0.000 2.629 41 D HA -0.053 4.587 4.640 -0.000 0.000 0.228 41 D C 0.003 176.286 176.300 -0.028 0.000 1.127 41 D CA 1.164 55.152 54.000 -0.020 0.000 0.855 41 D CB 0.877 41.663 40.800 -0.023 0.000 1.180 41 D HN 0.337 nan 8.370 nan 0.000 0.484 42 K N 0.974 121.358 120.400 -0.028 0.000 2.258 42 K HA 0.366 4.686 4.320 -0.000 0.000 0.236 42 K C 1.031 177.588 176.600 -0.071 0.000 1.008 42 K CA -0.582 55.681 56.287 -0.040 0.000 0.869 42 K CB 1.238 33.731 32.500 -0.012 0.000 1.171 42 K HN 0.543 nan 8.250 nan 0.000 0.447 43 S N 0.808 116.424 115.700 -0.139 0.000 2.311 43 S HA 0.049 4.519 4.470 -0.000 0.000 0.209 43 S C 0.470 174.948 174.600 -0.204 0.000 1.029 43 S CA 0.480 58.509 58.200 -0.285 0.000 0.968 43 S CB -0.335 62.535 63.200 -0.550 0.000 0.946 43 S HN 0.365 nan 8.310 nan 0.000 0.450 44 F N 3.094 123.043 119.950 -0.002 0.000 2.404 44 F HA 0.707 5.234 4.527 -0.000 0.000 0.358 44 F C 1.238 177.037 175.800 -0.001 0.000 1.120 44 F CA 0.022 58.021 58.000 -0.002 0.000 1.144 44 F CB 0.618 39.617 39.000 -0.002 0.000 1.133 44 F HN 0.808 nan 8.300 nan 0.000 0.495 45 G N 1.360 110.272 108.800 0.186 0.000 2.342 45 G HA2 0.374 4.335 3.960 -0.000 0.000 0.220 45 G HA3 0.374 4.335 3.960 -0.000 0.000 0.220 45 G C -1.467 173.470 174.900 0.062 0.000 1.243 45 G CA -0.566 44.595 45.100 0.101 0.000 1.083 45 G HN 0.919 nan 8.290 nan 0.000 0.500 46 A N 0.485 123.331 122.820 0.042 0.000 2.303 46 A HA 0.877 5.197 4.320 -0.000 0.000 0.317 46 A C -1.685 175.910 177.584 0.018 0.000 1.149 46 A CA -0.789 51.264 52.037 0.027 0.000 0.822 46 A CB 0.247 19.259 19.000 0.021 0.000 1.131 46 A HN 0.670 nan 8.150 nan 0.000 0.493 47 P HA 0.147 nan 4.420 nan 0.000 0.270 47 P C -0.277 177.026 177.300 0.005 0.000 1.221 47 P CA 0.405 63.507 63.100 0.004 0.000 0.788 47 P CB 0.347 32.048 31.700 0.002 0.000 0.904 48 T N 1.931 116.486 114.554 0.001 0.000 2.797 48 T HA 0.548 4.898 4.350 -0.000 0.000 0.279 48 T C 0.061 174.761 174.700 0.000 0.000 0.991 48 T CA -0.336 61.765 62.100 0.002 0.000 0.979 48 T CB 0.232 69.101 68.868 0.001 0.000 0.943 48 T HN 0.155 nan 8.240 nan 0.000 0.444 49 I N 2.704 123.274 120.570 0.001 0.000 2.362 49 I HA 0.580 4.750 4.170 -0.000 0.000 0.289 49 I C 0.382 176.499 176.117 -0.000 0.000 0.994 49 I CA -0.493 60.807 61.300 -0.000 0.000 1.158 49 I CB 1.753 39.753 38.000 0.001 0.000 1.315 49 I HN 0.515 nan 8.210 nan 0.000 0.451 50 T N 4.205 118.758 114.554 -0.002 0.000 2.762 50 T HA 0.413 4.763 4.350 -0.000 0.000 0.301 50 T C -0.311 174.387 174.700 -0.003 0.000 1.299 50 T CA -0.559 61.540 62.100 -0.002 0.000 1.005 50 T CB 1.832 70.698 68.868 -0.003 0.000 1.377 50 T HN 0.678 nan 8.240 nan 0.000 0.504 51 K N 0.770 121.168 120.400 -0.003 0.000 2.536 51 K HA 0.207 4.527 4.320 -0.000 0.000 0.203 51 K C -0.853 175.744 176.600 -0.005 0.000 1.063 51 K CA -0.259 56.025 56.287 -0.004 0.000 1.063 51 K CB 0.624 33.122 32.500 -0.003 0.000 0.843 51 K HN 0.365 nan 8.250 nan 0.000 0.521 52 D N 0.942 121.338 120.400 -0.006 0.000 2.483 52 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 52 D C 1.326 177.621 176.300 -0.009 0.000 1.173 52 D CA -0.067 53.928 54.000 -0.008 0.000 0.964 52 D CB 0.645 41.440 40.800 -0.008 0.000 1.046 52 D HN 0.281 nan 8.370 nan 0.000 0.517 53 G N 2.074 110.869 108.800 -0.008 0.000 2.581 53 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.223 53 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.223 53 G C 1.452 176.346 174.900 -0.010 0.000 1.094 53 G CA 0.963 46.058 45.100 -0.008 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.495 120.402 119.914 -0.012 0.000 2.283 54 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 54 V C 2.980 179.067 176.094 -0.013 0.000 1.039 54 V CA 2.132 64.424 62.300 -0.014 0.000 1.016 54 V CB -0.581 31.231 31.823 -0.018 0.000 0.650 54 V HN 0.365 nan 8.190 nan 0.000 0.449 55 S N -0.141 115.552 115.700 -0.011 0.000 2.399 55 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 55 S C 1.949 176.543 174.600 -0.010 0.000 1.022 55 S CA 1.215 59.409 58.200 -0.010 0.000 0.983 55 S CB -0.097 63.099 63.200 -0.008 0.000 0.803 55 S HN 0.357 nan 8.310 nan 0.000 0.480 56 V N 1.533 121.441 119.914 -0.010 0.000 2.548 56 V HA -0.115 4.005 4.120 -0.000 0.000 0.249 56 V C 2.429 178.517 176.094 -0.010 0.000 1.055 56 V CA 1.419 63.714 62.300 -0.009 0.000 1.065 56 V CB -0.986 30.832 31.823 -0.008 0.000 0.681 56 V HN 0.516 nan 8.190 nan 0.000 0.462 57 A N -0.142 122.672 122.820 -0.011 0.000 1.825 57 A HA -0.190 4.130 4.320 -0.000 0.000 0.214 57 A C 2.326 179.902 177.584 -0.013 0.000 1.206 57 A CA 1.601 53.631 52.037 -0.012 0.000 0.609 57 A CB -0.659 18.333 19.000 -0.013 0.000 0.851 57 A HN 0.375 nan 8.150 nan 0.000 0.445 58 R N -0.261 120.231 120.500 -0.014 0.000 2.196 58 R HA -0.193 4.147 4.340 -0.000 0.000 0.259 58 R C 1.059 177.350 176.300 -0.015 0.000 1.154 58 R CA 1.743 57.834 56.100 -0.015 0.000 0.976 58 R CB -0.349 29.942 30.300 -0.014 0.000 0.888 58 R HN 0.521 nan 8.270 nan 0.000 0.453 59 E N 0.068 120.260 120.200 -0.014 0.000 2.463 59 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 59 E C 0.193 176.785 176.600 -0.015 0.000 1.083 59 E CA 0.207 56.597 56.400 -0.015 0.000 0.872 59 E CB 0.148 29.839 29.700 -0.015 0.000 0.966 59 E HN 0.232 nan 8.360 nan 0.000 0.491 60 I N 1.055 121.617 120.570 -0.013 0.000 2.437 60 I HA 0.300 4.470 4.170 -0.000 0.000 0.298 60 I C 0.168 176.279 176.117 -0.010 0.000 0.984 60 I CA -0.317 60.977 61.300 -0.011 0.000 1.214 60 I CB 1.447 39.442 38.000 -0.009 0.000 1.365 60 I HN -0.022 nan 8.210 nan 0.000 0.469 61 E N 6.396 126.590 120.200 -0.010 0.000 3.397 61 E HA 0.248 4.598 4.350 -0.000 0.000 0.380 61 E C -1.884 174.710 176.600 -0.010 0.000 0.989 61 E CA -0.406 55.989 56.400 -0.009 0.000 0.783 61 E CB 1.038 30.730 29.700 -0.012 0.000 1.334 61 E HN 0.439 nan 8.360 nan 0.000 0.457 62 L N 2.646 123.866 121.223 -0.006 0.000 2.488 62 L HA 0.410 4.750 4.340 -0.000 0.000 0.249 62 L C 1.667 178.528 176.870 -0.016 0.000 1.151 62 L CA -0.442 54.393 54.840 -0.008 0.000 0.806 62 L CB 0.546 42.605 42.059 0.000 0.000 1.261 62 L HN 0.731 nan 8.230 nan 0.000 0.484 63 E N 0.254 120.442 120.200 -0.020 0.000 2.022 63 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 63 E C 0.419 176.992 176.600 -0.045 0.000 0.973 63 E CA 0.068 56.449 56.400 -0.031 0.000 0.816 63 E CB 0.127 29.808 29.700 -0.030 0.000 0.781 63 E HN 0.689 nan 8.360 nan 0.000 0.456 64 D N 1.351 121.726 120.400 -0.043 0.000 2.433 64 D HA -0.110 4.530 4.640 -0.000 0.000 0.274 64 D C 0.653 176.909 176.300 -0.075 0.000 1.344 64 D CA 0.179 54.139 54.000 -0.068 0.000 0.989 64 D CB 0.574 41.356 40.800 -0.029 0.000 1.116 64 D HN 0.120 nan 8.370 nan 0.000 0.533 65 K N 3.419 123.725 120.400 -0.155 0.000 2.163 65 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 65 K C 1.690 178.284 176.600 -0.009 0.000 1.048 65 K CA 1.327 57.525 56.287 -0.148 0.000 0.928 65 K CB -0.340 31.990 32.500 -0.282 0.000 0.716 65 K HN 0.468 nan 8.250 nan 0.000 0.459 66 F N 1.387 121.324 119.950 -0.022 0.000 2.094 66 F HA -0.013 4.514 4.527 -0.000 0.000 0.291 66 F C 2.450 178.241 175.800 -0.015 0.000 1.109 66 F CA 0.569 58.556 58.000 -0.020 0.000 1.221 66 F CB -1.078 37.907 39.000 -0.025 0.000 1.014 66 F HN 0.084 nan 8.300 nan 0.000 0.473 67 E N 0.281 120.596 120.200 0.191 0.000 2.065 67 E HA -0.346 4.004 4.350 -0.000 0.000 0.201 67 E C 1.894 178.537 176.600 0.071 0.000 1.016 67 E CA 1.832 58.291 56.400 0.097 0.000 0.818 67 E CB -0.666 29.070 29.700 0.059 0.000 0.749 67 E HN 0.398 nan 8.360 nan 0.000 0.453 68 N N 0.567 119.302 118.700 0.059 0.000 2.061 68 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 68 N C 1.905 177.444 175.510 0.048 0.000 1.030 68 N CA 1.617 54.690 53.050 0.038 0.000 0.856 68 N CB -0.061 38.439 38.487 0.021 0.000 1.023 68 N HN 0.090 nan 8.380 nan 0.000 0.424 69 M N -0.446 119.203 119.600 0.082 0.000 2.082 69 M HA -0.139 4.341 4.480 -0.000 0.000 0.258 69 M C 2.203 178.531 176.300 0.046 0.000 1.069 69 M CA 1.914 57.261 55.300 0.077 0.000 1.102 69 M CB -0.850 31.829 32.600 0.131 0.000 1.336 69 M HN 0.421 nan 8.290 nan 0.000 0.404 70 G N -0.205 108.621 108.800 0.045 0.000 2.524 70 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 70 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 70 G C 1.533 176.443 174.900 0.017 0.000 1.239 70 G CA 1.052 46.166 45.100 0.022 0.000 0.798 70 G HN 0.564 nan 8.290 nan 0.000 0.557 71 A N -0.616 122.215 122.820 0.019 0.000 2.093 71 A HA -0.133 4.187 4.320 -0.000 0.000 0.222 71 A C 2.269 179.857 177.584 0.006 0.000 1.162 71 A CA 2.043 54.087 52.037 0.011 0.000 0.655 71 A CB -0.269 18.738 19.000 0.011 0.000 0.805 71 A HN 0.389 nan 8.150 nan 0.000 0.461 72 Q N -1.461 118.345 119.800 0.010 0.000 2.424 72 Q HA 0.146 4.486 4.340 -0.000 0.000 0.204 72 Q C 1.882 177.880 176.000 -0.002 0.000 0.933 72 Q CA 0.595 56.400 55.803 0.003 0.000 0.929 72 Q CB 0.018 28.762 28.738 0.009 0.000 1.037 72 Q HN 0.831 nan 8.270 nan 0.000 0.511 73 M N -0.819 118.781 119.600 -0.000 0.000 2.142 73 M HA -0.084 4.396 4.480 -0.000 0.000 0.256 73 M C 2.218 178.509 176.300 -0.014 0.000 1.098 73 M CA 0.927 56.223 55.300 -0.006 0.000 1.151 73 M CB -0.746 31.854 32.600 -0.000 0.000 1.299 73 M HN 0.040 nan 8.290 nan 0.000 0.431 74 V N 1.118 121.028 119.914 -0.007 0.000 2.370 74 V HA -0.340 3.780 4.120 -0.000 0.000 0.252 74 V C 2.196 178.280 176.094 -0.018 0.000 1.068 74 V CA 2.547 64.843 62.300 -0.008 0.000 1.061 74 V CB -0.705 31.118 31.823 0.001 0.000 0.656 74 V HN 0.557 nan 8.190 nan 0.000 0.455 75 K N -0.712 119.678 120.400 -0.017 0.000 2.057 75 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 75 K C 2.323 178.900 176.600 -0.038 0.000 1.049 75 K CA 1.854 58.128 56.287 -0.022 0.000 0.931 75 K CB -0.293 32.198 32.500 -0.016 0.000 0.714 75 K HN 0.585 nan 8.250 nan 0.000 0.440 76 E N 0.412 120.588 120.200 -0.040 0.000 2.208 76 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 76 E C 1.858 178.399 176.600 -0.099 0.000 0.988 76 E CA 0.565 56.931 56.400 -0.057 0.000 0.828 76 E CB 0.163 29.837 29.700 -0.043 0.000 0.763 76 E HN 0.187 nan 8.360 nan 0.000 0.478 77 V N 0.498 120.350 119.914 -0.103 0.000 2.379 77 V HA -0.094 4.026 4.120 -0.000 0.000 0.243 77 V C 2.286 178.238 176.094 -0.237 0.000 1.035 77 V CA 1.606 63.794 62.300 -0.186 0.000 1.035 77 V CB -0.274 31.482 31.823 -0.113 0.000 0.673 77 V HN 0.285 nan 8.190 nan 0.000 0.457 78 A N 0.559 123.313 122.820 -0.110 0.000 1.917 78 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 78 A C 2.516 180.045 177.584 -0.092 0.000 1.182 78 A CA 2.697 54.696 52.037 -0.064 0.000 0.633 78 A CB -1.159 17.828 19.000 -0.021 0.000 0.819 78 A HN 0.905 nan 8.150 nan 0.000 0.448 79 S N -0.230 115.410 115.700 -0.100 0.000 2.462 79 S HA -0.221 4.249 4.470 -0.000 0.000 0.243 79 S C 1.675 176.204 174.600 -0.119 0.000 1.003 79 S CA 1.700 59.848 58.200 -0.086 0.000 0.970 79 S CB -0.410 62.746 63.200 -0.073 0.000 0.762 79 S HN 0.660 nan 8.310 nan 0.000 0.510 80 K N 1.091 121.346 120.400 -0.242 0.000 2.167 80 K HA 0.221 4.541 4.320 -0.000 0.000 0.203 80 K C 2.592 179.135 176.600 -0.095 0.000 1.052 80 K CA 0.847 56.943 56.287 -0.319 0.000 0.956 80 K CB -0.461 31.534 32.500 -0.842 0.000 0.735 80 K HN 0.473 nan 8.250 nan 0.000 0.451 81 A N 1.939 124.763 122.820 0.007 0.000 1.865 81 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 81 A C 1.928 179.574 177.584 0.103 0.000 1.191 81 A CA 2.106 54.278 52.037 0.224 0.000 0.623 81 A CB -0.834 18.288 19.000 0.202 0.000 0.826 81 A HN 0.305 nan 8.150 nan 0.000 0.444 82 N N 0.024 118.744 118.700 0.033 0.000 2.104 82 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 82 N C 1.241 176.753 175.510 0.003 0.000 1.024 82 N CA 1.750 54.799 53.050 -0.001 0.000 0.853 82 N CB -0.219 38.252 38.487 -0.027 0.000 1.008 82 N HN 0.437 nan 8.380 nan 0.000 0.424 83 D N -0.529 119.877 120.400 0.011 0.000 2.178 83 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 83 D C 1.569 177.904 176.300 0.059 0.000 0.980 83 D CA 1.191 55.203 54.000 0.020 0.000 0.842 83 D CB -0.179 40.620 40.800 -0.001 0.000 0.948 83 D HN 0.438 nan 8.370 nan 0.000 0.472 84 A N 0.900 123.775 122.820 0.092 0.000 1.859 84 A HA 0.308 4.628 4.320 -0.000 0.000 0.212 84 A C 2.139 179.781 177.584 0.096 0.000 1.238 84 A CA 1.369 53.468 52.037 0.104 0.000 0.613 84 A CB -0.748 18.339 19.000 0.144 0.000 0.904 84 A HN 0.201 nan 8.150 nan 0.000 0.457 85 A N -1.719 121.154 122.820 0.088 0.000 1.833 85 A HA 0.399 4.719 4.320 -0.000 0.000 0.215 85 A C 1.841 179.479 177.584 0.089 0.000 1.275 85 A CA 2.206 54.290 52.037 0.079 0.000 0.602 85 A CB -0.879 18.155 19.000 0.058 0.000 0.929 85 A HN 1.652 nan 8.150 nan 0.000 0.462 86 G N -2.305 106.506 108.800 0.018 0.000 4.362 86 G HA2 0.315 4.275 3.960 -0.000 0.000 0.220 86 G HA3 0.315 4.275 3.960 -0.000 0.000 0.220 86 G C -0.378 174.470 174.900 -0.085 0.000 0.795 86 G CA 0.739 45.783 45.100 -0.093 0.000 0.920 86 G HN 0.780 nan 8.290 nan 0.000 0.715 87 D N -2.780 117.604 120.400 -0.025 0.000 2.851 87 D HA 0.526 5.166 4.640 -0.000 0.000 0.339 87 D C 1.165 177.471 176.300 0.010 0.000 1.347 87 D CA 1.035 55.026 54.000 -0.016 0.000 0.888 87 D CB 0.366 41.159 40.800 -0.011 0.000 1.431 87 D HN 1.173 nan 8.370 nan 0.000 0.509 88 G N -1.029 107.778 108.800 0.012 0.000 2.313 88 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.215 88 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.215 88 G C 1.374 176.290 174.900 0.026 0.000 1.023 88 G CA 1.140 46.255 45.100 0.025 0.000 0.626 88 G HN 1.221 nan 8.290 nan 0.000 0.503 89 T N -0.589 113.976 114.554 0.019 0.000 2.649 89 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 89 T C 2.231 176.935 174.700 0.008 0.000 1.036 89 T CA 3.185 65.292 62.100 0.011 0.000 1.157 89 T CB -1.225 67.640 68.868 -0.006 0.000 0.861 89 T HN 0.660 nan 8.240 nan 0.000 0.445 90 T N 1.441 115.997 114.554 0.003 0.000 2.833 90 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 90 T C 2.217 176.921 174.700 0.006 0.000 1.054 90 T CA 1.791 63.892 62.100 0.002 0.000 1.135 90 T CB -0.818 68.049 68.868 -0.002 0.000 0.869 90 T HN 0.648 nan 8.240 nan 0.000 0.466 91 T N 2.017 116.578 114.554 0.011 0.000 2.732 91 T HA 0.114 4.464 4.350 -0.000 0.000 0.261 91 T C 2.508 177.220 174.700 0.021 0.000 1.040 91 T CA 0.892 63.000 62.100 0.014 0.000 1.145 91 T CB -0.678 68.199 68.868 0.016 0.000 0.866 91 T HN 0.405 nan 8.240 nan 0.000 0.427 92 A N 2.043 124.883 122.820 0.033 0.000 1.869 92 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 92 A C 2.560 180.163 177.584 0.031 0.000 1.203 92 A CA 2.578 54.643 52.037 0.047 0.000 0.638 92 A CB -1.677 17.363 19.000 0.067 0.000 0.831 92 A HN 0.477 nan 8.150 nan 0.000 0.450 93 T N -0.783 113.782 114.554 0.019 0.000 2.685 93 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 93 T C 1.817 176.523 174.700 0.009 0.000 1.034 93 T CA 1.842 63.949 62.100 0.011 0.000 1.149 93 T CB -0.696 68.174 68.868 0.004 0.000 0.860 93 T HN 0.414 nan 8.240 nan 0.000 0.449 94 V N 0.435 120.354 119.914 0.008 0.000 2.809 94 V HA 0.043 4.163 4.120 -0.000 0.000 0.256 94 V C 2.037 178.135 176.094 0.006 0.000 1.080 94 V CA 1.179 63.482 62.300 0.005 0.000 1.102 94 V CB -0.469 31.355 31.823 0.001 0.000 0.705 94 V HN 0.477 nan 8.190 nan 0.000 0.475 95 L N 0.052 121.282 121.223 0.012 0.000 2.007 95 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 95 L C 2.877 179.756 176.870 0.014 0.000 1.073 95 L CA 1.531 56.379 54.840 0.013 0.000 0.744 95 L CB -0.932 41.139 42.059 0.020 0.000 0.898 95 L HN 0.394 nan 8.230 nan 0.000 0.435 96 A N -0.465 122.367 122.820 0.020 0.000 1.869 96 A HA -0.363 3.957 4.320 -0.000 0.000 0.218 96 A C 2.212 179.803 177.584 0.012 0.000 1.203 96 A CA 2.301 54.349 52.037 0.019 0.000 0.638 96 A CB -0.984 18.029 19.000 0.021 0.000 0.831 96 A HN 0.519 nan 8.150 nan 0.000 0.450 97 Q N -0.764 119.041 119.800 0.009 0.000 2.118 97 Q HA -0.303 4.037 4.340 -0.000 0.000 0.211 97 Q C 2.285 178.288 176.000 0.005 0.000 0.998 97 Q CA 2.445 58.251 55.803 0.006 0.000 0.872 97 Q CB -0.419 28.321 28.738 0.004 0.000 0.925 97 Q HN 0.660 nan 8.270 nan 0.000 0.414 98 A N 0.502 123.325 122.820 0.005 0.000 1.908 98 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 98 A C 1.989 179.575 177.584 0.004 0.000 1.181 98 A CA 1.671 53.710 52.037 0.003 0.000 0.627 98 A CB -0.675 18.327 19.000 0.002 0.000 0.818 98 A HN 0.478 nan 8.150 nan 0.000 0.445 99 I N -0.326 120.247 120.570 0.006 0.000 2.133 99 I HA -0.228 3.942 4.170 -0.000 0.000 0.238 99 I C 2.319 178.439 176.117 0.005 0.000 1.074 99 I CA 1.375 62.679 61.300 0.006 0.000 1.342 99 I CB -0.565 37.441 38.000 0.009 0.000 1.053 99 I HN 0.258 nan 8.210 nan 0.000 0.404 100 I N 0.940 121.514 120.570 0.006 0.000 2.185 100 I HA -0.319 3.851 4.170 -0.000 0.000 0.246 100 I C 2.589 178.708 176.117 0.003 0.000 1.088 100 I CA 1.885 63.188 61.300 0.005 0.000 1.347 100 I CB -0.957 37.046 38.000 0.005 0.000 1.041 100 I HN 0.323 nan 8.210 nan 0.000 0.415 101 T N -0.143 114.413 114.554 0.003 0.000 2.788 101 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 101 T C 1.776 176.477 174.700 0.002 0.000 1.044 101 T CA 1.193 63.294 62.100 0.002 0.000 1.139 101 T CB -0.131 68.738 68.868 0.002 0.000 0.867 101 T HN 0.308 nan 8.240 nan 0.000 0.454 102 E N 0.317 120.518 120.200 0.002 0.000 2.276 102 E HA 0.148 4.498 4.350 -0.000 0.000 0.193 102 E C 2.406 179.006 176.600 0.001 0.000 0.983 102 E CA 0.415 56.816 56.400 0.001 0.000 0.861 102 E CB -0.426 29.274 29.700 0.001 0.000 0.817 102 E HN 0.525 nan 8.360 nan 0.000 0.485 103 G N 1.793 110.594 108.800 0.002 0.000 2.524 103 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 103 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 103 G C 1.623 176.523 174.900 0.001 0.000 1.239 103 G CA 0.485 45.586 45.100 0.002 0.000 0.798 103 G HN 0.186 nan 8.290 nan 0.000 0.557 104 L N 0.331 121.554 121.223 0.000 0.000 2.261 104 L HA -0.073 4.267 4.340 -0.000 0.000 0.216 104 L C 2.725 179.595 176.870 0.000 0.000 1.114 104 L CA 1.260 56.100 54.840 -0.000 0.000 0.777 104 L CB -0.358 41.700 42.059 -0.001 0.000 0.910 104 L HN 0.250 nan 8.230 nan 0.000 0.440 105 K N 0.224 120.624 120.400 0.001 0.000 2.288 105 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 105 K C 2.072 178.673 176.600 0.001 0.000 1.048 105 K CA 0.903 57.191 56.287 0.001 0.000 0.956 105 K CB 0.122 32.622 32.500 0.001 0.000 0.746 105 K HN 0.297 nan 8.250 nan 0.000 0.461 106 A N 0.174 122.994 122.820 0.000 0.000 1.862 106 A HA -0.011 4.309 4.320 -0.000 0.000 0.211 106 A C 2.085 179.669 177.584 -0.000 0.000 1.220 106 A CA 0.722 52.759 52.037 0.000 0.000 0.616 106 A CB -0.610 18.390 19.000 0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.529 120.442 119.914 -0.001 0.000 2.233 107 V HA -0.365 3.755 4.120 -0.000 0.000 0.252 107 V C 2.955 179.049 176.094 -0.001 0.000 1.063 107 V CA 2.376 64.675 62.300 -0.001 0.000 1.032 107 V CB -1.320 30.502 31.823 -0.002 0.000 0.645 107 V HN 0.606 nan 8.190 nan 0.000 0.446 108 A N -0.681 122.140 122.820 0.000 0.000 2.225 108 A HA 0.104 4.424 4.320 -0.000 0.000 0.215 108 A C 2.108 179.693 177.584 0.001 0.000 1.164 108 A CA 1.587 53.625 52.037 0.001 0.000 0.710 108 A CB -0.532 18.470 19.000 0.002 0.000 0.780 108 A HN 0.666 nan 8.150 nan 0.000 0.473 109 A N -2.189 120.632 122.820 0.001 0.000 2.238 109 A HA 0.454 4.774 4.320 -0.000 0.000 0.210 109 A C 1.597 179.181 177.584 -0.000 0.000 1.179 109 A CA 1.159 53.196 52.037 0.001 0.000 0.827 109 A CB -0.292 18.708 19.000 0.000 0.000 0.856 109 A HN 1.670 nan 8.150 nan 0.000 0.488 110 G N -1.887 106.913 108.800 -0.001 0.000 2.183 110 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.168 110 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.168 110 G C 0.069 174.968 174.900 -0.002 0.000 1.008 110 G CA 0.021 45.120 45.100 -0.002 0.000 0.677 110 G HN 0.279 nan 8.290 nan 0.000 0.498 111 M N 0.805 120.404 119.600 -0.002 0.000 2.359 111 M HA 0.375 4.855 4.480 -0.000 0.000 0.322 111 M C 0.525 176.823 176.300 -0.003 0.000 1.166 111 M CA -0.799 54.499 55.300 -0.003 0.000 1.067 111 M CB 0.822 33.420 32.600 -0.002 0.000 1.523 111 M HN 0.145 nan 8.290 nan 0.000 0.467 112 N N 1.725 120.423 118.700 -0.004 0.000 2.497 112 N HA 0.120 4.860 4.740 -0.000 0.000 0.268 112 N C -2.283 173.225 175.510 -0.004 0.000 1.171 112 N CA -1.249 51.798 53.050 -0.005 0.000 0.948 112 N CB 1.314 39.798 38.487 -0.005 0.000 1.069 112 N HN 0.252 nan 8.380 nan 0.000 0.460 113 P HA -0.046 nan 4.420 nan 0.000 0.213 113 P C 1.771 179.069 177.300 -0.003 0.000 1.170 113 P CA 1.157 64.255 63.100 -0.004 0.000 0.893 113 P CB 0.173 31.870 31.700 -0.006 0.000 0.784 114 M N -0.487 119.110 119.600 -0.005 0.000 2.260 114 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 114 M C 1.206 177.504 176.300 -0.003 0.000 1.066 114 M CA 1.693 56.991 55.300 -0.004 0.000 1.082 114 M CB -1.519 31.078 32.600 -0.006 0.000 1.388 114 M HN 0.011 nan 8.290 nan 0.000 0.419 115 D N -0.147 120.251 120.400 -0.003 0.000 2.144 115 D HA 0.020 4.660 4.640 -0.000 0.000 0.207 115 D C 2.243 178.542 176.300 -0.001 0.000 0.970 115 D CA 0.719 54.718 54.000 -0.002 0.000 0.853 115 D CB -0.204 40.594 40.800 -0.003 0.000 1.007 115 D HN 0.305 nan 8.370 nan 0.000 0.469 116 L N 1.036 122.258 121.223 -0.001 0.000 2.137 116 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 116 L C 2.477 179.348 176.870 0.001 0.000 1.085 116 L CA 1.252 56.092 54.840 -0.000 0.000 0.760 116 L CB -0.384 41.675 42.059 -0.000 0.000 0.893 116 L HN 0.044 nan 8.230 nan 0.000 0.434 117 K N 0.288 120.688 120.400 0.001 0.000 2.097 117 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 117 K C 2.302 178.903 176.600 0.002 0.000 1.050 117 K CA 1.114 57.403 56.287 0.002 0.000 0.938 117 K CB 0.063 32.565 32.500 0.003 0.000 0.718 117 K HN 0.126 nan 8.250 nan 0.000 0.442 118 R N -0.176 120.325 120.500 0.001 0.000 2.057 118 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 118 R C 2.379 178.679 176.300 0.000 0.000 1.136 118 R CA 1.612 57.712 56.100 0.000 0.000 0.952 118 R CB -0.687 29.613 30.300 -0.001 0.000 0.848 118 R HN 0.381 nan 8.270 nan 0.000 0.430 119 G N 1.194 109.994 108.800 -0.000 0.000 2.556 119 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 119 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 119 G C 1.445 176.345 174.900 0.000 0.000 1.156 119 G CA 1.295 46.395 45.100 -0.000 0.000 0.766 119 G HN 0.298 nan 8.290 nan 0.000 0.583 120 I N 0.647 121.218 120.570 0.001 0.000 2.179 120 I HA -0.130 4.040 4.170 -0.000 0.000 0.242 120 I C 2.249 178.367 176.117 0.001 0.000 1.088 120 I CA 1.344 62.645 61.300 0.002 0.000 1.357 120 I CB -0.187 37.815 38.000 0.004 0.000 1.051 120 I HN 0.093 nan 8.210 nan 0.000 0.409 121 D N 0.517 120.917 120.400 0.001 0.000 2.264 121 D HA -0.179 4.460 4.640 -0.000 0.000 0.208 121 D C 2.015 178.313 176.300 -0.003 0.000 0.966 121 D CA 0.975 54.975 54.000 -0.001 0.000 0.864 121 D CB -0.011 40.789 40.800 0.000 0.000 0.933 121 D HN 0.340 nan 8.370 nan 0.000 0.499 122 K N 0.875 121.274 120.400 -0.002 0.000 1.991 122 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 122 K C 2.131 178.729 176.600 -0.003 0.000 1.045 122 K CA 0.962 57.247 56.287 -0.003 0.000 0.937 122 K CB -0.030 32.469 32.500 -0.002 0.000 0.720 122 K HN -0.069 nan 8.250 nan 0.000 0.438 123 A N 0.855 123.673 122.820 -0.002 0.000 1.971 123 A HA -0.179 4.141 4.320 -0.000 0.000 0.222 123 A C 2.202 179.784 177.584 -0.003 0.000 1.182 123 A CA 1.984 54.020 52.037 -0.002 0.000 0.649 123 A CB -0.739 18.260 19.000 -0.000 0.000 0.818 123 A HN 0.221 nan 8.150 nan 0.000 0.458 124 V N -0.824 119.087 119.914 -0.005 0.000 2.273 124 V HA -0.179 3.941 4.120 -0.000 0.000 0.242 124 V C 2.662 178.749 176.094 -0.012 0.000 1.035 124 V CA 2.313 64.608 62.300 -0.009 0.000 1.013 124 V CB -1.263 30.553 31.823 -0.011 0.000 0.652 124 V HN 0.602 nan 8.190 nan 0.000 0.452 125 T N 0.652 115.199 114.554 -0.012 0.000 2.792 125 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 125 T C 1.830 176.524 174.700 -0.011 0.000 1.059 125 T CA 1.705 63.797 62.100 -0.014 0.000 1.136 125 T CB -0.403 68.459 68.868 -0.011 0.000 0.846 125 T HN 0.570 nan 8.240 nan 0.000 0.489 126 A N 1.376 124.191 122.820 -0.007 0.000 1.850 126 A HA 0.443 4.763 4.320 -0.000 0.000 0.212 126 A C 2.704 180.285 177.584 -0.005 0.000 1.208 126 A CA 1.244 53.278 52.037 -0.005 0.000 0.609 126 A CB -1.245 17.753 19.000 -0.003 0.000 0.860 126 A HN 0.477 nan 8.150 nan 0.000 0.448 127 A N -0.334 122.483 122.820 -0.005 0.000 2.032 127 A HA -0.036 4.284 4.320 -0.000 0.000 0.221 127 A C 2.093 179.673 177.584 -0.006 0.000 1.165 127 A CA 1.846 53.881 52.037 -0.003 0.000 0.645 127 A CB -0.911 18.088 19.000 -0.003 0.000 0.807 127 A HN 0.444 nan 8.150 nan 0.000 0.453 128 V N -0.354 119.553 119.914 -0.012 0.000 2.626 128 V HA -0.234 3.886 4.120 -0.000 0.000 0.252 128 V C 2.255 178.342 176.094 -0.012 0.000 1.067 128 V CA 2.216 64.506 62.300 -0.017 0.000 1.081 128 V CB -0.706 31.102 31.823 -0.026 0.000 0.686 128 V HN 0.659 nan 8.190 nan 0.000 0.468 129 E N -0.247 119.948 120.200 -0.008 0.000 2.075 129 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 129 E C 2.167 178.766 176.600 -0.002 0.000 0.969 129 E CA 0.544 56.941 56.400 -0.005 0.000 0.815 129 E CB -0.086 29.611 29.700 -0.004 0.000 0.776 129 E HN 0.425 nan 8.360 nan 0.000 0.457 130 E N 0.971 121.171 120.200 -0.000 0.000 2.273 130 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 130 E C 1.704 178.307 176.600 0.005 0.000 1.002 130 E CA 0.563 56.965 56.400 0.003 0.000 0.828 130 E CB -0.029 29.673 29.700 0.004 0.000 0.747 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.231 121.455 121.223 0.002 0.000 2.162 131 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 131 L C 1.672 178.544 176.870 0.003 0.000 1.086 131 L CA 1.313 56.155 54.840 0.003 0.000 0.778 131 L CB -0.021 42.037 42.059 -0.001 0.000 0.928 131 L HN -0.080 nan 8.230 nan 0.000 0.446 132 K N -0.370 120.030 120.400 0.000 0.000 2.574 132 K HA -0.037 4.283 4.320 -0.000 0.000 0.193 132 K C 1.750 178.353 176.600 0.004 0.000 1.035 132 K CA 0.572 56.859 56.287 0.001 0.000 0.982 132 K CB -0.073 32.425 32.500 -0.002 0.000 0.795 132 K HN 0.447 nan 8.250 nan 0.000 0.491 133 A N 1.444 124.267 122.820 0.005 0.000 1.835 133 A HA -0.066 4.254 4.320 -0.000 0.000 0.213 133 A C 1.980 179.570 177.584 0.010 0.000 1.210 133 A CA 0.670 52.712 52.037 0.007 0.000 0.605 133 A CB -0.491 18.514 19.000 0.008 0.000 0.860 133 A HN 0.109 nan 8.150 nan 0.000 0.447 134 L N 0.500 121.731 121.223 0.013 0.000 2.081 134 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 134 L C 1.541 178.420 176.870 0.015 0.000 1.080 134 L CA 1.189 56.038 54.840 0.017 0.000 0.754 134 L CB -1.276 40.795 42.059 0.020 0.000 0.893 134 L HN 0.427 nan 8.230 nan 0.000 0.433 135 S N 0.445 116.152 115.700 0.011 0.000 3.225 135 S HA -0.010 4.460 4.470 -0.000 0.000 0.378 135 S C -0.097 174.509 174.600 0.011 0.000 1.190 135 S CA -0.282 57.925 58.200 0.010 0.000 1.104 135 S CB -0.100 63.104 63.200 0.007 0.000 0.795 135 S HN 0.075 nan 8.310 nan 0.000 0.517 136 V N 9.781 129.702 119.914 0.012 0.000 2.333 136 V HA 0.309 4.429 4.120 -0.000 0.000 0.274 136 V C -1.651 174.449 176.094 0.010 0.000 1.028 136 V CA -1.736 60.571 62.300 0.011 0.000 0.851 136 V CB 0.799 32.630 31.823 0.014 0.000 1.000 136 V HN 0.769 nan 8.190 nan 0.000 0.456 137 P HA -0.120 nan 4.420 nan 0.000 0.275 137 P C -0.128 177.176 177.300 0.007 0.000 1.227 137 P CA 0.183 63.286 63.100 0.007 0.000 0.808 137 P CB 0.298 32.001 31.700 0.006 0.000 0.858 138 C N 0.908 120.211 119.300 0.006 0.000 3.079 138 C HA 0.286 4.746 4.460 -0.000 0.000 0.246 138 C C 1.209 176.201 174.990 0.004 0.000 1.025 138 C CA 0.021 59.042 59.018 0.005 0.000 1.081 138 C CB -1.388 26.356 27.740 0.007 0.000 1.757 138 C HN 0.553 nan 8.230 nan 0.000 0.646 139 S N 0.625 116.327 115.700 0.003 0.000 2.527 139 S HA 0.081 4.551 4.470 -0.000 0.000 0.227 139 S C 0.381 174.982 174.600 0.001 0.000 1.059 139 S CA 0.221 58.422 58.200 0.002 0.000 0.919 139 S CB 0.036 63.236 63.200 0.001 0.000 0.805 139 S HN 0.921 nan 8.310 nan 0.000 0.500 140 D N 2.274 122.675 120.400 0.002 0.000 2.348 140 D HA 0.087 4.727 4.640 -0.000 0.000 0.253 140 D C 0.665 176.965 176.300 0.001 0.000 1.161 140 D CA -0.010 53.990 54.000 0.001 0.000 0.876 140 D CB 1.119 41.920 40.800 0.002 0.000 1.160 140 D HN 0.154 nan 8.370 nan 0.000 0.459 141 S N 1.675 117.375 115.700 0.000 0.000 2.559 141 S HA -0.246 4.224 4.470 -0.000 0.000 0.250 141 S C 1.351 175.951 174.600 0.001 0.000 0.977 141 S CA 0.717 58.917 58.200 -0.000 0.000 0.958 141 S CB -0.304 62.895 63.200 -0.001 0.000 0.751 141 S HN 0.659 nan 8.310 nan 0.000 0.534 142 K N 1.343 121.744 120.400 0.002 0.000 2.141 142 K HA 0.252 4.572 4.320 -0.000 0.000 0.202 142 K C 2.227 178.829 176.600 0.003 0.000 1.045 142 K CA 0.747 57.035 56.287 0.002 0.000 0.971 142 K CB -0.414 32.087 32.500 0.002 0.000 0.795 142 K HN 0.357 nan 8.250 nan 0.000 0.459 143 A N 1.294 124.117 122.820 0.004 0.000 2.014 143 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 143 A C 1.968 179.555 177.584 0.005 0.000 1.163 143 A CA 0.716 52.756 52.037 0.005 0.000 0.652 143 A CB -0.410 18.594 19.000 0.006 0.000 0.808 143 A HN 0.316 nan 8.150 nan 0.000 0.449 144 I N -0.337 120.236 120.570 0.004 0.000 2.286 144 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 144 I C 2.956 179.076 176.117 0.004 0.000 1.115 144 I CA 0.957 62.259 61.300 0.004 0.000 1.392 144 I CB -0.265 37.735 38.000 0.001 0.000 1.065 144 I HN 0.385 nan 8.210 nan 0.000 0.418 145 A N 0.390 123.212 122.820 0.003 0.000 1.858 145 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 145 A C 2.205 179.792 177.584 0.005 0.000 1.190 145 A CA 1.644 53.683 52.037 0.004 0.000 0.617 145 A CB -0.735 18.266 19.000 0.003 0.000 0.827 145 A HN 0.466 nan 8.150 nan 0.000 0.443 146 Q N -0.516 119.287 119.800 0.006 0.000 2.152 146 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 146 Q C 2.123 178.127 176.000 0.008 0.000 0.985 146 Q CA 1.674 57.481 55.803 0.007 0.000 0.863 146 Q CB -0.479 28.263 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.339 120.258 119.914 0.009 0.000 2.229 147 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 147 V C 2.296 178.398 176.094 0.012 0.000 1.042 147 V CA 2.061 64.368 62.300 0.011 0.000 1.000 147 V CB -1.271 30.560 31.823 0.012 0.000 0.637 147 V HN 0.549 nan 8.190 nan 0.000 0.446 148 G N -0.661 108.146 108.800 0.012 0.000 2.503 148 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.221 148 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.221 148 G C 1.650 176.557 174.900 0.011 0.000 1.131 148 G CA 1.770 46.878 45.100 0.013 0.000 0.756 148 G HN 0.482 nan 8.290 nan 0.000 0.572 149 T N 0.995 115.554 114.554 0.009 0.000 2.867 149 T HA 0.006 4.356 4.350 -0.000 0.000 0.268 149 T C 2.290 176.994 174.700 0.008 0.000 1.057 149 T CA 0.869 62.973 62.100 0.007 0.000 1.136 149 T CB -0.094 68.778 68.868 0.006 0.000 0.874 149 T HN 0.328 nan 8.240 nan 0.000 0.466 150 I N 0.617 121.193 120.570 0.009 0.000 2.876 150 I HA 0.009 4.179 4.170 -0.000 0.000 0.264 150 I C 2.122 178.245 176.117 0.010 0.000 1.204 150 I CA 0.518 61.823 61.300 0.008 0.000 1.485 150 I CB -0.070 37.935 38.000 0.009 0.000 1.103 150 I HN 0.106 nan 8.210 nan 0.000 0.446 151 S N 0.851 116.559 115.700 0.013 0.000 2.527 151 S HA 0.146 4.616 4.470 -0.000 0.000 0.222 151 S C 1.686 176.295 174.600 0.015 0.000 0.985 151 S CA 0.730 58.940 58.200 0.016 0.000 0.921 151 S CB 0.143 63.358 63.200 0.024 0.000 0.772 151 S HN 0.480 nan 8.310 nan 0.000 0.529 152 A N 1.344 124.171 122.820 0.012 0.000 2.500 152 A HA 0.438 4.758 4.320 -0.000 0.000 0.267 152 A C 0.572 178.160 177.584 0.007 0.000 1.290 152 A CA -0.354 51.689 52.037 0.011 0.000 0.928 152 A CB -0.402 18.604 19.000 0.010 0.000 1.066 152 A HN 0.372 nan 8.150 nan 0.000 0.516 153 N N -0.240 118.464 118.700 0.006 0.000 2.746 153 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 153 N C 0.204 175.716 175.510 0.003 0.000 1.055 153 N CA 1.036 54.088 53.050 0.004 0.000 0.699 153 N CB -1.875 36.614 38.487 0.003 0.000 0.919 153 N HN 0.511 nan 8.380 nan 0.000 0.548 154 S N -1.534 114.168 115.700 0.003 0.000 3.490 154 S HA -0.235 4.235 4.470 -0.000 0.000 0.301 154 S C -0.343 174.258 174.600 0.003 0.000 1.233 154 S CA 0.851 59.052 58.200 0.003 0.000 0.914 154 S CB -1.033 62.167 63.200 0.001 0.000 1.047 154 S HN 0.772 nan 8.310 nan 0.000 0.602 155 D N 1.366 121.769 120.400 0.004 0.000 2.441 155 D HA 0.216 4.856 4.640 -0.000 0.000 0.221 155 D C 1.127 177.430 176.300 0.004 0.000 1.156 155 D CA -0.269 53.733 54.000 0.004 0.000 0.896 155 D CB 0.483 41.286 40.800 0.004 0.000 1.028 155 D HN 0.477 nan 8.370 nan 0.000 0.509 156 E N 1.346 121.548 120.200 0.003 0.000 2.171 156 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 156 E C 1.514 178.116 176.600 0.003 0.000 0.997 156 E CA 1.277 57.679 56.400 0.003 0.000 0.810 156 E CB 0.151 29.852 29.700 0.002 0.000 0.738 156 E HN 0.500 nan 8.360 nan 0.000 0.467 157 T N 1.020 115.575 114.554 0.003 0.000 2.699 157 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 157 T C 2.102 176.803 174.700 0.003 0.000 1.036 157 T CA 1.455 63.556 62.100 0.002 0.000 1.147 157 T CB -0.320 68.549 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.505 121.422 119.914 0.004 0.000 2.216 158 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 158 V C 2.929 179.026 176.094 0.004 0.000 1.044 158 V CA 2.011 64.314 62.300 0.005 0.000 0.995 158 V CB -1.640 30.187 31.823 0.007 0.000 0.633 158 V HN 0.576 nan 8.190 nan 0.000 0.446 159 G N 0.015 108.818 108.800 0.005 0.000 2.663 159 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.222 159 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.222 159 G C 1.633 176.534 174.900 0.002 0.000 1.146 159 G CA 1.825 46.927 45.100 0.004 0.000 0.764 159 G HN 0.544 nan 8.290 nan 0.000 0.608 160 K N 0.062 120.463 120.400 0.002 0.000 2.002 160 K HA 0.028 4.348 4.320 -0.000 0.000 0.209 160 K C 2.639 179.238 176.600 -0.001 0.000 1.048 160 K CA 1.158 57.445 56.287 0.000 0.000 0.930 160 K CB -0.375 32.125 32.500 0.000 0.000 0.714 160 K HN 0.352 nan 8.250 nan 0.000 0.438 161 L N 1.147 122.370 121.223 -0.001 0.000 2.034 161 L HA -0.292 4.048 4.340 -0.000 0.000 0.217 161 L C 2.502 179.370 176.870 -0.004 0.000 1.077 161 L CA 1.637 56.476 54.840 -0.002 0.000 0.769 161 L CB -0.417 41.642 42.059 -0.001 0.000 0.890 161 L HN 0.330 nan 8.230 nan 0.000 0.435 162 I N -0.778 119.791 120.570 -0.003 0.000 2.076 162 I HA -0.338 3.832 4.170 -0.000 0.000 0.237 162 I C 2.810 178.924 176.117 -0.006 0.000 1.059 162 I CA 1.308 62.604 61.300 -0.006 0.000 1.317 162 I CB -0.665 37.334 38.000 -0.003 0.000 1.037 162 I HN 0.257 nan 8.210 nan 0.000 0.398 163 A N 0.589 123.407 122.820 -0.004 0.000 1.915 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 163 A C 2.180 179.761 177.584 -0.005 0.000 1.198 163 A CA 2.301 54.336 52.037 -0.004 0.000 0.647 163 A CB -0.891 18.108 19.000 -0.002 0.000 0.825 163 A HN 0.550 nan 8.150 nan 0.000 0.456 164 E N -0.628 119.569 120.200 -0.004 0.000 2.153 164 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 164 E C 2.313 178.909 176.600 -0.007 0.000 0.988 164 E CA 0.840 57.237 56.400 -0.005 0.000 0.811 164 E CB -0.275 29.423 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.322 124.137 122.820 -0.008 0.000 1.854 165 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 165 A C 2.181 179.757 177.584 -0.013 0.000 1.192 165 A CA 1.135 53.166 52.037 -0.011 0.000 0.611 165 A CB -0.422 18.570 19.000 -0.014 0.000 0.832 165 A HN 0.103 nan 8.150 nan 0.000 0.442 166 M N -0.811 118.781 119.600 -0.013 0.000 2.202 166 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 166 M C 1.359 177.653 176.300 -0.010 0.000 1.063 166 M CA 1.741 57.033 55.300 -0.013 0.000 1.097 166 M CB -0.586 32.007 32.600 -0.012 0.000 1.382 166 M HN 0.374 nan 8.290 nan 0.000 0.413 167 D N 0.254 120.650 120.400 -0.008 0.000 2.378 167 D HA -0.058 4.582 4.640 -0.000 0.000 0.227 167 D C 1.804 178.100 176.300 -0.007 0.000 1.012 167 D CA 0.737 54.733 54.000 -0.007 0.000 0.905 167 D CB 0.314 41.111 40.800 -0.005 0.000 0.895 167 D HN 0.036 nan 8.370 nan 0.000 0.532 168 K N -0.657 119.738 120.400 -0.008 0.000 2.399 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 168 K C 0.869 177.463 176.600 -0.009 0.000 1.103 168 K CA 0.452 56.734 56.287 -0.008 0.000 0.986 168 K CB 1.518 34.013 32.500 -0.009 0.000 0.952 168 K HN 0.152 nan 8.250 nan 0.000 0.541 169 V N -2.981 116.927 119.914 -0.011 0.000 3.261 169 V HA 0.438 4.558 4.120 -0.000 0.000 0.330 169 V C 0.252 176.339 176.094 -0.012 0.000 1.461 169 V CA -0.205 62.088 62.300 -0.011 0.000 1.127 169 V CB 0.075 31.890 31.823 -0.014 0.000 1.044 169 V HN 0.218 nan 8.190 nan 0.000 0.499 170 G N 2.543 111.337 108.800 -0.010 0.000 2.797 170 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 170 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 170 G C 0.284 175.177 174.900 -0.012 0.000 1.452 170 G CA 0.018 45.113 45.100 -0.010 0.000 0.986 170 G HN 0.794 nan 8.290 nan 0.000 0.595 171 K N 0.371 120.765 120.400 -0.011 0.000 2.589 171 K HA -0.033 4.287 4.320 -0.000 0.000 0.195 171 K C 0.648 177.239 176.600 -0.015 0.000 1.040 171 K CA 1.410 57.689 56.287 -0.012 0.000 0.950 171 K CB 0.371 32.866 32.500 -0.009 0.000 0.781 171 K HN 0.525 nan 8.250 nan 0.000 0.486 172 E N 1.073 121.265 120.200 -0.014 0.000 2.624 172 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 172 E C 0.446 177.035 176.600 -0.017 0.000 0.997 172 E CA -0.094 56.297 56.400 -0.014 0.000 0.999 172 E CB 1.164 30.858 29.700 -0.009 0.000 1.040 172 E HN 0.413 nan 8.360 nan 0.000 0.469 173 G N 0.414 109.201 108.800 -0.020 0.000 2.568 173 G HA2 0.434 4.394 3.960 -0.000 0.000 0.293 173 G HA3 0.434 4.394 3.960 -0.000 0.000 0.293 173 G C -0.073 174.808 174.900 -0.031 0.000 1.347 173 G CA -0.425 44.662 45.100 -0.022 0.000 1.039 173 G HN -0.034 nan 8.290 nan 0.000 0.523 174 V N 0.035 119.931 119.914 -0.031 0.000 2.481 174 V HA 0.582 4.702 4.120 -0.000 0.000 0.286 174 V C -0.136 175.932 176.094 -0.042 0.000 1.042 174 V CA -0.377 61.899 62.300 -0.041 0.000 0.928 174 V CB 0.937 32.738 31.823 -0.037 0.000 0.986 174 V HN 0.483 nan 8.190 nan 0.000 0.462 175 I N 3.100 123.637 120.570 -0.054 0.000 2.571 175 I HA 0.516 4.686 4.170 -0.000 0.000 0.289 175 I C -0.394 175.691 176.117 -0.053 0.000 1.115 175 I CA -0.151 61.119 61.300 -0.049 0.000 1.045 175 I CB 2.489 40.458 38.000 -0.051 0.000 1.238 175 I HN 0.616 nan 8.210 nan 0.000 0.424 176 T N 4.586 119.117 114.554 -0.039 0.000 2.907 176 T HA 0.588 4.938 4.350 -0.000 0.000 0.292 176 T C -0.477 174.211 174.700 -0.021 0.000 1.043 176 T CA -0.717 61.363 62.100 -0.033 0.000 1.003 176 T CB 2.470 71.320 68.868 -0.031 0.000 1.084 176 T HN 0.378 nan 8.240 nan 0.000 0.483 177 V N 0.171 120.077 119.914 -0.013 0.000 2.378 177 V HA 0.632 4.752 4.120 -0.000 0.000 0.288 177 V C -0.139 175.954 176.094 -0.003 0.000 1.016 177 V CA -0.812 61.485 62.300 -0.005 0.000 0.840 177 V CB 0.947 32.771 31.823 0.003 0.000 0.994 177 V HN 0.861 nan 8.190 nan 0.000 0.431 178 E N 2.578 122.775 120.200 -0.004 0.000 3.262 178 E HA 0.420 4.770 4.350 -0.000 0.000 0.257 178 E C -0.917 175.683 176.600 -0.000 0.000 1.195 178 E CA -0.925 55.473 56.400 -0.003 0.000 1.160 178 E CB 0.789 30.485 29.700 -0.007 0.000 1.416 178 E HN 0.763 nan 8.360 nan 0.000 0.630 179 D N -0.143 120.257 120.400 -0.000 0.000 2.229 179 D HA 0.286 4.926 4.640 -0.000 0.000 0.249 179 D C -0.158 176.142 176.300 -0.000 0.000 1.027 179 D CA -0.230 53.770 54.000 0.001 0.000 0.923 179 D CB 1.510 42.311 40.800 0.002 0.000 1.174 179 D HN 0.439 nan 8.370 nan 0.000 0.443 180 G N -0.897 107.903 108.800 0.000 0.000 2.539 180 G HA2 0.284 4.244 3.960 -0.000 0.000 0.258 180 G HA3 0.284 4.244 3.960 -0.000 0.000 0.258 180 G C 0.844 175.743 174.900 -0.001 0.000 1.202 180 G CA -0.304 44.795 45.100 -0.000 0.000 0.851 180 G HN 0.448 nan 8.290 nan 0.000 0.556 181 T N -2.703 111.850 114.554 -0.001 0.000 3.069 181 T HA 0.468 4.818 4.350 -0.000 0.000 0.252 181 T C 0.982 175.681 174.700 -0.001 0.000 1.053 181 T CA 0.520 62.619 62.100 -0.002 0.000 0.964 181 T CB 0.324 69.190 68.868 -0.003 0.000 1.005 181 T HN 2.013 nan 8.240 nan 0.000 0.532 182 G N 2.006 110.805 108.800 -0.001 0.000 2.421 182 G HA2 0.302 4.262 3.960 -0.000 0.000 0.360 182 G HA3 0.302 4.262 3.960 -0.000 0.000 0.360 182 G C -0.572 174.328 174.900 -0.000 0.000 1.219 182 G CA -0.617 44.483 45.100 -0.000 0.000 1.257 182 G HN 0.632 nan 8.290 nan 0.000 0.609 183 L N 0.000 121.223 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.356 183 L C 0.473 177.343 176.870 -0.000 0.000 1.007 183 L CA 2.324 57.164 54.840 0.000 0.000 1.222 183 L CB -0.313 41.746 42.059 0.000 0.000 0.016 183 L HN 1.801 nan 8.230 nan 0.000 0.101 184 Q N 1.563 121.363 119.800 -0.000 0.000 2.667 184 Q HA -0.123 4.217 4.340 -0.000 0.000 0.210 184 Q C -0.604 175.395 176.000 -0.001 0.000 1.417 184 Q CA 1.021 56.823 55.803 -0.001 0.000 0.607 184 Q CB -0.586 28.152 28.738 -0.001 0.000 0.739 184 Q HN 0.599 nan 8.270 nan 0.000 0.315 185 D N 3.350 123.749 120.400 -0.001 0.000 2.488 185 D HA 0.033 4.673 4.640 -0.000 0.000 0.238 185 D C 0.307 176.605 176.300 -0.002 0.000 1.138 185 D CA 0.782 54.782 54.000 -0.001 0.000 0.873 185 D CB 0.714 41.514 40.800 -0.001 0.000 1.183 185 D HN 0.309 nan 8.370 nan 0.000 0.458 186 E N 0.297 120.495 120.200 -0.003 0.000 2.244 186 E HA 0.599 4.949 4.350 -0.000 0.000 0.266 186 E C -0.910 175.687 176.600 -0.005 0.000 0.914 186 E CA -0.992 55.406 56.400 -0.004 0.000 0.794 186 E CB 2.279 31.976 29.700 -0.004 0.000 1.210 186 E HN 0.125 nan 8.360 nan 0.000 0.414 187 L N 2.783 124.003 121.223 -0.005 0.000 2.543 187 L HA 0.419 4.759 4.340 -0.000 0.000 0.265 187 L C -2.181 174.685 176.870 -0.007 0.000 0.945 187 L CA -0.256 54.580 54.840 -0.006 0.000 0.869 187 L CB 1.778 43.833 42.059 -0.006 0.000 1.294 187 L HN 0.612 nan 8.230 nan 0.000 0.405 188 D N 3.459 123.854 120.400 -0.008 0.000 2.622 188 D HA 0.446 5.086 4.640 -0.000 0.000 0.255 188 D C -1.375 174.919 176.300 -0.009 0.000 1.246 188 D CA -0.416 53.580 54.000 -0.008 0.000 0.795 188 D CB 2.067 42.862 40.800 -0.007 0.000 1.369 188 D HN 0.309 nan 8.370 nan 0.000 0.425 189 V N 0.212 120.121 119.914 -0.008 0.000 2.483 189 V HA 0.606 4.726 4.120 -0.000 0.000 0.295 189 V C 0.301 176.390 176.094 -0.008 0.000 1.035 189 V CA -0.663 61.631 62.300 -0.009 0.000 0.896 189 V CB 1.356 33.174 31.823 -0.008 0.000 0.986 189 V HN 0.612 nan 8.190 nan 0.000 0.447 190 V N 1.114 121.023 119.914 -0.009 0.000 2.962 190 V HA 0.651 4.771 4.120 -0.000 0.000 0.313 190 V C -0.342 175.748 176.094 -0.007 0.000 1.099 190 V CA -1.009 61.286 62.300 -0.008 0.000 0.971 190 V CB 2.163 33.979 31.823 -0.010 0.000 1.028 190 V HN 0.717 nan 8.190 nan 0.000 0.430 191 E N 2.471 122.669 120.200 -0.004 0.000 2.341 191 E HA 0.465 4.815 4.350 -0.000 0.000 0.256 191 E C 0.358 176.959 176.600 0.001 0.000 1.125 191 E CA 0.845 57.245 56.400 -0.000 0.000 0.939 191 E CB 0.760 30.461 29.700 0.001 0.000 0.991 191 E HN 1.098 nan 8.360 nan 0.000 0.458 192 G N 1.681 110.482 108.800 0.003 0.000 2.911 192 G HA2 0.750 4.710 3.960 -0.000 0.000 0.299 192 G HA3 0.750 4.710 3.960 -0.000 0.000 0.299 192 G C -0.905 174.004 174.900 0.016 0.000 1.283 192 G CA -0.540 44.562 45.100 0.005 0.000 0.805 192 G HN 0.418 nan 8.290 nan 0.000 0.548 193 M N -0.945 118.665 119.600 0.015 0.000 2.956 193 M HA 0.519 4.999 4.480 -0.000 0.000 0.272 193 M C -2.483 173.818 176.300 0.001 0.000 1.132 193 M CA -0.621 54.702 55.300 0.038 0.000 0.805 193 M CB 2.318 34.977 32.600 0.098 0.000 1.639 193 M HN 0.645 nan 8.290 nan 0.000 0.520 194 Q N 2.669 122.480 119.800 0.018 0.000 2.280 194 Q HA 0.546 4.886 4.340 -0.000 0.000 0.259 194 Q C -2.264 173.737 176.000 0.002 0.000 0.964 194 Q CA -0.524 55.217 55.803 -0.102 0.000 0.844 194 Q CB 1.853 30.531 28.738 -0.101 0.000 1.334 194 Q HN 0.581 nan 8.270 nan 0.000 0.423 195 F N -0.007 119.936 119.950 -0.013 0.000 2.579 195 F HA 0.545 5.072 4.527 -0.000 0.000 0.324 195 F C 0.113 175.906 175.800 -0.011 0.000 1.058 195 F CA -1.138 56.857 58.000 -0.009 0.000 0.944 195 F CB 0.979 39.977 39.000 -0.004 0.000 1.245 195 F HN 0.289 nan 8.300 nan 0.000 0.477 196 D N 2.490 123.023 120.400 0.222 0.000 2.982 196 D HA 0.086 4.726 4.640 -0.000 0.000 0.238 196 D C -0.162 176.220 176.300 0.136 0.000 1.168 196 D CA 0.356 54.425 54.000 0.115 0.000 0.947 196 D CB -0.055 40.797 40.800 0.088 0.000 1.147 196 D HN 0.244 nan 8.370 nan 0.000 0.450 197 R N -0.035 120.571 120.500 0.176 0.000 2.686 197 R HA 0.594 4.934 4.340 -0.000 0.000 0.286 197 R C 0.370 176.679 176.300 0.014 0.000 0.969 197 R CA -0.721 55.474 56.100 0.159 0.000 0.898 197 R CB 2.170 32.681 30.300 0.352 0.000 1.183 197 R HN 0.101 nan 8.270 nan 0.000 0.456 198 G N 0.867 109.643 108.800 -0.040 0.000 2.667 198 G HA2 0.455 4.415 3.960 -0.000 0.000 0.310 198 G HA3 0.455 4.415 3.960 -0.000 0.000 0.310 198 G C -0.758 174.101 174.900 -0.069 0.000 1.259 198 G CA -0.561 44.428 45.100 -0.185 0.000 1.019 198 G HN 0.431 nan 8.290 nan 0.000 0.496 199 Y N -0.839 119.483 120.300 0.036 0.000 2.550 199 Y HA 0.280 4.830 4.550 -0.000 0.000 0.343 199 Y C 1.346 177.309 175.900 0.105 0.000 1.245 199 Y CA -1.062 57.070 58.100 0.053 0.000 1.462 199 Y CB 0.194 38.724 38.460 0.115 0.000 1.340 199 Y HN 0.212 nan 8.280 nan 0.000 0.604 200 L N 1.239 122.707 121.223 0.409 0.000 2.240 200 L HA 0.057 4.397 4.340 -0.000 0.000 0.211 200 L C 0.500 177.580 176.870 0.350 0.000 1.106 200 L CA 1.169 56.213 54.840 0.340 0.000 0.793 200 L CB -0.440 41.788 42.059 0.281 0.000 0.927 200 L HN 0.838 nan 8.230 nan 0.000 0.446 201 S N -3.101 112.830 115.700 0.385 0.000 2.537 201 S HA 0.485 4.955 4.470 -0.000 0.000 0.271 201 S C -2.753 171.694 174.600 -0.254 0.000 1.148 201 S CA -1.204 57.038 58.200 0.071 0.000 0.868 201 S CB 2.051 65.274 63.200 0.039 0.000 1.115 201 S HN -0.285 nan 8.310 nan 0.000 0.461 202 P HA 0.200 nan 4.420 nan 0.000 0.317 202 P C 0.258 177.245 177.300 -0.522 0.000 1.427 202 P CA 0.563 63.180 63.100 -0.805 0.000 0.820 202 P CB -0.154 31.073 31.700 -0.788 0.000 1.894 203 Y N -4.591 115.535 120.300 -0.290 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.959 177.738 175.900 -0.202 0.000 1.055 203 Y CA 1.483 59.425 58.100 -0.263 0.000 2.997 203 Y CB -3.169 35.080 38.460 -0.351 0.000 0.837 203 Y HN 0.085 nan 8.280 nan 0.000 0.553 204 F N 0.472 120.432 119.950 0.018 0.000 2.236 204 F HA -0.121 4.406 4.527 -0.000 0.000 0.302 204 F C 1.504 177.306 175.800 0.004 0.000 1.073 204 F CA 0.978 58.987 58.000 0.015 0.000 1.336 204 F CB -0.741 38.264 39.000 0.008 0.000 1.040 204 F HN -0.012 nan 8.300 nan 0.000 0.507 205 I N 2.514 123.158 120.570 0.123 0.000 2.943 205 I HA -0.227 3.943 4.170 -0.000 0.000 0.296 205 I C 0.747 176.912 176.117 0.079 0.000 1.220 205 I CA 0.540 61.884 61.300 0.073 0.000 1.409 205 I CB -0.129 37.864 38.000 -0.012 0.000 1.374 205 I HN 0.242 nan 8.210 nan 0.000 0.545 206 N N 4.851 123.601 118.700 0.083 0.000 2.184 206 N HA 0.071 4.811 4.740 -0.000 0.000 0.206 206 N C -0.021 175.520 175.510 0.052 0.000 1.151 206 N CA -0.138 52.952 53.050 0.067 0.000 0.878 206 N CB 0.484 39.013 38.487 0.069 0.000 1.014 206 N HN 0.484 nan 8.380 nan 0.000 0.512 207 K N 1.156 121.588 120.400 0.052 0.000 2.842 207 K HA 0.245 4.565 4.320 -0.000 0.000 0.176 207 K C -2.152 174.473 176.600 0.041 0.000 1.080 207 K CA -1.562 54.751 56.287 0.043 0.000 0.954 207 K CB 1.882 34.407 32.500 0.042 0.000 1.203 207 K HN -0.000 nan 8.250 nan 0.000 0.611 208 P HA -0.173 nan 4.420 nan 0.000 0.231 208 P C 0.210 177.524 177.300 0.023 0.000 1.154 208 P CA 1.096 64.212 63.100 0.026 0.000 0.762 208 P CB 0.504 32.216 31.700 0.020 0.000 0.790 209 E N -0.166 120.049 120.200 0.024 0.000 2.021 209 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 209 E C 2.059 178.670 176.600 0.019 0.000 0.980 209 E CA 1.683 58.094 56.400 0.018 0.000 0.803 209 E CB -0.909 28.802 29.700 0.018 0.000 0.766 209 E HN 0.199 nan 8.360 nan 0.000 0.449 210 T N -1.278 113.293 114.554 0.029 0.000 2.942 210 T HA 0.113 4.463 4.350 -0.000 0.000 0.265 210 T C 1.356 176.082 174.700 0.045 0.000 1.062 210 T CA 0.900 63.020 62.100 0.033 0.000 1.139 210 T CB 0.019 68.912 68.868 0.043 0.000 0.883 210 T HN 0.417 nan 8.240 nan 0.000 0.468 211 G N 1.081 109.915 108.800 0.057 0.000 2.130 211 G HA2 0.111 4.071 3.960 -0.000 0.000 0.216 211 G HA3 0.111 4.071 3.960 -0.000 0.000 0.216 211 G C 0.033 175.024 174.900 0.151 0.000 0.999 211 G CA -0.057 45.093 45.100 0.083 0.000 0.686 211 G HN 0.910 nan 8.290 nan 0.000 0.515 212 A N -1.539 121.359 122.820 0.129 0.000 2.486 212 A HA 0.989 5.309 4.320 -0.000 0.000 0.277 212 A C -0.276 177.391 177.584 0.138 0.000 1.282 212 A CA -0.136 52.004 52.037 0.171 0.000 0.784 212 A CB 1.619 20.685 19.000 0.109 0.000 1.350 212 A HN 1.251 nan 8.150 nan 0.000 0.454 213 V N 0.252 120.250 119.914 0.141 0.000 2.769 213 V HA 0.669 4.788 4.120 -0.000 0.000 0.312 213 V C -0.292 175.839 176.094 0.062 0.000 1.058 213 V CA -0.420 61.945 62.300 0.108 0.000 0.952 213 V CB 1.618 33.518 31.823 0.128 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.828 123.059 120.200 0.050 0.000 2.274 214 E HA 0.610 4.960 4.350 -0.000 0.000 0.269 214 E C -2.021 174.593 176.600 0.024 0.000 0.891 214 E CA -0.537 55.879 56.400 0.028 0.000 0.784 214 E CB 1.677 31.392 29.700 0.025 0.000 1.225 214 E HN 0.626 nan 8.360 nan 0.000 0.412 215 L N 3.401 124.630 121.223 0.010 0.000 2.385 215 L HA 0.524 4.864 4.340 -0.000 0.000 0.273 215 L C -0.420 176.443 176.870 -0.011 0.000 0.990 215 L CA -0.881 53.963 54.840 0.007 0.000 0.821 215 L CB 2.004 44.068 42.059 0.008 0.000 1.279 215 L HN 0.478 nan 8.230 nan 0.000 0.412 216 E N 1.468 121.659 120.200 -0.015 0.000 2.156 216 E HA 0.304 4.654 4.350 -0.000 0.000 0.279 216 E C -0.167 176.398 176.600 -0.059 0.000 0.965 216 E CA -0.549 55.833 56.400 -0.031 0.000 0.789 216 E CB 1.575 31.262 29.700 -0.021 0.000 1.098 216 E HN 0.633 nan 8.360 nan 0.000 0.397 217 S N 1.719 117.370 115.700 -0.081 0.000 3.614 217 S HA -0.124 4.346 4.470 -0.000 0.000 0.360 217 S C -2.030 172.440 174.600 -0.216 0.000 1.023 217 S CA 0.415 58.532 58.200 -0.139 0.000 1.114 217 S CB -1.351 61.770 63.200 -0.131 0.000 0.907 217 S HN 0.515 nan 8.310 nan 0.000 0.470 218 P HA 0.549 nan 4.420 nan 0.000 0.279 218 P C -0.125 177.046 177.300 -0.214 0.000 1.276 218 P CA -0.607 62.405 63.100 -0.147 0.000 0.801 218 P CB 0.546 32.227 31.700 -0.031 0.000 1.127 219 F N -0.503 119.454 119.950 0.012 0.000 2.432 219 F HA 0.478 5.005 4.527 -0.000 0.000 0.329 219 F C 0.745 176.553 175.800 0.012 0.000 1.076 219 F CA -0.445 57.563 58.000 0.012 0.000 1.018 219 F CB 0.896 39.904 39.000 0.012 0.000 1.201 219 F HN 0.049 nan 8.300 nan 0.000 0.489 220 I N 3.079 123.792 120.570 0.238 0.000 2.569 220 I HA 0.391 4.561 4.170 -0.000 0.000 0.296 220 I C -1.440 174.740 176.117 0.106 0.000 1.028 220 I CA -1.125 60.255 61.300 0.134 0.000 1.082 220 I CB 2.101 40.161 38.000 0.101 0.000 1.264 220 I HN 0.231 nan 8.210 nan 0.000 0.429 221 L N 6.779 128.044 121.223 0.071 0.000 2.298 221 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 221 L C -1.083 175.807 176.870 0.032 0.000 1.013 221 L CA -0.190 54.676 54.840 0.043 0.000 0.824 221 L CB 0.962 43.040 42.059 0.032 0.000 1.221 221 L HN 0.473 nan 8.230 nan 0.000 0.418 222 L N 6.129 127.366 121.223 0.024 0.000 2.301 222 L HA 0.792 5.132 4.340 -0.000 0.000 0.278 222 L C -0.264 176.608 176.870 0.003 0.000 1.022 222 L CA -0.417 54.429 54.840 0.011 0.000 0.854 222 L CB 1.142 43.206 42.059 0.009 0.000 1.226 222 L HN 0.776 nan 8.230 nan 0.000 0.429 223 A N 1.829 124.650 122.820 0.001 0.000 2.381 223 A HA 0.447 4.767 4.320 -0.000 0.000 0.299 223 A C -1.064 176.519 177.584 -0.002 0.000 1.049 223 A CA -0.587 51.451 52.037 0.001 0.000 0.715 223 A CB 1.484 20.487 19.000 0.005 0.000 1.222 223 A HN 0.636 nan 8.150 nan 0.000 0.428 224 D N 2.478 122.875 120.400 -0.004 0.000 2.422 224 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 224 D C -0.057 176.245 176.300 0.003 0.000 1.190 224 D CA 0.399 54.396 54.000 -0.004 0.000 0.905 224 D CB -0.283 40.513 40.800 -0.008 0.000 1.034 224 D HN 0.705 nan 8.370 nan 0.000 0.507 225 K N 0.729 121.134 120.400 0.008 0.000 3.663 225 K HA 0.131 4.451 4.320 -0.000 0.000 0.413 225 K C -1.415 175.196 176.600 0.018 0.000 1.089 225 K CA -1.131 55.164 56.287 0.013 0.000 0.860 225 K CB 0.248 32.755 32.500 0.011 0.000 1.492 225 K HN 0.026 nan 8.250 nan 0.000 0.517 226 K N 0.856 121.269 120.400 0.021 0.000 2.098 226 K HA 0.518 4.838 4.320 -0.000 0.000 0.261 226 K C -0.513 176.102 176.600 0.025 0.000 0.987 226 K CA -0.640 55.662 56.287 0.025 0.000 0.916 226 K CB 0.910 33.426 32.500 0.026 0.000 1.039 226 K HN 0.377 nan 8.250 nan 0.000 0.455 227 I N 1.685 122.273 120.570 0.031 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.154 176.292 176.117 0.035 0.000 1.023 227 I CA -0.104 61.215 61.300 0.031 0.000 1.100 227 I CB 1.910 39.930 38.000 0.034 0.000 1.238 227 I HN 0.627 nan 8.210 nan 0.000 0.445 228 S N 2.834 118.551 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.721 175.336 174.600 0.026 0.000 1.078 228 S CA -0.127 58.091 58.200 0.030 0.000 0.867 228 S CB 0.285 63.500 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.917 121.630 118.700 0.022 0.000 2.399 229 N HA 0.184 4.924 4.740 -0.000 0.000 0.259 229 N C 0.686 176.207 175.510 0.019 0.000 1.160 229 N CA 0.022 53.083 53.050 0.018 0.000 0.946 229 N CB 0.841 39.336 38.487 0.014 0.000 1.156 229 N HN 0.336 nan 8.380 nan 0.000 0.489 230 I N 3.240 123.823 120.570 0.021 0.000 2.399 230 I HA -0.301 3.869 4.170 -0.000 0.000 0.254 230 I C 1.914 178.040 176.117 0.016 0.000 1.146 230 I CA 1.197 62.510 61.300 0.022 0.000 1.412 230 I CB 0.204 38.217 38.000 0.022 0.000 1.076 230 I HN 0.431 nan 8.210 nan 0.000 0.432 231 R N 0.824 121.332 120.500 0.012 0.000 2.119 231 R HA -0.244 4.096 4.340 -0.000 0.000 0.246 231 R C 1.947 178.251 176.300 0.007 0.000 1.146 231 R CA 2.184 58.289 56.100 0.009 0.000 0.962 231 R CB -0.486 29.818 30.300 0.007 0.000 0.863 231 R HN 0.574 nan 8.270 nan 0.000 0.442 232 E N -0.191 120.014 120.200 0.009 0.000 2.265 232 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 232 E C 1.908 178.511 176.600 0.005 0.000 0.996 232 E CA 0.851 57.255 56.400 0.006 0.000 0.832 232 E CB 0.026 29.731 29.700 0.009 0.000 0.756 232 E HN 0.273 nan 8.360 nan 0.000 0.491 233 M N 0.192 119.797 119.600 0.009 0.000 2.115 233 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 233 M C 2.399 178.700 176.300 0.001 0.000 1.079 233 M CA 1.086 56.390 55.300 0.008 0.000 1.143 233 M CB -1.030 31.581 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.624 121.848 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.437 176.428 176.870 -0.009 0.000 1.106 234 L CA 2.068 56.907 54.840 -0.001 0.000 0.827 234 L CB -2.848 39.211 42.059 0.000 0.000 0.915 234 L HN 0.218 nan 8.230 nan 0.000 0.448 235 P HA -0.112 nan 4.420 nan 0.000 0.226 235 P C 1.380 178.661 177.300 -0.032 0.000 1.146 235 P CA 1.383 64.471 63.100 -0.019 0.000 0.773 235 P CB 0.202 31.892 31.700 -0.016 0.000 0.772 236 V N -1.339 118.555 119.914 -0.033 0.000 3.371 236 V HA 0.070 4.190 4.120 -0.000 0.000 0.246 236 V C 2.451 178.515 176.094 -0.050 0.000 1.303 236 V CA 0.236 62.504 62.300 -0.054 0.000 1.156 236 V CB -0.511 31.282 31.823 -0.049 0.000 0.929 236 V HN -0.044 nan 8.190 nan 0.000 0.459 237 L N 0.278 121.487 121.223 -0.022 0.000 2.456 237 L HA -0.070 4.270 4.340 -0.000 0.000 0.224 237 L C 2.233 179.098 176.870 -0.009 0.000 1.148 237 L CA 1.467 56.302 54.840 -0.007 0.000 0.825 237 L CB -0.182 41.883 42.059 0.010 0.000 0.937 237 L HN 0.468 nan 8.230 nan 0.000 0.450 238 E N -0.461 119.728 120.200 -0.019 0.000 2.251 238 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 238 E C 2.132 178.714 176.600 -0.031 0.000 0.964 238 E CA 0.626 57.016 56.400 -0.016 0.000 0.868 238 E CB 0.136 29.829 29.700 -0.013 0.000 0.828 238 E HN 0.390 nan 8.360 nan 0.000 0.481 239 A N 0.964 123.750 122.820 -0.056 0.000 2.168 239 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 239 A C 1.990 179.501 177.584 -0.122 0.000 1.152 239 A CA 0.655 52.641 52.037 -0.085 0.000 0.716 239 A CB 0.088 19.022 19.000 -0.109 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.252 118.602 119.914 -0.100 0.000 3.621 240 V HA 0.140 4.260 4.120 -0.000 0.000 0.285 240 V C 2.326 178.433 176.094 0.021 0.000 1.346 240 V CA 0.834 63.087 62.300 -0.078 0.000 1.104 240 V CB 0.031 31.811 31.823 -0.071 0.000 0.913 240 V HN 0.533 nan 8.190 nan 0.000 0.432 241 A N -0.274 122.553 122.820 0.012 0.000 1.975 241 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 241 A C 1.446 179.053 177.584 0.038 0.000 1.170 241 A CA 0.718 52.773 52.037 0.030 0.000 0.656 241 A CB 0.021 19.032 19.000 0.018 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.148 118.268 120.400 0.027 0.000 2.118 242 K HA 0.430 4.750 4.320 -0.000 0.000 0.240 242 K C 1.074 177.718 176.600 0.074 0.000 1.035 242 K CA 0.305 56.614 56.287 0.036 0.000 0.899 242 K CB 0.317 32.827 32.500 0.016 0.000 1.085 242 K HN 0.600 nan 8.250 nan 0.000 0.498 243 A N 0.311 123.181 122.820 0.082 0.000 4.115 243 A HA -0.242 4.078 4.320 -0.000 0.000 0.268 243 A C 1.208 178.867 177.584 0.124 0.000 0.917 243 A CA 1.818 53.931 52.037 0.128 0.000 1.090 243 A CB -2.441 16.697 19.000 0.231 0.000 1.067 243 A HN 1.394 nan 8.150 nan 0.000 0.828 244 G N -1.245 107.618 108.800 0.105 0.000 2.321 244 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G C -0.016 174.940 174.900 0.093 0.000 1.018 244 G CA 1.515 46.666 45.100 0.085 0.000 0.855 244 G HN 1.167 nan 8.290 nan 0.000 0.507 245 K N 0.727 121.221 120.400 0.156 0.000 2.156 245 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 245 K C -2.014 174.689 176.600 0.171 0.000 0.950 245 K CA -1.996 54.364 56.287 0.122 0.000 0.849 245 K CB 2.337 34.857 32.500 0.032 0.000 1.100 245 K HN 0.068 nan 8.250 nan 0.000 0.434 246 P HA 0.118 nan 4.420 nan 0.000 0.274 246 P C -1.123 176.270 177.300 0.155 0.000 1.260 246 P CA -0.523 62.643 63.100 0.110 0.000 0.793 246 P CB 0.644 32.384 31.700 0.067 0.000 1.048 247 L N 0.338 121.636 121.223 0.126 0.000 2.401 247 L HA 0.560 4.900 4.340 -0.000 0.000 0.266 247 L C -1.412 175.498 176.870 0.067 0.000 0.991 247 L CA -1.035 53.885 54.840 0.133 0.000 0.818 247 L CB 1.687 43.820 42.059 0.122 0.000 1.321 247 L HN 0.173 nan 8.230 nan 0.000 0.413 248 L N 5.195 126.458 121.223 0.067 0.000 2.322 248 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 248 L C -1.208 175.680 176.870 0.029 0.000 1.014 248 L CA -0.219 54.635 54.840 0.023 0.000 0.815 248 L CB 1.410 43.490 42.059 0.035 0.000 1.247 248 L HN 0.428 nan 8.230 nan 0.000 0.421 249 I N 6.837 127.405 120.570 -0.003 0.000 2.362 249 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 249 I C -0.392 175.740 176.117 0.025 0.000 0.994 249 I CA -0.286 61.022 61.300 0.013 0.000 1.158 249 I CB 1.246 39.249 38.000 0.006 0.000 1.315 249 I HN 0.535 nan 8.210 nan 0.000 0.451 250 I N 5.713 126.304 120.570 0.034 0.000 2.439 250 I HA 0.679 4.849 4.170 -0.000 0.000 0.283 250 I C -0.039 176.083 176.117 0.009 0.000 1.023 250 I CA -0.237 61.080 61.300 0.030 0.000 1.100 250 I CB 1.793 39.811 38.000 0.031 0.000 1.238 250 I HN 0.710 nan 8.210 nan 0.000 0.445 251 A N 4.331 127.157 122.820 0.009 0.000 2.588 251 A HA 0.425 4.745 4.320 -0.000 0.000 0.290 251 A C 0.615 178.205 177.584 0.010 0.000 1.136 251 A CA -0.539 51.502 52.037 0.007 0.000 0.681 251 A CB 1.393 20.403 19.000 0.017 0.000 1.282 251 A HN 0.712 nan 8.150 nan 0.000 0.421 252 E N -0.583 119.625 120.200 0.012 0.000 2.147 252 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 252 E C 0.116 176.735 176.600 0.030 0.000 1.005 252 E CA 2.117 58.529 56.400 0.020 0.000 0.810 252 E CB 0.072 29.786 29.700 0.023 0.000 0.736 252 E HN 0.637 nan 8.360 nan 0.000 0.460 253 D N -3.086 117.334 120.400 0.034 0.000 2.940 253 D HA 0.116 4.756 4.640 -0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.049 0.000 1.255 253 D CA -0.374 53.653 54.000 0.045 0.000 0.734 253 D CB 1.036 41.863 40.800 0.044 0.000 1.261 253 D HN -0.134 nan 8.370 nan 0.000 0.436 254 V N 1.512 121.463 119.914 0.061 0.000 2.610 254 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 254 V C -0.571 175.566 176.094 0.071 0.000 1.067 254 V CA -0.684 61.656 62.300 0.068 0.000 0.894 254 V CB 1.600 33.475 31.823 0.086 0.000 1.015 254 V HN 0.444 nan 8.190 nan 0.000 0.432 255 E N 2.394 122.628 120.200 0.057 0.000 2.250 255 E HA 0.472 4.822 4.350 -0.000 0.000 0.269 255 E C 1.414 178.045 176.600 0.050 0.000 1.018 255 E CA -0.150 56.282 56.400 0.052 0.000 0.873 255 E CB 1.665 31.389 29.700 0.040 0.000 1.134 255 E HN 0.775 nan 8.360 nan 0.000 0.403 256 G N 1.689 110.516 108.800 0.046 0.000 3.710 256 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.250 256 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.250 256 G C 1.219 176.140 174.900 0.035 0.000 1.046 256 G CA 1.685 46.809 45.100 0.039 0.000 0.713 256 G HN 0.546 nan 8.290 nan 0.000 0.749 257 E N 0.710 120.930 120.200 0.033 0.000 2.002 257 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 257 E C 2.944 179.565 176.600 0.035 0.000 0.974 257 E CA 0.952 57.369 56.400 0.029 0.000 0.853 257 E CB -0.865 28.850 29.700 0.025 0.000 0.808 257 E HN 0.340 nan 8.360 nan 0.000 0.492 258 A N 1.015 123.859 122.820 0.041 0.000 2.234 258 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 258 A C 2.075 179.702 177.584 0.072 0.000 1.167 258 A CA 1.162 53.229 52.037 0.049 0.000 0.698 258 A CB -0.473 18.556 19.000 0.048 0.000 0.779 258 A HN 0.328 nan 8.150 nan 0.000 0.475 259 L N -0.608 120.661 121.223 0.076 0.000 2.056 259 L HA 0.205 4.545 4.340 -0.000 0.000 0.202 259 L C 2.511 179.427 176.870 0.076 0.000 1.086 259 L CA 2.117 57.021 54.840 0.107 0.000 0.758 259 L CB -1.000 41.121 42.059 0.104 0.000 0.912 259 L HN 0.225 nan 8.230 nan 0.000 0.446 260 A N -1.670 121.176 122.820 0.043 0.000 2.225 260 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 260 A C 2.054 179.635 177.584 -0.006 0.000 1.164 260 A CA 1.864 53.905 52.037 0.007 0.000 0.710 260 A CB -1.063 17.940 19.000 0.004 0.000 0.780 260 A HN 0.596 nan 8.150 nan 0.000 0.473 261 T N -0.079 114.487 114.554 0.019 0.000 2.814 261 T HA 0.051 4.401 4.350 -0.000 0.000 0.254 261 T C 1.758 176.473 174.700 0.025 0.000 1.037 261 T CA 1.176 63.286 62.100 0.017 0.000 1.143 261 T CB -0.241 68.645 68.868 0.030 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.104 122.367 121.223 0.067 0.000 2.156 262 L HA 0.001 4.340 4.340 -0.000 0.000 0.208 262 L C 2.535 179.435 176.870 0.051 0.000 1.095 262 L CA 0.598 55.505 54.840 0.112 0.000 0.770 262 L CB -0.726 41.467 42.059 0.223 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.419 119.466 119.914 -0.048 0.000 2.688 263 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 263 V C 2.142 178.109 176.094 -0.212 0.000 1.084 263 V CA 1.319 63.467 62.300 -0.254 0.000 1.103 263 V CB -0.187 31.508 31.823 -0.213 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -1.012 118.830 119.914 -0.120 0.000 3.048 264 V HA -0.014 4.106 4.120 -0.000 0.000 0.241 264 V C 1.913 177.969 176.094 -0.063 0.000 1.129 264 V CA 1.104 63.336 62.300 -0.115 0.000 1.128 264 V CB -0.479 31.288 31.823 -0.094 0.000 0.849 264 V HN 0.497 nan 8.190 nan 0.000 0.475 265 N N 0.994 119.681 118.700 -0.022 0.000 2.084 265 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 265 N C 1.781 177.301 175.510 0.015 0.000 1.030 265 N CA 1.913 54.965 53.050 0.003 0.000 0.849 265 N CB -0.052 38.450 38.487 0.025 0.000 1.012 265 N HN 0.588 nan 8.380 nan 0.000 0.423 266 T N -1.639 112.938 114.554 0.038 0.000 3.194 266 T HA 0.064 4.414 4.350 -0.000 0.000 0.251 266 T C 1.407 176.122 174.700 0.024 0.000 1.132 266 T CA 0.148 62.284 62.100 0.061 0.000 1.028 266 T CB 0.098 69.050 68.868 0.140 0.000 0.976 266 T HN 0.035 nan 8.240 nan 0.000 0.535 267 M N 0.641 120.226 119.600 -0.025 0.000 2.466 267 M HA 0.391 4.871 4.480 -0.000 0.000 0.265 267 M C 2.155 178.431 176.300 -0.040 0.000 1.122 267 M CA 1.038 56.302 55.300 -0.060 0.000 1.157 267 M CB 0.109 32.630 32.600 -0.133 0.000 1.352 267 M HN 0.061 nan 8.290 nan 0.000 0.464 268 R N -0.548 119.934 120.500 -0.030 0.000 2.297 268 R HA 0.293 4.633 4.340 -0.000 0.000 0.197 268 R C 0.878 177.176 176.300 -0.004 0.000 0.943 268 R CA 0.713 56.801 56.100 -0.020 0.000 1.038 268 R CB 0.090 30.378 30.300 -0.020 0.000 0.957 268 R HN 0.599 nan 8.270 nan 0.000 0.484 269 G N 1.127 109.931 108.800 0.007 0.000 2.148 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G C 0.117 175.031 174.900 0.023 0.000 0.993 269 G CA -0.528 44.583 45.100 0.018 0.000 0.661 269 G HN 0.208 nan 8.290 nan 0.000 0.518 270 I N 1.916 122.499 120.570 0.022 0.000 2.256 270 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 270 I C 0.828 176.969 176.117 0.039 0.000 1.127 270 I CA -0.783 60.532 61.300 0.025 0.000 1.247 270 I CB 0.637 38.648 38.000 0.017 0.000 1.460 270 I HN 0.098 nan 8.210 nan 0.000 0.511 271 V N 4.704 124.646 119.914 0.046 0.000 3.814 271 V HA -0.243 3.877 4.120 -0.000 0.000 0.480 271 V C 0.191 176.331 176.094 0.077 0.000 0.682 271 V CA 0.441 62.777 62.300 0.060 0.000 1.959 271 V CB -1.508 30.349 31.823 0.057 0.000 2.372 271 V HN 0.758 nan 8.190 nan 0.000 0.501 272 K N 3.981 124.431 120.400 0.083 0.000 2.368 272 K HA 0.698 5.018 4.320 -0.000 0.000 0.282 272 K C -0.175 176.495 176.600 0.116 0.000 1.035 272 K CA -0.135 56.215 56.287 0.106 0.000 0.973 272 K CB 1.350 33.907 32.500 0.095 0.000 0.957 272 K HN 0.530 nan 8.250 nan 0.000 0.474 273 V N 0.621 120.629 119.914 0.157 0.000 3.188 273 V HA 0.863 4.983 4.120 -0.000 0.000 0.305 273 V C -1.166 174.963 176.094 0.057 0.000 1.232 273 V CA -1.061 61.306 62.300 0.111 0.000 1.043 273 V CB 2.247 34.139 31.823 0.115 0.000 1.068 273 V HN 0.824 nan 8.190 nan 0.000 0.439 274 A N 1.342 124.038 122.820 -0.208 0.000 2.594 274 A HA 1.043 5.363 4.320 -0.000 0.000 0.295 274 A C -0.887 176.399 177.584 -0.497 0.000 1.071 274 A CA -0.049 51.505 52.037 -0.804 0.000 0.685 274 A CB 1.975 20.624 19.000 -0.586 0.000 1.285 274 A HN 1.953 nan 8.150 nan 0.000 0.405 275 A N 0.139 122.601 122.820 -0.596 0.000 2.515 275 A HA 0.937 5.257 4.320 -0.000 0.000 0.296 275 A C -0.663 176.869 177.584 -0.087 0.000 1.094 275 A CA -0.093 51.829 52.037 -0.192 0.000 0.718 275 A CB 1.571 20.536 19.000 -0.060 0.000 1.307 275 A HN 2.377 nan 8.150 nan 0.000 0.408 276 V N -1.483 118.440 119.914 0.016 0.000 3.048 276 V HA 0.552 4.672 4.120 -0.000 0.000 0.303 276 V C -0.635 175.514 176.094 0.092 0.000 1.214 276 V CA -1.334 61.015 62.300 0.082 0.000 0.984 276 V CB 1.322 33.221 31.823 0.128 0.000 1.054 276 V HN 0.912 nan 8.190 nan 0.000 0.430 277 K N 2.227 122.681 120.400 0.091 0.000 2.469 277 K HA 0.505 4.825 4.320 -0.000 0.000 0.274 277 K C 0.809 177.426 176.600 0.029 0.000 0.983 277 K CA 0.525 56.849 56.287 0.061 0.000 0.974 277 K CB 0.783 33.321 32.500 0.064 0.000 0.913 277 K HN 1.156 nan 8.250 nan 0.000 0.493 278 A N 4.334 127.140 122.820 -0.024 0.000 2.364 278 A HA 0.169 4.489 4.320 -0.000 0.000 0.258 278 A C -2.016 175.465 177.584 -0.171 0.000 1.131 278 A CA -0.712 51.249 52.037 -0.127 0.000 0.800 278 A CB -0.502 18.442 19.000 -0.092 0.000 1.086 278 A HN 0.549 nan 8.150 nan 0.000 0.508 279 P HA 0.410 nan 4.420 nan 0.000 0.284 279 P C 0.676 177.939 177.300 -0.062 0.000 1.253 279 P CA 1.099 64.056 63.100 -0.238 0.000 0.800 279 P CB 0.898 32.353 31.700 -0.409 0.000 0.961 280 G N 2.854 111.678 108.800 0.041 0.000 2.581 280 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.291 280 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.291 280 G C -0.521 174.539 174.900 0.267 0.000 1.277 280 G CA 0.713 45.906 45.100 0.155 0.000 0.959 280 G HN 0.770 nan 8.290 nan 0.000 0.554 281 F N -3.433 116.516 119.950 -0.003 0.000 2.831 281 F HA 0.729 5.256 4.527 -0.000 0.000 0.318 281 F C 0.926 176.732 175.800 0.010 0.000 1.174 281 F CA 0.388 58.389 58.000 0.002 0.000 0.918 281 F CB 0.704 39.712 39.000 0.013 0.000 1.364 281 F HN 2.454 nan 8.300 nan 0.000 0.475 282 G N 0.976 109.787 108.800 0.018 0.000 2.527 282 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.268 282 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.268 282 G C 0.137 174.979 174.900 -0.097 0.000 1.175 282 G CA 0.495 45.536 45.100 -0.098 0.000 0.962 282 G HN 0.913 nan 8.290 nan 0.000 0.560 283 D N 0.946 121.271 120.400 -0.124 0.000 2.271 283 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 283 D C 2.532 178.773 176.300 -0.098 0.000 0.967 283 D CA 1.162 55.112 54.000 -0.082 0.000 0.867 283 D CB -0.010 40.753 40.800 -0.061 0.000 0.960 283 D HN 0.631 nan 8.370 nan 0.000 0.509 284 R N 1.138 121.548 120.500 -0.150 0.000 2.276 284 R HA 0.064 4.404 4.340 -0.000 0.000 0.203 284 R C 2.091 178.319 176.300 -0.120 0.000 1.017 284 R CA 0.361 56.380 56.100 -0.136 0.000 1.010 284 R CB -0.240 29.959 30.300 -0.170 0.000 0.900 284 R HN 0.002 nan 8.270 nan 0.000 0.469 285 R N 2.105 122.536 120.500 -0.116 0.000 2.066 285 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 285 R C 1.226 177.485 176.300 -0.069 0.000 1.131 285 R CA 1.548 57.602 56.100 -0.078 0.000 0.955 285 R CB -0.050 30.232 30.300 -0.031 0.000 0.851 285 R HN 0.227 nan 8.270 nan 0.000 0.432 286 K N -0.107 120.260 120.400 -0.056 0.000 2.442 286 K HA -0.018 4.302 4.320 -0.000 0.000 0.198 286 K C 1.690 178.261 176.600 -0.049 0.000 1.042 286 K CA 0.895 57.155 56.287 -0.044 0.000 0.958 286 K CB 0.183 32.664 32.500 -0.032 0.000 0.766 286 K HN 0.270 nan 8.250 nan 0.000 0.474 287 A N 0.916 123.700 122.820 -0.059 0.000 1.909 287 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 287 A C 2.044 179.591 177.584 -0.062 0.000 1.247 287 A CA 0.256 52.260 52.037 -0.055 0.000 0.660 287 A CB -0.211 18.754 19.000 -0.057 0.000 0.910 287 A HN 0.047 nan 8.150 nan 0.000 0.465 288 M N -0.358 119.195 119.600 -0.079 0.000 2.082 288 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 288 M C 2.257 178.496 176.300 -0.102 0.000 1.069 288 M CA 1.872 57.118 55.300 -0.091 0.000 1.102 288 M CB -0.507 32.024 32.600 -0.115 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.211 121.367 121.223 -0.111 0.000 2.129 289 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 289 L C 2.493 179.324 176.870 -0.064 0.000 1.087 289 L CA 1.589 56.364 54.840 -0.108 0.000 0.757 289 L CB -0.267 41.737 42.059 -0.091 0.000 0.896 289 L HN 0.317 nan 8.230 nan 0.000 0.434 290 Q N 0.034 119.804 119.800 -0.050 0.000 2.167 290 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 290 Q C 1.664 177.650 176.000 -0.024 0.000 0.970 290 Q CA 1.990 57.775 55.803 -0.031 0.000 0.855 290 Q CB -0.175 28.546 28.738 -0.028 0.000 0.911 290 Q HN 0.546 nan 8.270 nan 0.000 0.438 291 D N 0.187 120.570 120.400 -0.030 0.000 2.084 291 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 291 D C 1.893 178.190 176.300 -0.004 0.000 0.990 291 D CA 1.435 55.426 54.000 -0.016 0.000 0.826 291 D CB -0.300 40.489 40.800 -0.018 0.000 0.971 291 D HN 0.357 nan 8.370 nan 0.000 0.453 292 I N 1.334 121.899 120.570 -0.010 0.000 2.300 292 I HA -0.323 3.847 4.170 -0.000 0.000 0.252 292 I C 2.428 178.557 176.117 0.020 0.000 1.119 292 I CA 1.077 62.386 61.300 0.016 0.000 1.384 292 I CB -0.209 37.789 38.000 -0.002 0.000 1.062 292 I HN -0.055 nan 8.210 nan 0.000 0.426 293 A N 0.410 123.234 122.820 0.006 0.000 1.855 293 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 293 A C 2.375 179.968 177.584 0.015 0.000 1.191 293 A CA 2.301 54.346 52.037 0.013 0.000 0.613 293 A CB -1.083 17.920 19.000 0.004 0.000 0.829 293 A HN 0.363 nan 8.150 nan 0.000 0.442 294 T N 0.734 115.293 114.554 0.009 0.000 2.720 294 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 294 T C 1.828 176.536 174.700 0.013 0.000 1.037 294 T CA 1.293 63.398 62.100 0.009 0.000 1.144 294 T CB -0.350 68.520 68.868 0.004 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.158 123.390 121.223 0.016 0.000 2.131 295 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 295 L C 1.866 178.750 176.870 0.024 0.000 1.092 295 L CA 2.163 57.015 54.840 0.021 0.000 0.759 295 L CB -1.232 40.844 42.059 0.029 0.000 0.903 295 L HN 0.457 nan 8.230 nan 0.000 0.435 296 T N -3.780 110.791 114.554 0.029 0.000 3.248 296 T HA 0.360 4.710 4.350 -0.000 0.000 0.271 296 T C 1.046 175.768 174.700 0.037 0.000 1.005 296 T CA 0.134 62.254 62.100 0.033 0.000 0.902 296 T CB -0.318 68.577 68.868 0.045 0.000 1.102 296 T HN 0.519 nan 8.240 nan 0.000 0.548 297 G N 0.195 109.013 108.800 0.030 0.000 2.393 297 G HA2 0.136 4.096 3.960 -0.000 0.000 0.299 297 G HA3 0.136 4.096 3.960 -0.000 0.000 0.299 297 G C 0.376 175.302 174.900 0.042 0.000 0.990 297 G CA -0.000 45.119 45.100 0.032 0.000 1.118 297 G HN 1.140 nan 8.290 nan 0.000 0.513 298 G N -1.586 107.236 108.800 0.037 0.000 3.135 298 G HA2 0.922 4.882 3.960 -0.000 0.000 0.278 298 G HA3 0.922 4.882 3.960 -0.000 0.000 0.278 298 G C -0.664 174.250 174.900 0.023 0.000 1.302 298 G CA 0.299 45.422 45.100 0.038 0.000 0.880 298 G HN 0.828 nan 8.290 nan 0.000 0.574 299 T N -0.453 114.112 114.554 0.018 0.000 2.909 299 T HA 0.526 4.876 4.350 -0.000 0.000 0.299 299 T C -0.613 174.090 174.700 0.005 0.000 1.073 299 T CA -0.367 61.738 62.100 0.009 0.000 0.999 299 T CB 1.966 70.838 68.868 0.006 0.000 1.098 299 T HN 0.421 nan 8.240 nan 0.000 0.477 300 V N 2.832 122.746 119.914 -0.000 0.000 2.583 300 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 300 V C 0.006 176.098 176.094 -0.004 0.000 1.051 300 V CA -0.463 61.834 62.300 -0.004 0.000 1.010 300 V CB 0.716 32.533 31.823 -0.010 0.000 0.988 300 V HN 0.724 nan 8.190 nan 0.000 0.478 301 I N 5.006 125.574 120.570 -0.003 0.000 2.412 301 I HA 0.333 4.503 4.170 -0.000 0.000 0.279 301 I C 0.282 176.398 176.117 -0.002 0.000 1.063 301 I CA 0.066 61.364 61.300 -0.002 0.000 1.193 301 I CB 0.932 38.931 38.000 -0.001 0.000 1.370 301 I HN 0.727 nan 8.210 nan 0.000 0.479 302 S N 2.699 118.397 115.700 -0.003 0.000 2.621 302 S HA 0.455 4.925 4.470 -0.000 0.000 0.302 302 S C 0.442 175.042 174.600 -0.001 0.000 1.093 302 S CA -0.833 57.366 58.200 -0.002 0.000 1.017 302 S CB 2.160 65.358 63.200 -0.004 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.355 120.555 120.200 0.001 0.000 2.442 303 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 303 E C 1.039 177.640 176.600 0.001 0.000 1.030 303 E CA 0.329 56.730 56.400 0.002 0.000 0.869 303 E CB -0.024 29.679 29.700 0.004 0.000 0.857 303 E HN 0.747 nan 8.360 nan 0.000 0.505 304 E N 0.435 120.635 120.200 0.000 0.000 2.338 304 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 304 E C 1.405 178.005 176.600 -0.001 0.000 1.007 304 E CA 0.669 57.069 56.400 -0.000 0.000 0.849 304 E CB 0.165 29.864 29.700 -0.001 0.000 0.774 304 E HN 0.340 nan 8.360 nan 0.000 0.506 305 I N -0.935 119.634 120.570 -0.001 0.000 4.154 305 I HA 0.193 4.363 4.170 -0.000 0.000 0.334 305 I C 0.878 176.994 176.117 -0.001 0.000 1.371 305 I CA 0.021 61.320 61.300 -0.002 0.000 1.110 305 I CB 1.016 39.014 38.000 -0.003 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.159 110.959 108.800 -0.001 0.000 2.165 306 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G C -0.011 174.889 174.900 -0.001 0.000 1.035 306 G CA -0.336 44.764 45.100 -0.000 0.000 0.744 306 G HN 0.237 nan 8.290 nan 0.000 0.501 307 M N 0.265 119.864 119.600 -0.001 0.000 2.300 307 M HA 0.527 5.007 4.480 -0.000 0.000 0.348 307 M C 0.213 176.513 176.300 -0.001 0.000 1.151 307 M CA -0.210 55.089 55.300 -0.002 0.000 1.046 307 M CB 1.468 34.066 32.600 -0.002 0.000 1.647 307 M HN 0.219 nan 8.290 nan 0.000 0.451 308 E N 2.021 122.220 120.200 -0.002 0.000 2.227 308 E HA 0.327 4.677 4.350 -0.000 0.000 0.268 308 E C 0.197 176.795 176.600 -0.003 0.000 0.907 308 E CA -0.559 55.840 56.400 -0.002 0.000 0.786 308 E CB 2.237 31.936 29.700 -0.002 0.000 1.191 308 E HN 0.681 nan 8.360 nan 0.000 0.411 309 L N 1.616 122.837 121.223 -0.002 0.000 2.456 309 L HA -0.143 4.197 4.340 -0.000 0.000 0.224 309 L C 1.420 178.286 176.870 -0.008 0.000 1.148 309 L CA 0.903 55.740 54.840 -0.004 0.000 0.825 309 L CB -0.206 41.853 42.059 0.001 0.000 0.937 309 L HN 0.520 nan 8.230 nan 0.000 0.450 310 E N 0.333 120.529 120.200 -0.006 0.000 2.170 310 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 310 E C 0.633 177.225 176.600 -0.012 0.000 0.981 310 E CA 0.791 57.186 56.400 -0.009 0.000 0.830 310 E CB 0.132 29.828 29.700 -0.005 0.000 0.775 310 E HN 0.258 nan 8.360 nan 0.000 0.470 311 K N 0.725 121.119 120.400 -0.011 0.000 2.765 311 K HA 0.527 4.847 4.320 -0.000 0.000 0.246 311 K C -0.932 175.659 176.600 -0.015 0.000 1.254 311 K CA -0.241 56.039 56.287 -0.012 0.000 1.219 311 K CB 0.977 33.472 32.500 -0.008 0.000 1.747 311 K HN -0.053 nan 8.250 nan 0.000 0.372 312 A N 1.115 123.922 122.820 -0.022 0.000 2.442 312 A HA 0.354 4.674 4.320 -0.000 0.000 0.284 312 A C 0.212 177.769 177.584 -0.044 0.000 1.058 312 A CA -0.758 51.262 52.037 -0.028 0.000 0.738 312 A CB 0.741 19.726 19.000 -0.026 0.000 1.242 312 A HN 0.377 nan 8.150 nan 0.000 0.421 313 T N 0.052 114.578 114.554 -0.046 0.000 2.994 313 T HA 0.482 4.832 4.350 -0.000 0.000 0.322 313 T C 1.079 175.715 174.700 -0.106 0.000 1.199 313 T CA -0.170 61.891 62.100 -0.066 0.000 0.945 313 T CB 0.044 68.884 68.868 -0.047 0.000 1.754 313 T HN 0.382 nan 8.240 nan 0.000 0.571 314 L N -0.031 121.111 121.223 -0.134 0.000 2.567 314 L HA 0.265 4.605 4.340 -0.000 0.000 0.225 314 L C 2.768 179.579 176.870 -0.099 0.000 1.119 314 L CA 0.510 55.211 54.840 -0.231 0.000 0.871 314 L CB -0.362 41.511 42.059 -0.311 0.000 1.036 314 L HN 0.798 nan 8.230 nan 0.000 0.459 315 E N 0.522 120.699 120.200 -0.038 0.000 2.158 315 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 315 E C 0.961 177.570 176.600 0.016 0.000 0.982 315 E CA 0.751 57.157 56.400 0.009 0.000 0.823 315 E CB 0.330 30.034 29.700 0.006 0.000 0.766 315 E HN 0.393 nan 8.360 nan 0.000 0.468 316 D N 0.371 120.768 120.400 -0.004 0.000 2.363 316 D HA -0.006 4.634 4.640 -0.000 0.000 0.226 316 D C -0.192 176.117 176.300 0.016 0.000 1.020 316 D CA 0.312 54.315 54.000 0.004 0.000 0.892 316 D CB 0.236 41.031 40.800 -0.008 0.000 0.900 316 D HN 0.118 nan 8.370 nan 0.000 0.531 317 L N 0.350 121.588 121.223 0.025 0.000 2.357 317 L HA 0.391 4.731 4.340 -0.000 0.000 0.273 317 L C 1.295 178.247 176.870 0.136 0.000 1.080 317 L CA -0.501 54.380 54.840 0.068 0.000 0.803 317 L CB 1.387 43.468 42.059 0.037 0.000 1.174 317 L HN -0.176 nan 8.230 nan 0.000 0.443 318 G N 1.089 109.967 108.800 0.129 0.000 2.572 318 G HA2 0.482 4.442 3.960 -0.000 0.000 0.261 318 G HA3 0.482 4.442 3.960 -0.000 0.000 0.261 318 G C -0.991 173.999 174.900 0.150 0.000 1.197 318 G CA -0.171 44.997 45.100 0.114 0.000 0.870 318 G HN 0.599 nan 8.290 nan 0.000 0.548 319 Q N -0.955 118.891 119.800 0.077 0.000 2.378 319 Q HA 0.552 4.892 4.340 -0.000 0.000 0.262 319 Q C -1.103 174.881 176.000 -0.028 0.000 0.978 319 Q CA -0.718 55.085 55.803 0.001 0.000 0.918 319 Q CB 1.811 30.529 28.738 -0.032 0.000 1.415 319 Q HN 0.966 nan 8.270 nan 0.000 0.409 320 A N 2.603 125.388 122.820 -0.057 0.000 2.524 320 A HA 0.605 4.925 4.320 -0.000 0.000 0.286 320 A C -0.799 176.743 177.584 -0.070 0.000 1.203 320 A CA -0.644 51.366 52.037 -0.045 0.000 0.736 320 A CB 1.592 20.580 19.000 -0.021 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.522 119.847 120.400 -0.051 0.000 2.397 321 K HA 0.312 4.632 4.320 -0.000 0.000 0.202 321 K C -0.035 176.538 176.600 -0.044 0.000 1.022 321 K CA 0.330 56.585 56.287 -0.053 0.000 1.141 321 K CB 0.358 32.833 32.500 -0.041 0.000 0.857 321 K HN 0.516 nan 8.250 nan 0.000 0.514 322 R N -0.010 120.466 120.500 -0.040 0.000 4.584 322 R HA 0.040 4.380 4.340 -0.000 0.000 0.251 322 R C -2.181 174.101 176.300 -0.030 0.000 0.957 322 R CA -0.483 55.598 56.100 -0.032 0.000 1.195 322 R CB 0.763 31.047 30.300 -0.027 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.214 120.111 119.914 -0.028 0.000 2.932 323 V HA 0.887 5.007 4.120 -0.000 0.000 0.307 323 V C -1.239 174.835 176.094 -0.034 0.000 1.147 323 V CA -0.720 61.558 62.300 -0.037 0.000 0.951 323 V CB 2.203 34.007 31.823 -0.032 0.000 1.031 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 V N 4.517 124.399 119.914 -0.053 0.000 2.914 324 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 324 V C -0.374 175.681 176.094 -0.066 0.000 1.084 324 V CA -0.502 61.775 62.300 -0.039 0.000 0.963 324 V CB 1.985 33.787 31.823 -0.036 0.000 1.025 324 V HN 1.080 nan 8.190 nan 0.000 0.432 325 I N 0.172 120.726 120.570 -0.026 0.000 2.576 325 I HA 0.506 4.676 4.170 -0.000 0.000 0.279 325 I C -0.111 175.994 176.117 -0.020 0.000 1.114 325 I CA -0.579 60.694 61.300 -0.046 0.000 1.076 325 I CB 1.171 39.163 38.000 -0.014 0.000 1.212 325 I HN 0.436 nan 8.210 nan 0.000 0.472 326 N N 4.602 123.243 118.700 -0.099 0.000 2.255 326 N HA 0.008 4.748 4.740 -0.000 0.000 0.260 326 N C 1.049 176.288 175.510 -0.452 0.000 1.288 326 N CA -0.054 52.915 53.050 -0.135 0.000 0.894 326 N CB 0.736 39.157 38.487 -0.110 0.000 1.033 326 N HN 0.678 nan 8.380 nan 0.000 0.477 327 K N 0.377 120.501 120.400 -0.459 0.000 2.148 327 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 327 K C -0.320 175.908 176.600 -0.619 0.000 1.050 327 K CA 1.794 57.617 56.287 -0.774 0.000 0.942 327 K CB 0.005 32.358 32.500 -0.245 0.000 0.724 327 K HN 0.607 nan 8.250 nan 0.000 0.446 328 D N -1.107 119.096 120.400 -0.329 0.000 2.822 328 D HA 0.102 4.742 4.640 -0.000 0.000 0.327 328 D C -1.139 175.084 176.300 -0.129 0.000 1.577 328 D CA -0.483 53.403 54.000 -0.191 0.000 0.785 328 D CB 0.869 41.606 40.800 -0.105 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.112 114.342 114.554 -0.167 0.000 3.293 329 T HA 0.459 4.809 4.350 -0.000 0.000 0.320 329 T C -0.405 174.166 174.700 -0.215 0.000 0.995 329 T CA -0.458 61.551 62.100 -0.152 0.000 1.041 329 T CB 1.927 70.726 68.868 -0.115 0.000 1.058 329 T HN -0.051 nan 8.240 nan 0.000 0.453 330 T N 1.737 116.078 114.554 -0.354 0.000 2.884 330 T HA 0.814 5.164 4.350 -0.000 0.000 0.277 330 T C -0.029 174.356 174.700 -0.526 0.000 0.976 330 T CA -0.566 61.234 62.100 -0.501 0.000 0.956 330 T CB 1.447 69.786 68.868 -0.882 0.000 1.113 330 T HN 0.722 nan 8.240 nan 0.000 0.554 331 T N 0.847 115.129 114.554 -0.452 0.000 4.349 331 T HA 0.301 4.651 4.350 -0.000 0.000 0.404 331 T C -1.595 173.000 174.700 -0.175 0.000 0.993 331 T CA -0.596 61.327 62.100 -0.295 0.000 1.025 331 T CB -0.225 68.532 68.868 -0.186 0.000 1.219 331 T HN 0.455 nan 8.240 nan 0.000 0.451 332 I N 5.787 126.285 120.570 -0.120 0.000 2.353 332 I HA 0.518 4.688 4.170 -0.000 0.000 0.293 332 I C 0.008 176.107 176.117 -0.030 0.000 0.992 332 I CA -0.952 60.323 61.300 -0.042 0.000 1.268 332 I CB 1.426 39.439 38.000 0.021 0.000 1.387 332 I HN 0.566 nan 8.210 nan 0.000 0.478 333 I N 5.459 126.013 120.570 -0.027 0.000 2.389 333 I HA 0.216 4.386 4.170 -0.000 0.000 0.288 333 I C -0.675 175.430 176.117 -0.018 0.000 0.999 333 I CA -0.520 60.765 61.300 -0.024 0.000 1.129 333 I CB 1.421 39.404 38.000 -0.028 0.000 1.288 333 I HN 0.610 nan 8.210 nan 0.000 0.444 334 D N 4.640 125.032 120.400 -0.014 0.000 4.867 334 D HA -0.115 4.525 4.640 -0.000 0.000 0.238 334 D C -0.225 176.069 176.300 -0.012 0.000 1.114 334 D CA 1.200 55.193 54.000 -0.012 0.000 1.283 334 D CB 0.181 40.971 40.800 -0.016 0.000 0.739 334 D HN 0.814 nan 8.370 nan 0.000 0.371 335 G N 1.611 110.409 108.800 -0.004 0.000 2.454 335 G HA2 0.505 4.465 3.960 -0.000 0.000 0.329 335 G HA3 0.505 4.465 3.960 -0.000 0.000 0.329 335 G C 1.164 176.064 174.900 -0.001 0.000 1.177 335 G CA -0.424 44.676 45.100 -0.001 0.000 0.951 335 G HN 0.456 nan 8.290 nan 0.000 0.485 336 V N 1.180 121.094 119.914 0.000 0.000 2.720 336 V HA -0.005 4.115 4.120 -0.000 0.000 0.256 336 V C 2.166 178.265 176.094 0.009 0.000 1.082 336 V CA 1.103 63.405 62.300 0.003 0.000 1.101 336 V CB -1.264 30.564 31.823 0.009 0.000 0.693 336 V HN 0.845 nan 8.190 nan 0.000 0.479 337 G N 1.199 110.006 108.800 0.012 0.000 2.187 337 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.239 337 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.239 337 G C -0.068 174.837 174.900 0.008 0.000 1.200 337 G CA -0.096 45.011 45.100 0.012 0.000 0.888 337 G HN 0.580 nan 8.290 nan 0.000 0.482 338 E N 1.813 122.018 120.200 0.008 0.000 2.331 338 E HA 0.068 4.418 4.350 -0.000 0.000 0.272 338 E C 0.664 177.266 176.600 0.004 0.000 1.036 338 E CA -0.235 56.168 56.400 0.005 0.000 0.864 338 E CB 1.353 31.056 29.700 0.006 0.000 1.035 338 E HN 0.654 nan 8.360 nan 0.000 0.408 339 E N 1.342 121.543 120.200 0.002 0.000 2.527 339 E HA -0.160 4.190 4.350 -0.000 0.000 0.204 339 E C 0.977 177.578 176.600 0.001 0.000 1.132 339 E CA 0.216 56.617 56.400 0.001 0.000 0.905 339 E CB 0.004 29.704 29.700 0.000 0.000 0.875 339 E HN 0.502 nan 8.360 nan 0.000 0.548 340 A N 1.194 124.015 122.820 0.002 0.000 1.884 340 A HA 0.224 4.544 4.320 -0.000 0.000 0.212 340 A C 2.293 179.878 177.584 0.001 0.000 1.265 340 A CA 0.758 52.796 52.037 0.001 0.000 0.626 340 A CB -0.405 18.596 19.000 0.002 0.000 0.943 340 A HN 0.279 nan 8.150 nan 0.000 0.466 341 A N -0.499 122.323 122.820 0.002 0.000 2.121 341 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 341 A C 1.953 179.538 177.584 0.001 0.000 1.154 341 A CA 1.152 53.190 52.037 0.002 0.000 0.679 341 A CB -0.553 18.449 19.000 0.003 0.000 0.795 341 A HN 0.493 nan 8.150 nan 0.000 0.458 342 I N -1.635 118.936 120.570 0.002 0.000 2.339 342 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 342 I C 2.543 178.660 176.117 -0.001 0.000 1.096 342 I CA 1.160 62.461 61.300 0.001 0.000 1.408 342 I CB -0.162 37.839 38.000 0.003 0.000 1.092 342 I HN 0.294 nan 8.210 nan 0.000 0.423 343 Q N 1.264 121.064 119.800 -0.001 0.000 2.364 343 Q HA -0.074 4.266 4.340 -0.000 0.000 0.207 343 Q C 1.867 177.865 176.000 -0.003 0.000 0.970 343 Q CA 1.576 57.378 55.803 -0.002 0.000 0.888 343 Q CB -0.312 28.425 28.738 -0.002 0.000 0.951 343 Q HN 0.474 nan 8.270 nan 0.000 0.469 344 G N -0.580 108.219 108.800 -0.002 0.000 2.459 344 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.213 344 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.213 344 G C 1.519 176.417 174.900 -0.005 0.000 1.155 344 G CA 0.402 45.500 45.100 -0.003 0.000 0.811 344 G HN 0.281 nan 8.290 nan 0.000 0.534 345 R N 0.514 121.012 120.500 -0.004 0.000 2.115 345 R HA 0.034 4.374 4.340 -0.000 0.000 0.230 345 R C 2.362 178.657 176.300 -0.008 0.000 1.111 345 R CA 1.216 57.312 56.100 -0.007 0.000 0.976 345 R CB -0.695 29.601 30.300 -0.006 0.000 0.870 345 R HN 0.207 nan 8.270 nan 0.000 0.445 346 V N 0.559 120.469 119.914 -0.007 0.000 2.358 346 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 346 V C 2.322 178.411 176.094 -0.009 0.000 1.047 346 V CA 1.769 64.064 62.300 -0.008 0.000 1.035 346 V CB -0.851 30.968 31.823 -0.006 0.000 0.658 346 V HN 0.509 nan 8.190 nan 0.000 0.452 347 A N -0.710 122.106 122.820 -0.007 0.000 1.933 347 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 347 A C 2.189 179.768 177.584 -0.009 0.000 1.175 347 A CA 1.819 53.851 52.037 -0.007 0.000 0.628 347 A CB -0.424 18.573 19.000 -0.006 0.000 0.814 347 A HN 0.625 nan 8.150 nan 0.000 0.444 348 Q N -0.647 119.148 119.800 -0.009 0.000 2.119 348 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 348 Q C 1.910 177.902 176.000 -0.013 0.000 0.972 348 Q CA 1.428 57.224 55.803 -0.011 0.000 0.847 348 Q CB -0.233 28.499 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.136 120.425 120.570 -0.015 0.000 2.617 349 I HA -0.151 4.019 4.170 -0.000 0.000 0.256 349 I C 2.361 178.467 176.117 -0.018 0.000 1.167 349 I CA 0.499 61.787 61.300 -0.019 0.000 1.469 349 I CB -0.101 37.886 38.000 -0.021 0.000 1.098 349 I HN 0.071 nan 8.210 nan 0.000 0.436 350 R N 0.901 121.393 120.500 -0.014 0.000 2.148 350 R HA -0.146 4.194 4.340 -0.000 0.000 0.227 350 R C 2.202 178.494 176.300 -0.012 0.000 1.103 350 R CA 1.294 57.387 56.100 -0.013 0.000 0.983 350 R CB 0.025 30.318 30.300 -0.010 0.000 0.874 350 R HN 0.400 nan 8.270 nan 0.000 0.451 351 Q N -0.840 118.953 119.800 -0.012 0.000 2.250 351 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 351 Q C 1.745 177.737 176.000 -0.012 0.000 0.941 351 Q CA 0.520 56.317 55.803 -0.011 0.000 0.872 351 Q CB 0.394 29.127 28.738 -0.009 0.000 0.965 351 Q HN 0.372 nan 8.270 nan 0.000 0.480 352 Q N 0.380 120.171 119.800 -0.015 0.000 2.248 352 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 352 Q C 1.913 177.903 176.000 -0.018 0.000 0.984 352 Q CA 1.116 56.909 55.803 -0.018 0.000 0.875 352 Q CB -0.150 28.574 28.738 -0.023 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.719 121.278 120.570 -0.018 0.000 2.617 353 I HA -0.176 3.994 4.170 -0.000 0.000 0.256 353 I C 2.011 178.121 176.117 -0.011 0.000 1.167 353 I CA 0.618 61.907 61.300 -0.017 0.000 1.469 353 I CB -0.192 37.797 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.491 121.685 120.200 -0.010 0.000 2.046 354 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 354 E C 1.183 177.780 176.600 -0.005 0.000 0.982 354 E CA 1.048 57.444 56.400 -0.007 0.000 0.800 354 E CB -0.309 29.387 29.700 -0.006 0.000 0.756 354 E HN 0.582 nan 8.360 nan 0.000 0.449 355 E N 1.139 121.335 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.602 4.350 -0.000 0.000 0.195 355 E C -0.237 176.361 176.600 -0.003 0.000 1.171 355 E CA -0.305 56.092 56.400 -0.004 0.000 1.142 355 E CB 0.219 29.916 29.700 -0.005 0.000 1.218 355 E HN 0.080 nan 8.360 nan 0.000 0.448 356 A N 1.244 124.062 122.820 -0.003 0.000 2.454 356 A HA 0.143 4.463 4.320 -0.000 0.000 0.260 356 A C 1.267 178.854 177.584 0.005 0.000 1.106 356 A CA -0.171 51.865 52.037 -0.001 0.000 0.780 356 A CB 0.144 19.142 19.000 -0.003 0.000 1.044 356 A HN 0.284 nan 8.150 nan 0.000 0.498 357 T N -0.882 113.678 114.554 0.010 0.000 3.001 357 T HA 0.359 4.709 4.350 -0.000 0.000 0.251 357 T C 0.662 175.374 174.700 0.021 0.000 1.040 357 T CA 0.599 62.706 62.100 0.013 0.000 0.985 357 T CB -0.047 68.828 68.868 0.012 0.000 1.011 357 T HN 0.788 nan 8.240 nan 0.000 0.509 358 S N -0.757 114.961 115.700 0.030 0.000 2.618 358 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 358 S C -0.379 174.253 174.600 0.053 0.000 1.138 358 S CA -0.581 57.647 58.200 0.046 0.000 0.844 358 S CB 1.696 64.936 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.608 121.049 120.400 0.068 0.000 2.183 359 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 359 D C 1.209 177.567 176.300 0.098 0.000 0.969 359 D CA 1.138 55.179 54.000 0.067 0.000 0.842 359 D CB -0.131 40.709 40.800 0.066 0.000 0.957 359 D HN 0.582 nan 8.370 nan 0.000 0.484 360 Y N 2.150 122.448 120.300 -0.005 0.000 2.092 360 Y HA -0.193 4.357 4.550 -0.000 0.000 0.282 360 Y C 1.688 177.580 175.900 -0.014 0.000 1.126 360 Y CA 1.750 59.846 58.100 -0.007 0.000 1.111 360 Y CB -0.466 37.990 38.460 -0.007 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.430 120.021 120.400 0.085 0.000 2.220 361 D HA -0.243 4.397 4.640 -0.000 0.000 0.198 361 D C 2.233 178.487 176.300 -0.076 0.000 1.001 361 D CA 1.730 55.718 54.000 -0.019 0.000 0.875 361 D CB -0.205 40.612 40.800 0.029 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.397 120.868 120.500 -0.048 0.000 2.064 362 R HA -0.123 4.217 4.340 -0.000 0.000 0.228 362 R C 1.973 178.221 176.300 -0.087 0.000 1.144 362 R CA 1.129 57.199 56.100 -0.050 0.000 0.932 362 R CB 0.066 30.354 30.300 -0.020 0.000 0.833 362 R HN 0.070 nan 8.270 nan 0.000 0.429 363 E N 1.148 121.284 120.200 -0.106 0.000 2.045 363 E HA -0.251 4.099 4.350 -0.000 0.000 0.212 363 E C 1.673 178.175 176.600 -0.163 0.000 1.039 363 E CA 1.410 57.734 56.400 -0.127 0.000 0.860 363 E CB -0.332 29.279 29.700 -0.148 0.000 0.776 363 E HN 0.215 nan 8.360 nan 0.000 0.467 364 K N 0.602 120.837 120.400 -0.275 0.000 2.589 364 K HA -0.063 4.257 4.320 -0.000 0.000 0.195 364 K C 2.044 178.554 176.600 -0.150 0.000 1.040 364 K CA 0.483 56.624 56.287 -0.245 0.000 0.950 364 K CB -0.256 32.025 32.500 -0.365 0.000 0.781 364 K HN 0.269 nan 8.250 nan 0.000 0.486 365 L N -0.613 120.540 121.223 -0.118 0.000 2.425 365 L HA 0.022 4.362 4.340 -0.000 0.000 0.215 365 L C 2.061 178.896 176.870 -0.057 0.000 1.065 365 L CA 0.262 55.055 54.840 -0.078 0.000 0.842 365 L CB -0.074 41.946 42.059 -0.065 0.000 1.033 365 L HN 0.101 nan 8.230 nan 0.000 0.474 366 Q N 0.088 119.854 119.800 -0.057 0.000 2.297 366 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 366 Q C 1.683 177.661 176.000 -0.036 0.000 0.962 366 Q CA 0.980 56.760 55.803 -0.040 0.000 0.879 366 Q CB 0.214 28.931 28.738 -0.035 0.000 0.947 366 Q HN 0.502 nan 8.270 nan 0.000 0.462 367 E N 0.533 120.704 120.200 -0.048 0.000 2.051 367 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 367 E C 2.022 178.605 176.600 -0.027 0.000 0.979 367 E CA 0.296 56.674 56.400 -0.036 0.000 0.803 367 E CB 0.104 29.776 29.700 -0.047 0.000 0.761 367 E HN 0.179 nan 8.360 nan 0.000 0.451 368 R N 0.710 121.187 120.500 -0.039 0.000 2.105 368 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 368 R C 2.565 178.854 176.300 -0.019 0.000 1.135 368 R CA 1.642 57.724 56.100 -0.030 0.000 0.967 368 R CB -0.380 29.894 30.300 -0.044 0.000 0.861 368 R HN 0.207 nan 8.270 nan 0.000 0.442 369 V N -2.483 117.418 119.914 -0.021 0.000 2.302 369 V HA -0.021 4.099 4.120 -0.000 0.000 0.243 369 V C 2.352 178.441 176.094 -0.009 0.000 1.036 369 V CA 1.438 63.729 62.300 -0.015 0.000 1.020 369 V CB -1.237 30.576 31.823 -0.017 0.000 0.657 369 V HN 0.211 nan 8.190 nan 0.000 0.453 370 A N 1.070 123.884 122.820 -0.010 0.000 1.859 370 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 370 A C 2.319 179.902 177.584 -0.001 0.000 1.209 370 A CA 2.942 54.975 52.037 -0.007 0.000 0.639 370 A CB -0.937 18.058 19.000 -0.008 0.000 0.835 370 A HN 0.625 nan 8.150 nan 0.000 0.450 371 K N -1.371 119.032 120.400 0.005 0.000 2.218 371 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 371 K C 1.724 178.334 176.600 0.017 0.000 1.046 371 K CA 1.440 57.737 56.287 0.016 0.000 0.933 371 K CB -0.248 32.273 32.500 0.034 0.000 0.728 371 K HN 0.407 nan 8.250 nan 0.000 0.454 372 L N -0.768 120.462 121.223 0.011 0.000 2.477 372 L HA 0.118 4.458 4.340 -0.000 0.000 0.220 372 L C 1.704 178.576 176.870 0.004 0.000 1.106 372 L CA 0.772 55.617 54.840 0.010 0.000 0.851 372 L CB 0.250 42.312 42.059 0.005 0.000 0.994 372 L HN 0.028 nan 8.230 nan 0.000 0.462 373 A N -1.294 121.527 122.820 0.001 0.000 1.993 373 A HA 0.346 4.666 4.320 -0.000 0.000 0.207 373 A C 1.812 179.395 177.584 -0.002 0.000 1.224 373 A CA 0.519 52.555 52.037 -0.002 0.000 0.749 373 A CB -0.669 18.328 19.000 -0.004 0.000 0.884 373 A HN 0.321 nan 8.150 nan 0.000 0.467 374 G N 0.257 109.056 108.800 -0.003 0.000 3.474 374 G HA2 0.421 4.381 3.960 -0.000 0.000 0.269 374 G HA3 0.421 4.381 3.960 -0.000 0.000 0.269 374 G C 1.037 175.934 174.900 -0.005 0.000 1.339 374 G CA 0.599 45.696 45.100 -0.005 0.000 1.258 374 G HN 0.777 nan 8.290 nan 0.000 0.560 375 G N 0.220 109.018 108.800 -0.003 0.000 3.304 375 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.859 375 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.859 375 G C 0.147 175.041 174.900 -0.008 0.000 0.958 375 G CA 1.079 46.177 45.100 -0.003 0.000 0.765 375 G HN 0.945 nan 8.290 nan 0.000 1.149 376 V N -0.592 119.315 119.914 -0.012 0.000 2.971 376 V HA 0.709 4.829 4.120 -0.000 0.000 0.309 376 V C 0.396 176.479 176.094 -0.018 0.000 1.130 376 V CA -0.390 61.900 62.300 -0.018 0.000 0.964 376 V CB 1.671 33.481 31.823 -0.022 0.000 1.029 376 V HN 1.401 nan 8.190 nan 0.000 0.427 377 A N 2.636 125.442 122.820 -0.022 0.000 2.309 377 A HA 0.803 5.123 4.320 -0.000 0.000 0.298 377 A C -0.695 176.876 177.584 -0.021 0.000 1.165 377 A CA -0.443 51.582 52.037 -0.020 0.000 0.821 377 A CB 1.094 20.081 19.000 -0.022 0.000 1.102 377 A HN 0.795 nan 8.150 nan 0.000 0.500 378 V N 4.535 124.439 119.914 -0.017 0.000 2.409 378 V HA 0.311 4.431 4.120 -0.000 0.000 0.290 378 V C -0.562 175.525 176.094 -0.012 0.000 1.017 378 V CA -0.103 62.187 62.300 -0.016 0.000 0.841 378 V CB 1.257 33.071 31.823 -0.014 0.000 1.003 378 V HN 0.752 nan 8.190 nan 0.000 0.426 379 I N 5.541 126.104 120.570 -0.012 0.000 2.328 379 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 379 I C 0.124 176.237 176.117 -0.006 0.000 1.012 379 I CA -0.536 60.759 61.300 -0.008 0.000 1.195 379 I CB 1.195 39.191 38.000 -0.008 0.000 1.350 379 I HN 0.441 nan 8.210 nan 0.000 0.464 380 K N 6.185 126.582 120.400 -0.005 0.000 2.266 380 K HA 0.367 4.687 4.320 -0.000 0.000 0.274 380 K C -0.285 176.314 176.600 -0.002 0.000 1.090 380 K CA -0.572 55.713 56.287 -0.004 0.000 0.925 380 K CB 1.248 33.745 32.500 -0.004 0.000 1.225 380 K HN 0.342 nan 8.250 nan 0.000 0.458 381 V N 2.436 122.350 119.914 -0.000 0.000 3.083 381 V HA -0.132 3.988 4.120 -0.000 0.000 0.303 381 V C 1.659 177.753 176.094 0.001 0.000 1.151 381 V CA 0.493 62.794 62.300 0.001 0.000 1.275 381 V CB 0.129 31.954 31.823 0.003 0.000 0.950 381 V HN 0.951 nan 8.190 nan 0.000 0.506 382 G N 1.264 110.065 108.800 0.001 0.000 2.393 382 G HA2 0.514 4.474 3.960 -0.000 0.000 0.268 382 G HA3 0.514 4.474 3.960 -0.000 0.000 0.268 382 G C 0.120 175.021 174.900 0.001 0.000 1.472 382 G CA 0.458 45.559 45.100 0.001 0.000 1.059 382 G HN 1.371 nan 8.290 nan 0.000 0.555 383 A N -3.513 119.308 122.820 0.001 0.000 5.139 383 A HA 0.843 5.163 4.320 -0.000 0.000 0.164 383 A C 0.074 177.659 177.584 0.002 0.000 0.803 383 A CA 0.744 52.782 52.037 0.002 0.000 1.038 383 A CB -0.292 18.709 19.000 0.001 0.000 2.123 383 A HN 2.575 nan 8.150 nan 0.000 0.998 384 A N -0.598 122.223 122.820 0.002 0.000 3.033 384 A HA 0.573 4.893 4.320 -0.000 0.000 0.262 384 A C 1.018 178.603 177.584 0.002 0.000 1.301 384 A CA 1.153 53.191 52.037 0.001 0.000 0.727 384 A CB -2.617 16.384 19.000 0.001 0.000 1.094 384 A HN 3.567 nan 8.150 nan 0.000 0.374 385 T N -2.165 112.391 114.554 0.002 0.000 0.541 385 T HA -0.090 4.260 4.350 -0.000 0.000 0.774 385 T C 0.381 175.083 174.700 0.003 0.000 0.992 385 T CA 1.507 63.609 62.100 0.002 0.000 4.077 385 T CB -1.027 67.842 68.868 0.002 0.000 2.303 385 T HN 1.899 nan 8.240 nan 0.000 0.398 386 E N 0.936 121.138 120.200 0.003 0.000 2.085 386 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 386 E C 2.184 178.786 176.600 0.004 0.000 0.994 386 E CA 2.033 58.435 56.400 0.004 0.000 0.801 386 E CB -0.176 29.526 29.700 0.004 0.000 0.743 386 E HN 0.645 nan 8.360 nan 0.000 0.453 387 V N 1.366 121.283 119.914 0.004 0.000 2.332 387 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 387 V C 2.059 178.155 176.094 0.004 0.000 1.055 387 V CA 2.248 64.551 62.300 0.004 0.000 1.038 387 V CB -0.523 31.302 31.823 0.004 0.000 0.651 387 V HN 0.308 nan 8.190 nan 0.000 0.450 388 E N -0.804 119.399 120.200 0.004 0.000 2.158 388 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 388 E C 2.190 178.792 176.600 0.004 0.000 0.982 388 E CA 0.841 57.244 56.400 0.004 0.000 0.823 388 E CB -0.192 29.510 29.700 0.003 0.000 0.766 388 E HN 0.417 nan 8.360 nan 0.000 0.468 389 M N 1.253 120.855 119.600 0.004 0.000 2.086 389 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 389 M C 1.560 177.863 176.300 0.006 0.000 1.067 389 M CA 1.507 56.810 55.300 0.004 0.000 1.116 389 M CB -0.136 32.466 32.600 0.004 0.000 1.348 389 M HN -0.149 nan 8.290 nan 0.000 0.407 390 K N 0.136 120.539 120.400 0.006 0.000 2.439 390 K HA -0.108 4.212 4.320 -0.000 0.000 0.197 390 K C 1.737 178.341 176.600 0.008 0.000 1.041 390 K CA 0.757 57.049 56.287 0.008 0.000 0.970 390 K CB -0.193 32.312 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.946 121.150 120.200 0.007 0.000 2.166 391 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 391 E C 1.875 178.480 176.600 0.008 0.000 0.967 391 E CA 0.440 56.844 56.400 0.007 0.000 0.840 391 E CB 0.286 29.990 29.700 0.006 0.000 0.795 391 E HN 0.078 nan 8.360 nan 0.000 0.470 392 K N 1.173 121.578 120.400 0.007 0.000 2.062 392 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 392 K C 2.239 178.845 176.600 0.010 0.000 1.051 392 K CA 1.172 57.464 56.287 0.008 0.000 0.941 392 K CB 0.014 32.517 32.500 0.006 0.000 0.719 392 K HN -0.089 nan 8.250 nan 0.000 0.440 393 K N 0.344 120.750 120.400 0.010 0.000 2.059 393 K HA -0.226 4.094 4.320 -0.000 0.000 0.212 393 K C 1.900 178.510 176.600 0.017 0.000 1.050 393 K CA 1.622 57.916 56.287 0.012 0.000 0.927 393 K CB -0.216 32.290 32.500 0.011 0.000 0.714 393 K HN 0.217 nan 8.250 nan 0.000 0.447 394 A N 1.408 124.237 122.820 0.016 0.000 1.845 394 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 394 A C 2.057 179.654 177.584 0.021 0.000 1.195 394 A CA 1.615 53.663 52.037 0.019 0.000 0.616 394 A CB -0.574 18.434 19.000 0.013 0.000 0.832 394 A HN 0.373 nan 8.150 nan 0.000 0.443 395 R N -0.618 119.892 120.500 0.016 0.000 2.170 395 R HA -0.106 4.234 4.340 -0.000 0.000 0.242 395 R C 1.924 178.238 176.300 0.023 0.000 1.145 395 R CA 1.310 57.420 56.100 0.017 0.000 0.984 395 R CB -0.580 29.728 30.300 0.012 0.000 0.869 395 R HN 0.423 nan 8.270 nan 0.000 0.455 396 V N 1.033 120.961 119.914 0.023 0.000 2.283 396 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 396 V C 1.991 178.109 176.094 0.040 0.000 1.039 396 V CA 1.733 64.047 62.300 0.024 0.000 1.016 396 V CB -0.347 31.486 31.823 0.017 0.000 0.650 396 V HN 0.320 nan 8.190 nan 0.000 0.449 397 E N 0.443 120.674 120.200 0.052 0.000 2.049 397 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 397 E C 2.309 178.999 176.600 0.149 0.000 1.007 397 E CA 1.559 58.018 56.400 0.098 0.000 0.809 397 E CB -0.436 29.324 29.700 0.100 0.000 0.749 397 E HN 0.582 nan 8.360 nan 0.000 0.450 398 A N 1.430 124.304 122.820 0.090 0.000 1.883 398 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 398 A C 2.372 180.010 177.584 0.090 0.000 1.186 398 A CA 2.059 54.138 52.037 0.070 0.000 0.624 398 A CB -0.837 18.177 19.000 0.024 0.000 0.822 398 A HN 0.320 nan 8.150 nan 0.000 0.444 399 A N -0.335 122.524 122.820 0.064 0.000 1.832 399 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 399 A C 2.137 179.755 177.584 0.057 0.000 1.200 399 A CA 1.778 53.845 52.037 0.050 0.000 0.610 399 A CB -0.934 18.084 19.000 0.030 0.000 0.842 399 A HN 0.971 nan 8.150 nan 0.000 0.444 400 L N -0.301 120.949 121.223 0.045 0.000 2.010 400 L HA -0.292 4.048 4.340 -0.000 0.000 0.219 400 L C 2.266 179.144 176.870 0.013 0.000 1.077 400 L CA 2.819 57.666 54.840 0.012 0.000 0.773 400 L CB -1.225 40.825 42.059 -0.015 0.000 0.892 400 L HN 0.575 nan 8.230 nan 0.000 0.436 401 H N -0.126 118.944 119.070 -0.001 0.000 2.355 401 H HA -0.211 4.345 4.556 -0.000 0.000 0.293 401 H C 2.075 177.404 175.328 0.002 0.000 1.060 401 H CA 2.276 58.324 56.048 0.000 0.000 1.167 401 H CB -0.650 29.113 29.762 0.002 0.000 1.376 401 H HN 0.530 nan 8.280 nan 0.000 0.549 402 A N 0.017 122.943 122.820 0.176 0.000 1.997 402 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 402 A C 2.680 180.299 177.584 0.057 0.000 1.172 402 A CA 2.340 54.433 52.037 0.093 0.000 0.645 402 A CB -1.025 18.012 19.000 0.061 0.000 0.813 402 A HN 0.530 nan 8.150 nan 0.000 0.454 403 T N -0.865 113.716 114.554 0.045 0.000 2.643 403 T HA -0.152 4.198 4.350 -0.000 0.000 0.264 403 T C 2.168 176.876 174.700 0.013 0.000 1.045 403 T CA 1.359 63.472 62.100 0.022 0.000 1.155 403 T CB -0.273 68.602 68.868 0.011 0.000 0.863 403 T HN 0.367 nan 8.240 nan 0.000 0.420 404 R N 1.264 121.764 120.500 0.001 0.000 2.159 404 R HA -0.115 4.225 4.340 -0.000 0.000 0.249 404 R C 2.416 178.720 176.300 0.007 0.000 1.136 404 R CA 1.975 58.068 56.100 -0.012 0.000 0.951 404 R CB -1.234 29.040 30.300 -0.044 0.000 0.876 404 R HN 0.455 nan 8.270 nan 0.000 0.440 405 A N -0.500 122.336 122.820 0.026 0.000 2.216 405 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 405 A C 2.045 179.642 177.584 0.023 0.000 1.160 405 A CA 1.519 53.575 52.037 0.032 0.000 0.725 405 A CB -0.256 18.776 19.000 0.053 0.000 0.784 405 A HN 0.430 nan 8.150 nan 0.000 0.472 406 A N -0.979 121.852 122.820 0.019 0.000 1.942 406 A HA 0.240 4.560 4.320 -0.000 0.000 0.209 406 A C 2.007 179.597 177.584 0.010 0.000 1.214 406 A CA 0.973 53.019 52.037 0.015 0.000 0.686 406 A CB -0.541 18.468 19.000 0.015 0.000 0.871 406 A HN 0.277 nan 8.150 nan 0.000 0.460 407 V N 0.716 120.635 119.914 0.007 0.000 2.324 407 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 407 V C 2.391 178.487 176.094 0.003 0.000 1.060 407 V CA 2.500 64.801 62.300 0.003 0.000 1.042 407 V CB -0.863 30.959 31.823 -0.001 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.047 120.155 120.200 0.004 0.000 2.006 408 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 408 E C 1.582 178.184 176.600 0.004 0.000 0.993 408 E CA 1.430 57.833 56.400 0.004 0.000 0.808 408 E CB -0.049 29.654 29.700 0.006 0.000 0.764 408 E HN 0.659 nan 8.360 nan 0.000 0.449 409 E N -0.323 119.881 120.200 0.006 0.000 2.651 409 E HA 0.250 4.600 4.350 -0.000 0.000 0.208 409 E C 0.135 176.738 176.600 0.006 0.000 0.997 409 E CA 0.020 56.422 56.400 0.004 0.000 1.020 409 E CB 1.294 30.995 29.700 0.002 0.000 1.052 409 E HN 0.326 nan 8.360 nan 0.000 0.465 410 G N 1.086 109.891 108.800 0.007 0.000 2.593 410 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.237 410 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.237 410 G C -0.270 174.637 174.900 0.011 0.000 1.312 410 G CA -0.333 44.772 45.100 0.009 0.000 0.896 410 G HN 0.629 nan 8.290 nan 0.000 0.574 411 V N -3.006 116.915 119.914 0.012 0.000 3.114 411 V HA 0.975 5.095 4.120 -0.000 0.000 0.308 411 V C -0.161 175.942 176.094 0.015 0.000 1.168 411 V CA 0.379 62.687 62.300 0.014 0.000 1.015 411 V CB 1.476 33.308 31.823 0.015 0.000 1.050 411 V HN 2.631 nan 8.190 nan 0.000 0.433 412 V N 2.175 122.099 119.914 0.016 0.000 3.178 412 V HA 0.892 5.012 4.120 -0.000 0.000 0.302 412 V C 0.486 176.592 176.094 0.020 0.000 1.262 412 V CA -0.245 62.066 62.300 0.018 0.000 1.030 412 V CB 1.872 33.704 31.823 0.016 0.000 1.074 412 V HN 2.665 nan 8.190 nan 0.000 0.438 413 A N 3.675 126.510 122.820 0.025 0.000 2.500 413 A HA 0.397 4.717 4.320 -0.000 0.000 0.286 413 A C 1.077 178.675 177.584 0.023 0.000 1.170 413 A CA 1.101 53.155 52.037 0.028 0.000 0.951 413 A CB -1.366 17.656 19.000 0.037 0.000 0.965 413 A HN 2.088 nan 8.150 nan 0.000 0.551 414 G N 1.422 110.234 108.800 0.020 0.000 2.468 414 G HA2 0.506 4.466 3.960 -0.000 0.000 0.264 414 G HA3 0.506 4.466 3.960 -0.000 0.000 0.264 414 G C 1.264 176.174 174.900 0.017 0.000 1.460 414 G CA -0.048 45.062 45.100 0.017 0.000 1.060 414 G HN 2.214 nan 8.290 nan 0.000 0.543 415 G N -2.211 106.597 108.800 0.015 0.000 2.249 415 G HA2 0.224 4.184 3.960 -0.000 0.000 0.273 415 G HA3 0.224 4.184 3.960 -0.000 0.000 0.273 415 G C 1.509 176.416 174.900 0.011 0.000 1.036 415 G CA 1.178 46.288 45.100 0.016 0.000 0.824 415 G HN 2.483 nan 8.290 nan 0.000 0.504 416 G N -2.788 106.016 108.800 0.007 0.000 2.268 416 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.240 416 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.240 416 G C 1.960 176.862 174.900 0.003 0.000 1.010 416 G CA 1.832 46.932 45.100 -0.000 0.000 0.618 416 G HN 2.039 nan 8.290 nan 0.000 0.516 417 V N -0.743 119.177 119.914 0.010 0.000 2.270 417 V HA 0.253 4.373 4.120 -0.000 0.000 0.245 417 V C 3.118 179.224 176.094 0.019 0.000 1.043 417 V CA 2.463 64.772 62.300 0.016 0.000 1.014 417 V CB -1.810 30.026 31.823 0.023 0.000 0.645 417 V HN 1.760 nan 8.190 nan 0.000 0.447 418 A N 1.533 124.364 122.820 0.020 0.000 1.899 418 A HA -0.306 4.014 4.320 -0.000 0.000 0.230 418 A C 2.278 179.872 177.584 0.016 0.000 1.593 418 A CA 3.229 55.277 52.037 0.019 0.000 0.728 418 A CB -1.146 17.863 19.000 0.015 0.000 0.848 418 A HN 0.635 nan 8.150 nan 0.000 0.490 419 L N -0.976 120.254 121.223 0.011 0.000 1.988 419 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 419 L C 2.616 179.492 176.870 0.011 0.000 1.071 419 L CA 1.676 56.521 54.840 0.009 0.000 0.744 419 L CB -0.786 41.276 42.059 0.005 0.000 0.893 419 L HN 0.446 nan 8.230 nan 0.000 0.433 420 I N -0.308 120.268 120.570 0.010 0.000 2.315 420 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 420 I C 2.806 178.935 176.117 0.020 0.000 1.125 420 I CA 0.927 62.235 61.300 0.012 0.000 1.392 420 I CB -0.457 37.549 38.000 0.011 0.000 1.065 420 I HN 0.288 nan 8.210 nan 0.000 0.424 421 R N 1.473 121.988 120.500 0.025 0.000 2.082 421 R HA -0.104 4.236 4.340 -0.000 0.000 0.228 421 R C 2.201 178.515 176.300 0.025 0.000 1.140 421 R CA 1.828 57.948 56.100 0.033 0.000 0.920 421 R CB -1.113 29.210 30.300 0.038 0.000 0.828 421 R HN 0.090 nan 8.270 nan 0.000 0.430 422 V N 1.291 121.216 119.914 0.019 0.000 2.218 422 V HA -0.347 3.773 4.120 -0.000 0.000 0.251 422 V C 2.275 178.376 176.094 0.012 0.000 1.057 422 V CA 2.612 64.920 62.300 0.014 0.000 1.022 422 V CB -1.249 30.580 31.823 0.009 0.000 0.645 422 V HN 0.626 nan 8.190 nan 0.000 0.451 423 A N 0.227 123.053 122.820 0.010 0.000 2.245 423 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 423 A C 2.328 179.918 177.584 0.010 0.000 1.171 423 A CA 2.103 54.145 52.037 0.009 0.000 0.688 423 A CB -0.624 18.380 19.000 0.007 0.000 0.781 423 A HN 0.801 nan 8.150 nan 0.000 0.479 424 S N -1.049 114.659 115.700 0.015 0.000 2.478 424 S HA 0.050 4.520 4.470 -0.000 0.000 0.222 424 S C 1.662 176.271 174.600 0.014 0.000 1.008 424 S CA 0.704 58.914 58.200 0.016 0.000 0.928 424 S CB -0.017 63.197 63.200 0.024 0.000 0.781 424 S HN 0.623 nan 8.310 nan 0.000 0.518 425 K N 1.416 121.824 120.400 0.013 0.000 2.044 425 K HA 0.266 4.586 4.320 -0.000 0.000 0.204 425 K C 1.250 177.855 176.600 0.008 0.000 1.045 425 K CA 0.742 57.035 56.287 0.011 0.000 0.951 425 K CB -0.436 32.071 32.500 0.011 0.000 0.738 425 K HN 0.303 nan 8.250 nan 0.000 0.443 426 L N 1.738 122.965 121.223 0.007 0.000 2.962 426 L HA -0.046 4.294 4.340 -0.000 0.000 0.263 426 L C 1.731 178.603 176.870 0.004 0.000 1.152 426 L CA -0.322 54.521 54.840 0.005 0.000 0.954 426 L CB -0.743 41.318 42.059 0.004 0.000 1.213 426 L HN 0.203 nan 8.230 nan 0.000 0.422 427 A N -0.674 122.149 122.820 0.005 0.000 2.172 427 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 427 A C 1.757 179.342 177.584 0.003 0.000 1.154 427 A CA 1.138 53.178 52.037 0.004 0.000 0.701 427 A CB -0.141 18.862 19.000 0.005 0.000 0.789 427 A HN 0.391 nan 8.150 nan 0.000 0.465 428 D N -1.143 119.258 120.400 0.003 0.000 2.389 428 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 428 D C 0.340 176.641 176.300 0.001 0.000 1.055 428 D CA -0.209 53.793 54.000 0.002 0.000 0.856 428 D CB 0.040 40.841 40.800 0.002 0.000 0.957 428 D HN 0.347 nan 8.370 nan 0.000 0.509 429 L N 2.226 123.450 121.223 0.002 0.000 2.540 429 L HA 0.013 4.353 4.340 -0.000 0.000 0.276 429 L C 0.168 177.038 176.870 0.001 0.000 1.212 429 L CA 0.743 55.584 54.840 0.001 0.000 0.893 429 L CB 0.086 42.145 42.059 0.001 0.000 1.138 429 L HN -0.166 nan 8.230 nan 0.000 0.491 430 R N 3.120 123.620 120.500 0.000 0.000 2.855 430 R HA 0.705 5.045 4.340 -0.000 0.000 0.266 430 R C -0.230 176.070 176.300 -0.000 0.000 1.034 430 R CA -0.324 55.776 56.100 -0.000 0.000 0.944 430 R CB 1.481 31.781 30.300 -0.000 0.000 1.219 430 R HN 0.802 nan 8.270 nan 0.000 0.474 431 G N -0.323 108.477 108.800 -0.001 0.000 3.122 431 G HA2 0.215 4.175 3.960 -0.000 0.000 0.180 431 G HA3 0.215 4.175 3.960 -0.000 0.000 0.180 431 G C 0.053 174.953 174.900 -0.001 0.000 1.279 431 G CA -0.162 44.937 45.100 -0.001 0.000 0.987 431 G HN 0.416 nan 8.290 nan 0.000 0.589 432 Q N -0.378 119.421 119.800 -0.001 0.000 2.204 432 Q HA 0.119 4.459 4.340 -0.000 0.000 0.198 432 Q C -0.104 175.895 176.000 -0.002 0.000 0.946 432 Q CA 0.631 56.433 55.803 -0.001 0.000 0.859 432 Q CB 0.174 28.911 28.738 -0.002 0.000 0.946 432 Q HN 0.590 nan 8.270 nan 0.000 0.474 433 N N -1.490 117.209 118.700 -0.002 0.000 2.321 433 N HA 0.399 5.139 4.740 -0.000 0.000 0.290 433 N C -0.027 175.482 175.510 -0.001 0.000 1.212 433 N CA -0.031 53.018 53.050 -0.002 0.000 0.767 433 N CB 0.677 39.163 38.487 -0.002 0.000 1.494 433 N HN -0.073 nan 8.380 nan 0.000 0.479 434 A N 0.414 123.233 122.820 -0.001 0.000 1.903 434 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 434 A C 1.014 178.597 177.584 -0.001 0.000 1.191 434 A CA 2.083 54.119 52.037 -0.001 0.000 0.638 434 A CB -1.011 17.988 19.000 -0.001 0.000 0.823 434 A HN 0.756 nan 8.150 nan 0.000 0.451 435 D N -1.163 119.236 120.400 -0.001 0.000 2.411 435 D HA -0.068 4.572 4.640 -0.000 0.000 0.226 435 D C 1.666 177.965 176.300 -0.001 0.000 0.988 435 D CA 1.013 55.012 54.000 -0.002 0.000 0.938 435 D CB -0.049 40.750 40.800 -0.002 0.000 0.883 435 D HN 0.733 nan 8.370 nan 0.000 0.525 436 Q N -0.972 118.827 119.800 -0.001 0.000 2.422 436 Q HA 0.089 4.429 4.340 -0.000 0.000 0.255 436 Q C 1.404 177.404 176.000 -0.000 0.000 0.864 436 Q CA -0.216 55.586 55.803 -0.001 0.000 0.968 436 Q CB 0.523 29.260 28.738 -0.001 0.000 1.130 436 Q HN 0.026 nan 8.270 nan 0.000 0.556 437 N N 0.176 118.876 118.700 -0.000 0.000 2.166 437 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 437 N C 1.669 177.179 175.510 0.000 0.000 1.019 437 N CA 1.081 54.131 53.050 -0.000 0.000 0.856 437 N CB 0.001 38.488 38.487 -0.000 0.000 0.993 437 N HN 0.046 nan 8.380 nan 0.000 0.426 438 V N 0.649 120.563 119.914 -0.000 0.000 2.548 438 V HA -0.064 4.056 4.120 -0.000 0.000 0.249 438 V C 2.278 178.372 176.094 0.000 0.000 1.055 438 V CA 1.688 63.988 62.300 0.000 0.000 1.065 438 V CB -0.973 30.850 31.823 -0.000 0.000 0.681 438 V HN 0.321 nan 8.190 nan 0.000 0.462 439 G N -0.494 108.306 108.800 0.000 0.000 2.535 439 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 439 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 439 G C 1.393 176.294 174.900 0.001 0.000 1.122 439 G CA 0.695 45.796 45.100 0.001 0.000 0.769 439 G HN 0.509 nan 8.290 nan 0.000 0.549 440 I N -0.479 120.092 120.570 0.001 0.000 2.594 440 I HA 0.049 4.219 4.170 -0.000 0.000 0.237 440 I C 2.398 178.516 176.117 0.001 0.000 1.071 440 I CA 0.191 61.491 61.300 0.001 0.000 1.427 440 I CB -0.117 37.883 38.000 0.001 0.000 1.218 440 I HN -0.162 nan 8.210 nan 0.000 0.444 441 K N 1.009 121.410 120.400 0.001 0.000 2.163 441 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 441 K C 2.069 178.670 176.600 0.001 0.000 1.048 441 K CA 1.236 57.523 56.287 0.001 0.000 0.928 441 K CB -1.024 31.477 32.500 0.001 0.000 0.716 441 K HN 0.197 nan 8.250 nan 0.000 0.459 442 V N 1.190 121.105 119.914 0.001 0.000 2.295 442 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 442 V C 2.403 178.498 176.094 0.002 0.000 1.049 442 V CA 2.007 64.308 62.300 0.002 0.000 1.024 442 V CB -0.696 31.128 31.823 0.002 0.000 0.648 442 V HN 0.369 nan 8.190 nan 0.000 0.447 443 A N -0.859 121.962 122.820 0.002 0.000 2.067 443 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 443 A C 2.133 179.718 177.584 0.002 0.000 1.158 443 A CA 1.456 53.495 52.037 0.003 0.000 0.661 443 A CB -0.337 18.665 19.000 0.002 0.000 0.801 443 A HN 0.534 nan 8.150 nan 0.000 0.452 444 L N -1.557 119.667 121.223 0.002 0.000 2.062 444 L HA -0.012 4.328 4.340 -0.000 0.000 0.202 444 L C 2.619 179.490 176.870 0.002 0.000 1.079 444 L CA 1.232 56.074 54.840 0.002 0.000 0.755 444 L CB -0.586 41.475 42.059 0.003 0.000 0.913 444 L HN 0.367 nan 8.230 nan 0.000 0.445 445 R N 0.877 121.378 120.500 0.001 0.000 2.276 445 R HA -0.180 4.160 4.340 -0.000 0.000 0.243 445 R C 1.627 177.926 176.300 -0.001 0.000 1.161 445 R CA 1.285 57.385 56.100 0.000 0.000 1.007 445 R CB -0.087 30.213 30.300 0.000 0.000 0.867 445 R HN 0.389 nan 8.270 nan 0.000 0.472 446 A N -0.467 122.354 122.820 0.001 0.000 2.307 446 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 446 A C 1.451 179.036 177.584 0.001 0.000 1.228 446 A CA -0.111 51.927 52.037 0.001 0.000 0.857 446 A CB 0.106 19.108 19.000 0.003 0.000 0.897 446 A HN 0.311 nan 8.150 nan 0.000 0.495 447 M N -1.358 118.242 119.600 0.001 0.000 2.461 447 M HA 0.120 4.600 4.480 -0.000 0.000 0.255 447 M C 1.034 177.333 176.300 -0.002 0.000 1.137 447 M CA 0.446 55.747 55.300 0.001 0.000 1.086 447 M CB 0.155 32.757 32.600 0.002 0.000 1.356 447 M HN 0.329 nan 8.290 nan 0.000 0.487 448 E N 1.082 121.280 120.200 -0.004 0.000 2.511 448 E HA 0.046 4.396 4.350 -0.000 0.000 0.196 448 E C 1.720 178.311 176.600 -0.015 0.000 1.066 448 E CA 0.173 56.568 56.400 -0.009 0.000 0.871 448 E CB 0.150 29.845 29.700 -0.008 0.000 0.863 448 E HN 0.457 nan 8.360 nan 0.000 0.520 449 A N 2.040 124.853 122.820 -0.011 0.000 1.826 449 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 449 A C -0.384 177.190 177.584 -0.017 0.000 1.212 449 A CA 0.634 52.663 52.037 -0.013 0.000 0.605 449 A CB -1.429 17.567 19.000 -0.007 0.000 0.861 449 A HN 0.075 nan 8.150 nan 0.000 0.447 450 P HA -0.215 nan 4.420 nan 0.000 0.219 450 P C 1.664 178.950 177.300 -0.024 0.000 1.158 450 P CA 1.433 64.525 63.100 -0.013 0.000 0.895 450 P CB -0.059 31.637 31.700 -0.006 0.000 0.792 451 L N -0.712 120.493 121.223 -0.030 0.000 1.961 451 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 451 L C 2.398 179.224 176.870 -0.073 0.000 1.075 451 L CA 1.759 56.568 54.840 -0.051 0.000 0.749 451 L CB -0.893 41.135 42.059 -0.053 0.000 0.890 451 L HN -0.290 nan 8.230 nan 0.000 0.433 452 R N -0.998 119.463 120.500 -0.065 0.000 2.257 452 R HA -0.310 4.030 4.340 -0.000 0.000 0.265 452 R C 2.241 178.503 176.300 -0.064 0.000 1.191 452 R CA 1.921 57.981 56.100 -0.068 0.000 1.010 452 R CB -0.324 29.950 30.300 -0.043 0.000 0.883 452 R HN 0.490 nan 8.270 nan 0.000 0.473 453 Q N 0.485 120.254 119.800 -0.051 0.000 2.013 453 Q HA -0.002 4.338 4.340 -0.000 0.000 0.195 453 Q C 1.887 177.859 176.000 -0.048 0.000 0.974 453 Q CA 1.411 57.190 55.803 -0.041 0.000 0.826 453 Q CB -0.045 28.677 28.738 -0.026 0.000 0.895 453 Q HN 0.336 nan 8.270 nan 0.000 0.448 454 I N -0.053 120.489 120.570 -0.048 0.000 2.248 454 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 454 I C 1.941 178.016 176.117 -0.069 0.000 1.107 454 I CA 0.906 62.181 61.300 -0.043 0.000 1.373 454 I CB -0.610 37.372 38.000 -0.029 0.000 1.055 454 I HN 0.016 nan 8.210 nan 0.000 0.418 455 V N 0.933 120.770 119.914 -0.127 0.000 2.867 455 V HA -0.205 3.915 4.120 -0.000 0.000 0.260 455 V C 2.225 178.253 176.094 -0.110 0.000 1.099 455 V CA 1.330 63.513 62.300 -0.194 0.000 1.122 455 V CB -0.388 31.265 31.823 -0.284 0.000 0.708 455 V HN 0.369 nan 8.190 nan 0.000 0.490 456 L N 0.166 121.345 121.223 -0.073 0.000 2.249 456 L HA 0.181 4.521 4.340 -0.000 0.000 0.207 456 L C 1.815 178.667 176.870 -0.030 0.000 1.090 456 L CA 1.327 56.140 54.840 -0.046 0.000 0.802 456 L CB -0.479 41.557 42.059 -0.038 0.000 0.947 456 L HN 0.258 nan 8.230 nan 0.000 0.453 457 N N -1.305 117.379 118.700 -0.026 0.000 2.575 457 N HA -0.051 4.689 4.740 -0.000 0.000 0.192 457 N C 0.660 176.166 175.510 -0.007 0.000 1.200 457 N CA 0.682 53.723 53.050 -0.014 0.000 0.897 457 N CB -0.327 38.153 38.487 -0.011 0.000 0.990 457 N HN 0.370 nan 8.380 nan 0.000 0.449 458 C N -1.483 117.811 119.300 -0.010 0.000 3.525 458 C HA 0.390 4.850 4.460 -0.000 0.000 0.289 458 C C 1.629 176.621 174.990 0.002 0.000 1.496 458 C CA -0.327 58.694 59.018 0.005 0.000 1.804 458 C CB -0.439 27.315 27.740 0.023 0.000 2.708 458 C HN 0.484 nan 8.230 nan 0.000 0.642 459 G N 1.762 110.558 108.800 -0.007 0.000 2.180 459 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.263 459 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.263 459 G C -0.246 174.651 174.900 -0.005 0.000 0.989 459 G CA 0.536 45.633 45.100 -0.005 0.000 0.692 459 G HN 0.566 nan 8.290 nan 0.000 0.526 460 E N 0.978 121.170 120.200 -0.014 0.000 2.156 460 E HA 0.282 4.632 4.350 -0.000 0.000 0.279 460 E C 0.444 177.020 176.600 -0.041 0.000 0.965 460 E CA -0.534 55.857 56.400 -0.015 0.000 0.789 460 E CB 0.765 30.459 29.700 -0.009 0.000 1.098 460 E HN 0.577 nan 8.360 nan 0.000 0.397 461 E N 4.253 124.440 120.200 -0.021 0.000 2.752 461 E HA -0.097 4.253 4.350 -0.000 0.000 0.241 461 E C -1.561 175.008 176.600 -0.051 0.000 1.016 461 E CA -0.813 55.572 56.400 -0.025 0.000 0.952 461 E CB 0.237 29.934 29.700 -0.005 0.000 0.921 461 E HN 0.209 nan 8.360 nan 0.000 0.515 462 P HA -0.140 nan 4.420 nan 0.000 0.219 462 P C 1.028 178.295 177.300 -0.056 0.000 1.150 462 P CA 0.808 63.856 63.100 -0.086 0.000 0.814 462 P CB 0.310 31.967 31.700 -0.072 0.000 0.787 463 S N -0.271 115.409 115.700 -0.033 0.000 2.390 463 S HA -0.186 4.284 4.470 -0.000 0.000 0.234 463 S C 1.924 176.518 174.600 -0.010 0.000 1.063 463 S CA 1.925 60.114 58.200 -0.017 0.000 1.108 463 S CB -1.618 61.576 63.200 -0.009 0.000 0.975 463 S HN -0.006 nan 8.310 nan 0.000 0.442 464 V N 1.251 121.163 119.914 -0.004 0.000 2.249 464 V HA -0.079 4.041 4.120 -0.000 0.000 0.239 464 V C 2.353 178.465 176.094 0.030 0.000 1.038 464 V CA 1.247 63.559 62.300 0.020 0.000 1.005 464 V CB -1.022 30.826 31.823 0.042 0.000 0.646 464 V HN 0.363 nan 8.190 nan 0.000 0.455 465 V N 0.734 120.653 119.914 0.008 0.000 2.353 465 V HA -0.401 3.719 4.120 -0.000 0.000 0.260 465 V C 2.608 178.705 176.094 0.005 0.000 1.091 465 V CA 2.497 64.791 62.300 -0.009 0.000 1.088 465 V CB -1.342 30.268 31.823 -0.354 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.222 123.022 122.820 -0.033 0.000 1.832 466 A HA -0.234 4.086 4.320 -0.000 0.000 0.214 466 A C 2.053 179.645 177.584 0.014 0.000 1.204 466 A CA 1.851 53.878 52.037 -0.017 0.000 0.606 466 A CB -0.897 18.086 19.000 -0.028 0.000 0.849 466 A HN 0.608 nan 8.150 nan 0.000 0.445 467 N N -0.510 118.198 118.700 0.013 0.000 2.096 467 N HA -0.188 4.552 4.740 -0.000 0.000 0.195 467 N C 1.587 177.114 175.510 0.030 0.000 1.017 467 N CA 2.709 55.770 53.050 0.019 0.000 0.870 467 N CB -0.500 37.997 38.487 0.016 0.000 1.024 467 N HN 0.391 nan 8.380 nan 0.000 0.434 468 T N -0.872 113.705 114.554 0.038 0.000 2.812 468 T HA -0.004 4.346 4.350 -0.000 0.000 0.264 468 T C 1.830 176.556 174.700 0.043 0.000 1.042 468 T CA 1.072 63.184 62.100 0.019 0.000 1.140 468 T CB -0.222 68.627 68.868 -0.032 0.000 0.870 468 T HN 0.067 nan 8.240 nan 0.000 0.445 469 V N 1.410 121.356 119.914 0.052 0.000 2.626 469 V HA -0.120 4.000 4.120 -0.000 0.000 0.252 469 V C 2.382 178.529 176.094 0.088 0.000 1.067 469 V CA 1.437 63.753 62.300 0.028 0.000 1.081 469 V CB -0.439 31.397 31.823 0.021 0.000 0.686 469 V HN 0.447 nan 8.190 nan 0.000 0.468 470 K N 0.428 120.868 120.400 0.066 0.000 2.031 470 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 470 K C 2.008 178.651 176.600 0.072 0.000 1.049 470 K CA 1.193 57.516 56.287 0.060 0.000 0.939 470 K CB -0.566 31.955 32.500 0.035 0.000 0.717 470 K HN 0.527 nan 8.250 nan 0.000 0.438 471 G N 0.708 109.549 108.800 0.067 0.000 2.894 471 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.203 471 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.203 471 G C 0.450 175.385 174.900 0.059 0.000 1.173 471 G CA 0.668 45.799 45.100 0.051 0.000 0.854 471 G HN 0.373 nan 8.290 nan 0.000 0.510 472 G N -0.463 108.403 108.800 0.110 0.000 3.291 472 G HA2 0.616 4.576 3.960 -0.000 0.000 0.173 472 G HA3 0.616 4.576 3.960 -0.000 0.000 0.173 472 G C -1.239 173.706 174.900 0.075 0.000 1.099 472 G CA 0.157 45.302 45.100 0.076 0.000 0.794 472 G HN 0.407 nan 8.290 nan 0.000 0.651 473 D N -3.095 117.365 120.400 0.099 0.000 2.913 473 D HA 0.518 5.158 4.640 -0.000 0.000 0.293 473 D C 0.396 176.754 176.300 0.097 0.000 1.238 473 D CA 0.662 54.709 54.000 0.079 0.000 0.738 473 D CB 0.322 41.140 40.800 0.030 0.000 1.254 473 D HN 1.946 nan 8.370 nan 0.000 0.429 474 G N 0.128 108.973 108.800 0.075 0.000 2.553 474 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 474 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 474 G C -0.167 174.796 174.900 0.104 0.000 1.277 474 G CA 0.058 45.203 45.100 0.075 0.000 0.910 474 G HN 0.795 nan 8.290 nan 0.000 0.576 475 N N -0.017 118.747 118.700 0.107 0.000 2.322 475 N HA 0.178 4.918 4.740 -0.000 0.000 0.216 475 N C 0.087 175.693 175.510 0.160 0.000 1.144 475 N CA -0.166 52.948 53.050 0.106 0.000 0.830 475 N CB 0.164 38.696 38.487 0.076 0.000 1.034 475 N HN 0.488 nan 8.380 nan 0.000 0.484 476 Y N 1.478 121.807 120.300 0.048 0.000 2.605 476 Y HA 0.284 4.834 4.550 -0.000 0.000 0.336 476 Y C 0.575 176.540 175.900 0.108 0.000 1.111 476 Y CA -0.231 57.911 58.100 0.069 0.000 1.422 476 Y CB -0.017 38.471 38.460 0.048 0.000 1.193 476 Y HN -0.027 nan 8.280 nan 0.000 0.526 477 G N 4.644 113.348 108.800 -0.159 0.000 3.247 477 G HA2 0.313 4.273 3.960 -0.000 0.000 0.226 477 G HA3 0.313 4.273 3.960 -0.000 0.000 0.226 477 G C -2.206 172.651 174.900 -0.072 0.000 1.220 477 G CA -0.890 44.125 45.100 -0.142 0.000 0.875 477 G HN 0.602 nan 8.290 nan 0.000 0.606 478 Y N 0.870 121.078 120.300 -0.153 0.000 2.361 478 Y HA 0.553 5.103 4.550 -0.000 0.000 0.337 478 Y C -0.579 175.190 175.900 -0.217 0.000 0.965 478 Y CA -1.205 56.716 58.100 -0.299 0.000 1.091 478 Y CB 1.799 40.036 38.460 -0.372 0.000 1.182 478 Y HN 0.442 nan 8.280 nan 0.000 0.450 479 N N 4.457 122.911 118.700 -0.409 0.000 2.430 479 N HA 0.202 4.942 4.740 -0.000 0.000 0.265 479 N C 0.530 175.881 175.510 -0.265 0.000 1.100 479 N CA 0.751 53.657 53.050 -0.241 0.000 0.961 479 N CB 1.797 40.142 38.487 -0.237 0.000 1.075 479 N HN 0.978 nan 8.380 nan 0.000 0.478 480 A N 4.528 127.384 122.820 0.060 0.000 1.858 480 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 480 A C 2.067 179.668 177.584 0.030 0.000 1.190 480 A CA 2.024 54.165 52.037 0.172 0.000 0.617 480 A CB -1.010 18.055 19.000 0.108 0.000 0.827 480 A HN 0.756 nan 8.150 nan 0.000 0.443 481 A N -0.460 122.344 122.820 -0.026 0.000 1.858 481 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 481 A C 2.484 180.020 177.584 -0.080 0.000 1.190 481 A CA 2.855 54.867 52.037 -0.041 0.000 0.617 481 A CB -1.484 17.495 19.000 -0.035 0.000 0.827 481 A HN 0.881 nan 8.150 nan 0.000 0.443 482 T N -3.490 110.984 114.554 -0.134 0.000 3.055 482 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 482 T C 0.541 175.107 174.700 -0.224 0.000 1.111 482 T CA 1.104 63.112 62.100 -0.154 0.000 1.118 482 T CB -0.393 68.384 68.868 -0.151 0.000 0.909 482 T HN 0.595 nan 8.240 nan 0.000 0.501 483 E N 0.545 120.526 120.200 -0.365 0.000 2.791 483 E HA -0.128 4.222 4.350 -0.000 0.000 0.271 483 E C -0.801 175.444 176.600 -0.592 0.000 1.044 483 E CA 0.765 56.879 56.400 -0.477 0.000 0.814 483 E CB -1.160 28.445 29.700 -0.158 0.000 1.400 483 E HN 0.689 nan 8.360 nan 0.000 0.423 484 E N -0.449 119.361 120.200 -0.650 0.000 2.314 484 E HA 0.386 4.736 4.350 -0.000 0.000 0.272 484 E C -0.234 176.067 176.600 -0.499 0.000 0.884 484 E CA -0.627 55.509 56.400 -0.440 0.000 0.753 484 E CB 0.998 30.591 29.700 -0.177 0.000 1.213 484 E HN -0.018 nan 8.360 nan 0.000 0.432 485 Y N 0.557 120.744 120.300 -0.188 0.000 2.262 485 Y HA 0.565 5.115 4.550 -0.000 0.000 0.368 485 Y C 1.536 177.429 175.900 -0.011 0.000 1.352 485 Y CA 0.843 58.864 58.100 -0.131 0.000 1.760 485 Y CB 0.464 38.886 38.460 -0.064 0.000 1.627 485 Y HN 0.727 nan 8.280 nan 0.000 0.606 486 G N -0.341 108.631 108.800 0.286 0.000 2.293 486 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.282 486 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.282 486 G C -1.596 173.453 174.900 0.247 0.000 1.299 486 G CA -0.999 44.276 45.100 0.291 0.000 1.018 486 G HN 0.643 nan 8.290 nan 0.000 0.478 487 N N 1.293 120.096 118.700 0.171 0.000 2.399 487 N HA 0.140 4.880 4.740 -0.000 0.000 0.259 487 N C 1.902 177.458 175.510 0.076 0.000 1.160 487 N CA -0.421 52.707 53.050 0.130 0.000 0.946 487 N CB 0.555 39.098 38.487 0.093 0.000 1.156 487 N HN 0.440 nan 8.380 nan 0.000 0.489 488 M N 3.347 122.987 119.600 0.067 0.000 2.267 488 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 488 M C 1.475 177.794 176.300 0.031 0.000 1.063 488 M CA 0.943 56.265 55.300 0.037 0.000 1.090 488 M CB -0.429 32.191 32.600 0.034 0.000 1.392 488 M HN 0.541 nan 8.290 nan 0.000 0.422 489 I N 0.201 120.794 120.570 0.038 0.000 2.277 489 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 489 I C 1.888 178.020 176.117 0.024 0.000 1.094 489 I CA 1.229 62.546 61.300 0.029 0.000 1.393 489 I CB -1.289 36.729 38.000 0.030 0.000 1.078 489 I HN 0.216 nan 8.210 nan 0.000 0.417 490 D N 0.827 121.244 120.400 0.029 0.000 2.117 490 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 490 D C 2.178 178.488 176.300 0.016 0.000 0.987 490 D CA 1.096 55.110 54.000 0.023 0.000 0.829 490 D CB -0.142 40.675 40.800 0.028 0.000 0.961 490 D HN 0.290 nan 8.370 nan 0.000 0.460 491 M N -0.330 119.280 119.600 0.017 0.000 2.700 491 M HA 0.051 4.531 4.480 -0.000 0.000 0.249 491 M C 1.071 177.372 176.300 0.001 0.000 1.082 491 M CA 0.743 56.045 55.300 0.005 0.000 1.077 491 M CB -0.028 32.571 32.600 -0.003 0.000 1.477 491 M HN 0.081 nan 8.290 nan 0.000 0.529 492 G N 1.960 110.764 108.800 0.007 0.000 2.160 492 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G C 0.036 174.940 174.900 0.006 0.000 1.008 492 G CA -0.155 44.949 45.100 0.006 0.000 0.724 492 G HN 0.540 nan 8.290 nan 0.000 0.514 493 I N 0.869 121.443 120.570 0.007 0.000 2.347 493 I HA 0.564 4.734 4.170 -0.000 0.000 0.283 493 I C 0.133 176.258 176.117 0.014 0.000 1.058 493 I CA -0.821 60.484 61.300 0.008 0.000 1.202 493 I CB 0.574 38.577 38.000 0.006 0.000 1.386 493 I HN 0.255 nan 8.210 nan 0.000 0.475 494 L N 3.696 124.927 121.223 0.013 0.000 2.710 494 L HA 0.704 5.044 4.340 -0.000 0.000 0.260 494 L C -1.684 175.195 176.870 0.015 0.000 0.993 494 L CA -0.795 54.054 54.840 0.015 0.000 0.877 494 L CB 1.804 43.873 42.059 0.017 0.000 1.461 494 L HN 0.106 nan 8.230 nan 0.000 0.413 495 D N -0.062 120.348 120.400 0.016 0.000 2.575 495 D HA 0.517 5.157 4.640 -0.000 0.000 0.236 495 D C -2.807 173.503 176.300 0.017 0.000 1.075 495 D CA -1.271 52.738 54.000 0.016 0.000 0.860 495 D CB 2.185 42.994 40.800 0.015 0.000 1.475 495 D HN 0.353 nan 8.370 nan 0.000 0.474 496 P HA -0.012 nan 4.420 nan 0.000 0.267 496 P C 0.892 178.201 177.300 0.016 0.000 1.201 496 P CA 0.167 63.279 63.100 0.019 0.000 0.775 496 P CB 0.603 32.319 31.700 0.026 0.000 0.854 497 T N 1.103 115.665 114.554 0.012 0.000 2.777 497 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 497 T C 1.641 176.344 174.700 0.005 0.000 1.040 497 T CA 1.119 63.224 62.100 0.008 0.000 1.141 497 T CB -0.383 68.489 68.868 0.006 0.000 0.868 497 T HN 0.481 nan 8.240 nan 0.000 0.444 498 K N 0.861 121.266 120.400 0.007 0.000 2.049 498 K HA -0.231 4.089 4.320 -0.000 0.000 0.219 498 K C 2.397 179.000 176.600 0.005 0.000 1.056 498 K CA 2.239 58.529 56.287 0.005 0.000 0.946 498 K CB -0.640 31.870 32.500 0.016 0.000 0.723 498 K HN 0.318 nan 8.250 nan 0.000 0.453 499 V N -0.282 119.642 119.914 0.017 0.000 2.261 499 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 499 V C 1.775 177.877 176.094 0.014 0.000 1.047 499 V CA 2.557 64.870 62.300 0.022 0.000 1.015 499 V CB -1.063 30.776 31.823 0.027 0.000 0.642 499 V HN 0.422 nan 8.190 nan 0.000 0.446 500 T N 0.127 114.687 114.554 0.010 0.000 2.946 500 T HA -0.157 4.193 4.350 -0.000 0.000 0.271 500 T C 1.796 176.494 174.700 -0.003 0.000 1.104 500 T CA 1.988 64.092 62.100 0.007 0.000 1.114 500 T CB -0.388 68.484 68.868 0.007 0.000 0.867 500 T HN 0.695 nan 8.240 nan 0.000 0.513 501 R N 0.867 121.358 120.500 -0.014 0.000 2.046 501 R HA 0.002 4.342 4.340 -0.000 0.000 0.223 501 R C 2.630 178.892 176.300 -0.063 0.000 1.179 501 R CA 1.293 57.371 56.100 -0.037 0.000 0.952 501 R CB -0.503 29.771 30.300 -0.044 0.000 0.843 501 R HN 0.151 nan 8.270 nan 0.000 0.439 502 S N 0.950 116.604 115.700 -0.076 0.000 2.393 502 S HA -0.314 4.156 4.470 -0.000 0.000 0.235 502 S C 2.060 176.635 174.600 -0.041 0.000 1.061 502 S CA 1.843 59.964 58.200 -0.131 0.000 1.129 502 S CB -0.672 62.519 63.200 -0.015 0.000 1.011 502 S HN 0.618 nan 8.310 nan 0.000 0.436 503 A N 0.741 123.585 122.820 0.040 0.000 1.948 503 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 503 A C 2.136 179.747 177.584 0.045 0.000 1.177 503 A CA 1.811 53.892 52.037 0.073 0.000 0.636 503 A CB -0.657 18.373 19.000 0.050 0.000 0.815 503 A HN 0.438 nan 8.150 nan 0.000 0.449 504 L N -0.488 120.738 121.223 0.005 0.000 2.156 504 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 504 L C 2.390 179.253 176.870 -0.012 0.000 1.095 504 L CA 1.999 56.839 54.840 -0.001 0.000 0.770 504 L CB -0.563 41.489 42.059 -0.012 0.000 0.914 504 L HN 0.512 nan 8.230 nan 0.000 0.439 505 Q N -1.682 118.081 119.800 -0.062 0.000 1.984 505 Q HA -0.169 4.171 4.340 -0.000 0.000 0.196 505 Q C 2.188 178.177 176.000 -0.017 0.000 0.975 505 Q CA 1.667 57.412 55.803 -0.096 0.000 0.827 505 Q CB -0.486 28.114 28.738 -0.229 0.000 0.894 505 Q HN 0.414 nan 8.270 nan 0.000 0.438 506 Y N 0.997 121.298 120.300 0.002 0.000 2.193 506 Y HA -0.250 4.300 4.550 -0.000 0.000 0.285 506 Y C 2.432 178.333 175.900 0.001 0.000 1.166 506 Y CA 0.942 59.044 58.100 0.002 0.000 1.181 506 Y CB -0.954 37.508 38.460 0.002 0.000 0.976 506 Y HN 0.188 nan 8.280 nan 0.000 0.520 507 A N -0.087 122.829 122.820 0.160 0.000 1.877 507 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 507 A C 2.542 180.165 177.584 0.066 0.000 1.186 507 A CA 2.025 54.115 52.037 0.089 0.000 0.620 507 A CB -1.261 17.774 19.000 0.058 0.000 0.822 507 A HN 0.395 nan 8.150 nan 0.000 0.443 508 A N -0.602 122.250 122.820 0.054 0.000 1.865 508 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 508 A C 2.458 180.068 177.584 0.044 0.000 1.191 508 A CA 2.375 54.434 52.037 0.036 0.000 0.623 508 A CB -1.252 17.759 19.000 0.018 0.000 0.826 508 A HN 0.682 nan 8.150 nan 0.000 0.444 509 S N -0.596 115.146 115.700 0.068 0.000 2.427 509 S HA -0.225 4.245 4.470 -0.000 0.000 0.231 509 S C 1.900 176.533 174.600 0.055 0.000 1.045 509 S CA 2.410 60.654 58.200 0.074 0.000 1.154 509 S CB -0.961 62.320 63.200 0.135 0.000 1.093 509 S HN 0.415 nan 8.310 nan 0.000 0.422 510 V N 2.860 122.810 119.914 0.059 0.000 2.215 510 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 510 V C 2.940 179.048 176.094 0.025 0.000 1.054 510 V CA 2.481 64.802 62.300 0.034 0.000 1.012 510 V CB -1.706 30.134 31.823 0.028 0.000 0.639 510 V HN 0.753 nan 8.190 nan 0.000 0.448 511 A N 0.174 123.009 122.820 0.025 0.000 1.954 511 A HA -0.272 4.048 4.320 -0.000 0.000 0.222 511 A C 2.342 179.935 177.584 0.014 0.000 1.199 511 A CA 2.651 54.698 52.037 0.017 0.000 0.657 511 A CB -1.499 17.511 19.000 0.017 0.000 0.823 511 A HN 0.667 nan 8.150 nan 0.000 0.463 512 G N -0.122 108.689 108.800 0.017 0.000 2.552 512 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 512 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 512 G C 1.513 176.419 174.900 0.010 0.000 1.240 512 G CA 1.166 46.274 45.100 0.013 0.000 0.796 512 G HN 0.492 nan 8.290 nan 0.000 0.568 513 L N -0.191 121.040 121.223 0.013 0.000 2.054 513 L HA -0.269 4.071 4.340 -0.000 0.000 0.220 513 L C 3.146 180.018 176.870 0.004 0.000 1.081 513 L CA 1.908 56.753 54.840 0.009 0.000 0.780 513 L CB -0.597 41.469 42.059 0.012 0.000 0.893 513 L HN 0.270 nan 8.230 nan 0.000 0.438 514 M N -0.586 119.016 119.600 0.004 0.000 2.159 514 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 514 M C 2.197 178.495 176.300 -0.003 0.000 1.063 514 M CA 1.712 57.011 55.300 -0.002 0.000 1.110 514 M CB -0.314 32.285 32.600 -0.001 0.000 1.374 514 M HN 0.237 nan 8.290 nan 0.000 0.411 515 I N -0.426 120.144 120.570 -0.000 0.000 2.830 515 I HA -0.131 4.039 4.170 -0.000 0.000 0.263 515 I C 1.295 177.411 176.117 -0.002 0.000 1.230 515 I CA 0.933 62.232 61.300 -0.001 0.000 1.480 515 I CB -0.531 37.470 38.000 0.001 0.000 1.095 515 I HN 0.315 nan 8.210 nan 0.000 0.455 516 T N -2.503 112.050 114.554 -0.002 0.000 3.268 516 T HA 0.284 4.634 4.350 -0.000 0.000 0.258 516 T C 0.194 174.892 174.700 -0.004 0.000 0.966 516 T CA -0.404 61.694 62.100 -0.003 0.000 0.952 516 T CB -0.208 68.659 68.868 -0.002 0.000 1.132 516 T HN -0.105 nan 8.240 nan 0.000 0.536 517 T N 1.435 115.986 114.554 -0.005 0.000 2.841 517 T HA 0.461 4.811 4.350 -0.000 0.000 0.283 517 T C 0.251 174.951 174.700 -0.000 0.000 1.000 517 T CA -0.653 61.445 62.100 -0.004 0.000 0.977 517 T CB 2.150 71.011 68.868 -0.011 0.000 0.979 517 T HN 0.094 nan 8.240 nan 0.000 0.446 518 E N 0.332 120.539 120.200 0.012 0.000 2.541 518 E HA 0.190 4.540 4.350 -0.000 0.000 0.219 518 E C -0.040 176.636 176.600 0.127 0.000 0.922 518 E CA 0.092 56.511 56.400 0.033 0.000 1.095 518 E CB 0.937 30.629 29.700 -0.013 0.000 1.112 518 E HN 0.559 nan 8.360 nan 0.000 0.516 519 C N 0.938 120.310 119.300 0.121 0.000 2.686 519 C HA 0.690 5.150 4.460 -0.000 0.000 0.318 519 C C -1.293 173.721 174.990 0.040 0.000 1.160 519 C CA -0.579 58.577 59.018 0.230 0.000 1.396 519 C CB 0.397 28.350 27.740 0.355 0.000 1.924 519 C HN 0.103 nan 8.230 nan 0.000 0.471 520 M N 5.203 124.748 119.600 -0.091 0.000 2.395 520 M HA 0.562 5.042 4.480 -0.000 0.000 0.307 520 M C -1.178 175.065 176.300 -0.095 0.000 1.091 520 M CA -0.638 54.557 55.300 -0.175 0.000 0.919 520 M CB 2.166 34.477 32.600 -0.483 0.000 1.662 520 M HN 0.376 nan 8.290 nan 0.000 0.440 521 V N 1.691 121.627 119.914 0.036 0.000 2.398 521 V HA 0.477 4.597 4.120 -0.000 0.000 0.282 521 V C -0.354 175.829 176.094 0.148 0.000 1.014 521 V CA -0.316 62.044 62.300 0.099 0.000 0.838 521 V CB 1.713 33.577 31.823 0.068 0.000 1.018 521 V HN 0.970 nan 8.190 nan 0.000 0.432 522 T N 2.394 117.080 114.554 0.220 0.000 2.907 522 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 522 T C -0.457 174.259 174.700 0.027 0.000 1.066 522 T CA -0.469 61.706 62.100 0.125 0.000 1.012 522 T CB 1.755 70.704 68.868 0.135 0.000 1.184 522 T HN 0.629 nan 8.240 nan 0.000 0.522 523 D N 0.943 121.338 120.400 -0.010 0.000 2.354 523 D HA 0.294 4.934 4.640 -0.000 0.000 0.238 523 D C -0.260 175.995 176.300 -0.075 0.000 1.250 523 D CA -0.054 53.926 54.000 -0.032 0.000 0.911 523 D CB 0.258 41.040 40.800 -0.030 0.000 1.163 523 D HN 0.183 nan 8.370 nan 0.000 0.456 524 L N 2.212 123.396 121.223 -0.065 0.000 2.350 524 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 524 L C -1.763 175.053 176.870 -0.091 0.000 1.099 524 L CA -1.892 52.898 54.840 -0.084 0.000 0.808 524 L CB 0.802 42.827 42.059 -0.055 0.000 1.149 524 L HN 0.310 nan 8.230 nan 0.000 0.442 525 P HA -0.067 nan 4.420 nan 0.000 0.314 525 P C -0.832 176.426 177.300 -0.069 0.000 1.521 525 P CA 0.775 63.814 63.100 -0.102 0.000 0.754 525 P CB -0.226 31.405 31.700 -0.116 0.000 1.692 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543