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_E 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 0.000 177.583 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.036 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 1.286 124.103 122.820 -0.004 0.000 2.547 3 A HA 0.391 4.711 4.320 -0.000 0.000 0.269 3 A C 0.422 178.002 177.584 -0.008 0.000 1.041 3 A CA 0.671 52.705 52.037 -0.005 0.000 0.855 3 A CB -0.726 18.268 19.000 -0.009 0.000 0.934 3 A HN 0.545 nan 8.150 nan 0.000 0.521 4 K N 1.883 122.283 120.400 0.001 0.000 2.098 4 K HA 0.395 4.715 4.320 -0.000 0.000 0.244 4 K C -0.520 176.079 176.600 -0.001 0.000 1.014 4 K CA -0.611 55.678 56.287 0.004 0.000 0.917 4 K CB 0.882 33.395 32.500 0.022 0.000 1.072 4 K HN 0.732 nan 8.250 nan 0.000 0.477 5 D N 0.248 120.651 120.400 0.005 0.000 2.350 5 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 5 D C -1.463 174.889 176.300 0.087 0.000 1.036 5 D CA -0.700 53.307 54.000 0.011 0.000 0.848 5 D CB 1.471 42.236 40.800 -0.058 0.000 1.307 5 D HN 0.047 nan 8.370 nan 0.000 0.469 6 V N 3.732 123.653 119.914 0.012 0.000 2.686 6 V HA 0.449 4.569 4.120 -0.000 0.000 0.306 6 V C -0.261 175.593 176.094 -0.400 0.000 1.065 6 V CA -0.758 61.460 62.300 -0.137 0.000 0.894 6 V CB 2.050 33.747 31.823 -0.209 0.000 1.004 6 V HN 0.460 nan 8.190 nan 0.000 0.424 7 K N 3.395 123.491 120.400 -0.507 0.000 2.375 7 K HA 0.827 5.147 4.320 -0.000 0.000 0.249 7 K C -1.734 174.503 176.600 -0.605 0.000 0.942 7 K CA -0.503 55.438 56.287 -0.576 0.000 0.806 7 K CB 2.385 34.677 32.500 -0.347 0.000 1.227 7 K HN 0.450 nan 8.250 nan 0.000 0.430 8 F N -0.295 119.608 119.950 -0.078 0.000 2.640 8 F HA 0.582 5.109 4.527 0.000 0.000 0.324 8 F C 0.877 176.641 175.800 -0.061 0.000 1.077 8 F CA -0.438 57.520 58.000 -0.072 0.000 0.965 8 F CB 1.176 40.152 39.000 -0.040 0.000 1.351 8 F HN 0.768 nan 8.300 nan 0.000 0.487 9 G N 1.289 110.189 108.800 0.167 0.000 2.601 9 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.261 9 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.261 9 G C 0.813 175.730 174.900 0.029 0.000 1.289 9 G CA 0.438 45.581 45.100 0.072 0.000 0.920 9 G HN 0.842 nan 8.290 nan 0.000 0.571 10 N N 0.280 118.992 118.700 0.020 0.000 2.100 10 N HA -0.282 4.458 4.740 -0.000 0.000 0.199 10 N C 1.734 177.240 175.510 -0.007 0.000 1.017 10 N CA 2.312 55.366 53.050 0.007 0.000 0.890 10 N CB -0.400 38.094 38.487 0.011 0.000 1.080 10 N HN 0.699 nan 8.380 nan 0.000 0.525 11 D N 0.725 121.123 120.400 -0.003 0.000 2.303 11 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 11 D C 1.828 178.080 176.300 -0.080 0.000 1.011 11 D CA 1.894 55.883 54.000 -0.020 0.000 0.860 11 D CB -0.781 40.011 40.800 -0.014 0.000 0.961 11 D HN 0.440 nan 8.370 nan 0.000 0.453 12 A N -0.028 122.713 122.820 -0.131 0.000 2.042 12 A HA -0.261 4.059 4.320 -0.000 0.000 0.222 12 A C 2.117 179.599 177.584 -0.169 0.000 1.167 12 A CA 1.929 53.818 52.037 -0.247 0.000 0.649 12 A CB -0.377 18.518 19.000 -0.174 0.000 0.809 12 A HN 0.187 nan 8.150 nan 0.000 0.457 13 R N -1.090 119.362 120.500 -0.081 0.000 2.062 13 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 13 R C 2.227 178.510 176.300 -0.029 0.000 1.161 13 R CA 1.102 57.173 56.100 -0.048 0.000 0.994 13 R CB -0.766 29.519 30.300 -0.025 0.000 0.888 13 R HN 0.506 nan 8.270 nan 0.000 0.442 14 V N 0.904 120.809 119.914 -0.016 0.000 2.428 14 V HA -0.293 3.827 4.120 -0.000 0.000 0.255 14 V C 1.855 177.955 176.094 0.009 0.000 1.080 14 V CA 1.703 64.003 62.300 0.000 0.000 1.083 14 V CB -0.522 31.305 31.823 0.007 0.000 0.665 14 V HN 0.150 nan 8.190 nan 0.000 0.461 15 K N -0.080 120.325 120.400 0.008 0.000 2.025 15 K HA 0.002 4.322 4.320 -0.000 0.000 0.207 15 K C 2.260 178.881 176.600 0.036 0.000 1.049 15 K CA 2.101 58.417 56.287 0.049 0.000 0.933 15 K CB -0.544 32.013 32.500 0.095 0.000 0.714 15 K HN 0.549 nan 8.250 nan 0.000 0.438 16 M N 0.497 120.096 119.600 -0.001 0.000 2.080 16 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 16 M C 2.214 178.519 176.300 0.008 0.000 1.068 16 M CA 1.215 56.516 55.300 0.002 0.000 1.109 16 M CB -0.423 32.164 32.600 -0.021 0.000 1.342 16 M HN 0.063 nan 8.290 nan 0.000 0.405 17 L N 0.781 122.006 121.223 0.004 0.000 1.932 17 L HA -0.221 4.119 4.340 -0.000 0.000 0.217 17 L C 2.433 179.310 176.870 0.011 0.000 1.077 17 L CA 2.103 56.946 54.840 0.006 0.000 0.765 17 L CB -1.013 41.048 42.059 0.004 0.000 0.888 17 L HN 0.160 nan 8.230 nan 0.000 0.433 18 R N 0.307 120.816 120.500 0.014 0.000 2.174 18 R HA -0.141 4.199 4.340 -0.000 0.000 0.253 18 R C 2.088 178.399 176.300 0.019 0.000 1.165 18 R CA 1.829 57.939 56.100 0.016 0.000 0.984 18 R CB -1.534 28.779 30.300 0.021 0.000 0.873 18 R HN 0.630 nan 8.270 nan 0.000 0.456 19 G N -0.652 108.163 108.800 0.025 0.000 2.403 19 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 19 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 19 G C 1.408 176.318 174.900 0.017 0.000 1.154 19 G CA 0.937 46.053 45.100 0.026 0.000 0.784 19 G HN 0.367 nan 8.290 nan 0.000 0.538 20 V N -1.126 118.796 119.914 0.013 0.000 2.649 20 V HA 0.006 4.126 4.120 -0.000 0.000 0.248 20 V C 2.189 178.286 176.094 0.006 0.000 1.054 20 V CA 1.588 63.893 62.300 0.008 0.000 1.073 20 V CB -0.639 31.189 31.823 0.007 0.000 0.699 20 V HN 0.126 nan 8.190 nan 0.000 0.463 21 N N 1.084 119.787 118.700 0.006 0.000 2.247 21 N HA -0.141 4.599 4.740 -0.000 0.000 0.189 21 N C 1.639 177.151 175.510 0.003 0.000 1.009 21 N CA 1.726 54.778 53.050 0.004 0.000 0.872 21 N CB -0.465 38.025 38.487 0.005 0.000 0.980 21 N HN 0.531 nan 8.380 nan 0.000 0.436 22 V N 0.669 120.585 119.914 0.004 0.000 2.256 22 V HA -0.130 3.990 4.120 -0.000 0.000 0.240 22 V C 2.323 178.417 176.094 0.000 0.000 1.036 22 V CA 0.836 63.137 62.300 0.002 0.000 1.008 22 V CB -0.637 31.187 31.823 0.002 0.000 0.648 22 V HN 0.177 nan 8.190 nan 0.000 0.453 23 L N 0.780 122.004 121.223 0.001 0.000 2.089 23 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 23 L C 2.235 179.104 176.870 -0.002 0.000 1.079 23 L CA 2.546 57.385 54.840 -0.001 0.000 0.758 23 L CB -0.989 41.070 42.059 -0.001 0.000 0.891 23 L HN 0.284 nan 8.230 nan 0.000 0.433 24 A N -0.801 122.019 122.820 -0.000 0.000 1.824 24 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 24 A C 1.947 179.530 177.584 -0.002 0.000 1.244 24 A CA 1.419 53.455 52.037 -0.001 0.000 0.604 24 A CB -1.188 17.812 19.000 0.001 0.000 0.900 24 A HN 0.488 nan 8.150 nan 0.000 0.455 25 D N 0.222 120.621 120.400 -0.002 0.000 2.276 25 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 25 D C 1.553 177.851 176.300 -0.004 0.000 1.004 25 D CA 1.626 55.624 54.000 -0.003 0.000 0.898 25 D CB -0.287 40.511 40.800 -0.003 0.000 0.906 25 D HN 0.442 nan 8.370 nan 0.000 0.457 26 A N -0.461 122.357 122.820 -0.004 0.000 2.337 26 A HA 0.289 4.609 4.320 -0.000 0.000 0.227 26 A C 1.646 179.227 177.584 -0.005 0.000 1.259 26 A CA -0.055 51.979 52.037 -0.005 0.000 0.870 26 A CB 0.572 19.569 19.000 -0.005 0.000 0.927 26 A HN 0.131 nan 8.150 nan 0.000 0.497 27 V N -0.818 119.093 119.914 -0.005 0.000 3.245 27 V HA -0.024 4.096 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 0.870 63.167 62.300 -0.005 0.000 1.154 27 V CB 0.051 31.871 31.823 -0.005 0.000 0.971 27 V HN 0.667 nan 8.190 nan 0.000 0.443 28 K N 2.254 122.651 120.400 -0.005 0.000 2.665 28 K HA 0.020 4.340 4.320 -0.000 0.000 0.196 28 K C 1.174 177.770 176.600 -0.007 0.000 1.021 28 K CA 1.384 57.668 56.287 -0.006 0.000 1.066 28 K CB -0.097 32.399 32.500 -0.006 0.000 0.849 28 K HN 0.516 nan 8.250 nan 0.000 0.500 29 V N -2.911 116.999 119.914 -0.007 0.000 2.908 29 V HA -0.028 4.092 4.120 -0.000 0.000 0.240 29 V C 2.071 178.162 176.094 -0.006 0.000 1.117 29 V CA 0.735 63.031 62.300 -0.007 0.000 1.133 29 V CB -0.233 31.587 31.823 -0.006 0.000 0.857 29 V HN 0.427 nan 8.190 nan 0.000 0.478 30 T N -0.409 114.141 114.554 -0.005 0.000 3.400 30 T HA 0.127 4.477 4.350 -0.000 0.000 0.254 30 T C 0.393 175.090 174.700 -0.004 0.000 1.153 30 T CA 0.133 62.230 62.100 -0.005 0.000 1.012 30 T CB -1.008 67.857 68.868 -0.005 0.000 0.994 30 T HN 0.281 nan 8.240 nan 0.000 0.555 31 L N 2.164 123.383 121.223 -0.005 0.000 2.313 31 L HA 0.600 4.940 4.340 -0.000 0.000 0.282 31 L C 0.968 177.835 176.870 -0.004 0.000 1.092 31 L CA 1.448 56.285 54.840 -0.005 0.000 0.831 31 L CB -0.233 41.821 42.059 -0.007 0.000 1.159 31 L HN 0.639 nan 8.230 nan 0.000 0.442 32 G N 5.083 113.882 108.800 -0.001 0.000 2.527 32 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.227 32 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.227 32 G C -1.976 172.926 174.900 0.003 0.000 1.291 32 G CA -0.061 45.041 45.100 0.002 0.000 0.904 32 G HN 0.596 nan 8.290 nan 0.000 0.577 33 P HA 0.217 nan 4.420 nan 0.000 0.221 33 P C 0.908 178.211 177.300 0.004 0.000 1.152 33 P CA 0.824 63.927 63.100 0.004 0.000 0.851 33 P CB 0.214 31.917 31.700 0.006 0.000 0.833 34 K N 1.143 121.547 120.400 0.007 0.000 2.596 34 K HA 0.274 4.594 4.320 -0.000 0.000 0.211 34 K C 0.988 177.589 176.600 0.001 0.000 1.046 34 K CA -0.125 56.165 56.287 0.005 0.000 1.202 34 K CB -0.446 32.060 32.500 0.010 0.000 0.925 34 K HN 0.119 nan 8.250 nan 0.000 0.486 35 G N 1.334 110.134 108.800 -0.000 0.000 2.483 35 G HA2 0.172 4.132 3.960 -0.000 0.000 0.248 35 G HA3 0.172 4.132 3.960 -0.000 0.000 0.248 35 G C 0.209 175.107 174.900 -0.002 0.000 1.248 35 G CA -0.481 44.618 45.100 -0.002 0.000 0.838 35 G HN 0.071 nan 8.290 nan 0.000 0.566 36 R N 0.836 121.334 120.500 -0.003 0.000 2.531 36 R HA 0.282 4.622 4.340 -0.000 0.000 0.260 36 R C -0.281 176.017 176.300 -0.003 0.000 1.144 36 R CA -0.869 55.229 56.100 -0.003 0.000 1.171 36 R CB 0.035 30.333 30.300 -0.004 0.000 1.199 36 R HN 0.576 nan 8.270 nan 0.000 0.594 37 N N -1.085 117.613 118.700 -0.003 0.000 2.443 37 N HA 0.389 5.129 4.740 -0.000 0.000 0.295 37 N C -1.149 174.359 175.510 -0.003 0.000 1.076 37 N CA -0.530 52.519 53.050 -0.003 0.000 0.919 37 N CB 1.796 40.282 38.487 -0.002 0.000 1.176 37 N HN 0.090 nan 8.380 nan 0.000 0.487 38 V N 1.895 121.807 119.914 -0.004 0.000 2.487 38 V HA 0.375 4.495 4.120 -0.000 0.000 0.298 38 V C -0.533 175.558 176.094 -0.005 0.000 1.028 38 V CA -0.829 61.468 62.300 -0.005 0.000 0.860 38 V CB 1.755 33.574 31.823 -0.006 0.000 0.991 38 V HN 0.377 nan 8.190 nan 0.000 0.427 39 V N 6.276 126.187 119.914 -0.005 0.000 2.383 39 V HA 0.426 4.546 4.120 -0.000 0.000 0.275 39 V C -0.055 176.034 176.094 -0.007 0.000 1.036 39 V CA -0.457 61.840 62.300 -0.005 0.000 0.889 39 V CB 1.175 32.996 31.823 -0.004 0.000 0.985 39 V HN 0.629 nan 8.190 nan 0.000 0.459 40 L N 3.601 124.819 121.223 -0.008 0.000 2.321 40 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 40 L C 0.202 177.064 176.870 -0.013 0.000 1.050 40 L CA -0.483 54.351 54.840 -0.011 0.000 0.893 40 L CB 0.729 42.782 42.059 -0.011 0.000 1.272 40 L HN 0.625 nan 8.230 nan 0.000 0.435 41 D N 3.113 123.503 120.400 -0.016 0.000 2.629 41 D HA -0.044 4.596 4.640 -0.000 0.000 0.228 41 D C -0.006 176.277 176.300 -0.029 0.000 1.127 41 D CA 1.133 55.121 54.000 -0.020 0.000 0.855 41 D CB 0.879 41.665 40.800 -0.024 0.000 1.180 41 D HN 0.340 nan 8.370 nan 0.000 0.484 42 K N 0.991 121.374 120.400 -0.028 0.000 2.238 42 K HA 0.363 4.683 4.320 -0.000 0.000 0.239 42 K C 1.021 177.579 176.600 -0.071 0.000 0.987 42 K CA -0.598 55.665 56.287 -0.040 0.000 0.857 42 K CB 1.246 33.739 32.500 -0.012 0.000 1.154 42 K HN 0.548 nan 8.250 nan 0.000 0.439 43 S N 0.855 116.471 115.700 -0.139 0.000 2.309 43 S HA 0.045 4.515 4.470 -0.000 0.000 0.206 43 S C 0.474 174.957 174.600 -0.193 0.000 1.028 43 S CA 0.485 58.515 58.200 -0.284 0.000 0.972 43 S CB -0.349 62.514 63.200 -0.562 0.000 0.961 43 S HN 0.367 nan 8.310 nan 0.000 0.449 44 F N 3.148 123.097 119.950 -0.002 0.000 2.404 44 F HA 0.703 5.230 4.527 0.000 0.000 0.358 44 F C 1.243 177.042 175.800 -0.002 0.000 1.120 44 F CA 0.044 58.043 58.000 -0.002 0.000 1.144 44 F CB 0.562 39.560 39.000 -0.002 0.000 1.133 44 F HN 0.818 nan 8.300 nan 0.000 0.495 45 G N 1.338 110.250 108.800 0.186 0.000 2.352 45 G HA2 0.380 4.340 3.960 -0.000 0.000 0.324 45 G HA3 0.380 4.340 3.960 -0.000 0.000 0.324 45 G C -1.474 173.464 174.900 0.062 0.000 1.249 45 G CA -0.581 44.580 45.100 0.101 0.000 1.053 45 G HN 0.902 nan 8.290 nan 0.000 0.492 46 A N 0.483 123.329 122.820 0.042 0.000 2.303 46 A HA 0.875 5.195 4.320 -0.000 0.000 0.317 46 A C -1.660 175.935 177.584 0.019 0.000 1.149 46 A CA -0.775 51.278 52.037 0.027 0.000 0.822 46 A CB 0.190 19.202 19.000 0.021 0.000 1.131 46 A HN 0.672 nan 8.150 nan 0.000 0.493 47 P HA 0.161 nan 4.420 nan 0.000 0.270 47 P C -0.280 177.023 177.300 0.005 0.000 1.221 47 P CA 0.359 63.462 63.100 0.004 0.000 0.788 47 P CB 0.346 32.047 31.700 0.002 0.000 0.904 48 T N 1.791 116.345 114.554 0.001 0.000 2.797 48 T HA 0.552 4.902 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 -0.342 61.759 62.100 0.002 0.000 0.979 48 T CB 0.246 69.114 68.868 0.001 0.000 0.943 48 T HN 0.155 nan 8.240 nan 0.000 0.444 49 I N 2.635 123.206 120.570 0.001 0.000 2.362 49 I HA 0.587 4.757 4.170 -0.000 0.000 0.289 49 I C 0.402 176.518 176.117 -0.001 0.000 0.994 49 I CA -0.498 60.801 61.300 -0.000 0.000 1.158 49 I CB 1.777 39.778 38.000 0.001 0.000 1.315 49 I HN 0.517 nan 8.210 nan 0.000 0.451 50 T N 4.144 118.697 114.554 -0.002 0.000 2.762 50 T HA 0.422 4.772 4.350 -0.000 0.000 0.301 50 T C -0.304 174.394 174.700 -0.003 0.000 1.299 50 T CA -0.549 61.549 62.100 -0.002 0.000 1.005 50 T CB 1.826 70.692 68.868 -0.003 0.000 1.377 50 T HN 0.684 nan 8.240 nan 0.000 0.504 51 K N 0.692 121.090 120.400 -0.004 0.000 2.533 51 K HA 0.206 4.526 4.320 -0.000 0.000 0.202 51 K C -0.877 175.720 176.600 -0.005 0.000 1.096 51 K CA -0.252 56.033 56.287 -0.004 0.000 1.056 51 K CB 0.635 33.133 32.500 -0.003 0.000 0.890 51 K HN 0.367 nan 8.250 nan 0.000 0.552 52 D N 0.970 121.366 120.400 -0.006 0.000 2.483 52 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 52 D C 1.329 177.623 176.300 -0.008 0.000 1.173 52 D CA -0.053 53.942 54.000 -0.008 0.000 0.964 52 D CB 0.628 41.423 40.800 -0.008 0.000 1.046 52 D HN 0.283 nan 8.370 nan 0.000 0.517 53 G N 2.051 110.846 108.800 -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 1.451 176.345 174.900 -0.010 0.000 1.094 53 G CA 0.953 46.049 45.100 -0.008 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.448 120.355 119.914 -0.012 0.000 2.283 54 V HA -0.123 3.997 4.120 -0.000 0.000 0.243 54 V C 2.982 179.068 176.094 -0.013 0.000 1.039 54 V CA 2.109 64.400 62.300 -0.014 0.000 1.016 54 V CB -0.546 31.266 31.823 -0.018 0.000 0.650 54 V HN 0.366 nan 8.190 nan 0.000 0.449 55 S N -0.099 115.594 115.700 -0.012 0.000 2.399 55 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 55 S C 1.967 176.561 174.600 -0.011 0.000 1.022 55 S CA 1.276 59.470 58.200 -0.010 0.000 0.983 55 S CB -0.128 63.067 63.200 -0.008 0.000 0.803 55 S HN 0.357 nan 8.310 nan 0.000 0.480 56 V N 1.569 121.477 119.914 -0.010 0.000 2.515 56 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 56 V C 2.434 178.522 176.094 -0.010 0.000 1.058 56 V CA 1.460 63.754 62.300 -0.010 0.000 1.064 56 V CB -1.013 30.805 31.823 -0.008 0.000 0.675 56 V HN 0.519 nan 8.190 nan 0.000 0.461 57 A N -0.186 122.627 122.820 -0.011 0.000 1.832 57 A HA -0.190 4.130 4.320 -0.000 0.000 0.214 57 A C 2.332 179.908 177.584 -0.013 0.000 1.200 57 A CA 1.591 53.621 52.037 -0.012 0.000 0.610 57 A CB -0.653 18.338 19.000 -0.014 0.000 0.842 57 A HN 0.377 nan 8.150 nan 0.000 0.444 58 R N -0.260 120.231 120.500 -0.014 0.000 2.196 58 R HA -0.190 4.150 4.340 -0.000 0.000 0.259 58 R C 1.012 177.303 176.300 -0.015 0.000 1.154 58 R CA 1.725 57.816 56.100 -0.015 0.000 0.976 58 R CB -0.333 29.958 30.300 -0.015 0.000 0.888 58 R HN 0.513 nan 8.270 nan 0.000 0.453 59 E N 0.071 120.262 120.200 -0.015 0.000 2.416 59 E HA 0.055 4.405 4.350 -0.000 0.000 0.189 59 E C 0.151 176.742 176.600 -0.015 0.000 1.091 59 E CA 0.193 56.583 56.400 -0.016 0.000 0.889 59 E CB 0.153 29.843 29.700 -0.016 0.000 1.015 59 E HN 0.222 nan 8.360 nan 0.000 0.479 60 I N 1.056 121.618 120.570 -0.013 0.000 2.437 60 I HA 0.304 4.474 4.170 -0.000 0.000 0.298 60 I C 0.152 176.262 176.117 -0.011 0.000 0.984 60 I CA -0.343 60.950 61.300 -0.011 0.000 1.214 60 I CB 1.444 39.439 38.000 -0.009 0.000 1.365 60 I HN -0.021 nan 8.210 nan 0.000 0.469 61 E N 6.464 126.659 120.200 -0.010 0.000 3.397 61 E HA 0.261 4.611 4.350 -0.000 0.000 0.380 61 E C -1.900 174.694 176.600 -0.010 0.000 0.989 61 E CA -0.412 55.983 56.400 -0.009 0.000 0.783 61 E CB 1.075 30.768 29.700 -0.013 0.000 1.334 61 E HN 0.440 nan 8.360 nan 0.000 0.457 62 L N 2.723 123.943 121.223 -0.005 0.000 2.472 62 L HA 0.414 4.754 4.340 -0.000 0.000 0.256 62 L C 1.663 178.524 176.870 -0.015 0.000 1.111 62 L CA -0.472 54.363 54.840 -0.007 0.000 0.800 62 L CB 0.638 42.698 42.059 0.001 0.000 1.286 62 L HN 0.733 nan 8.230 nan 0.000 0.479 63 E N 0.299 120.488 120.200 -0.019 0.000 2.011 63 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 63 E C 0.452 177.025 176.600 -0.044 0.000 0.980 63 E CA 0.147 56.529 56.400 -0.031 0.000 0.814 63 E CB 0.131 29.814 29.700 -0.030 0.000 0.775 63 E HN 0.691 nan 8.360 nan 0.000 0.454 64 D N 1.334 121.709 120.400 -0.041 0.000 2.433 64 D HA -0.108 4.532 4.640 -0.000 0.000 0.274 64 D C 0.653 176.910 176.300 -0.071 0.000 1.344 64 D CA 0.168 54.130 54.000 -0.064 0.000 0.989 64 D CB 0.560 41.346 40.800 -0.025 0.000 1.116 64 D HN 0.119 nan 8.370 nan 0.000 0.533 65 K N 3.375 123.685 120.400 -0.150 0.000 2.184 65 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 65 K C 1.682 178.281 176.600 -0.001 0.000 1.048 65 K CA 1.348 57.550 56.287 -0.143 0.000 0.931 65 K CB -0.354 31.978 32.500 -0.280 0.000 0.718 65 K HN 0.464 nan 8.250 nan 0.000 0.465 66 F N 1.367 121.304 119.950 -0.021 0.000 2.074 66 F HA -0.017 4.510 4.527 -0.000 0.000 0.290 66 F C 2.481 178.272 175.800 -0.015 0.000 1.118 66 F CA 0.570 58.559 58.000 -0.020 0.000 1.199 66 F CB -1.135 37.851 39.000 -0.025 0.000 1.012 66 F HN 0.083 nan 8.300 nan 0.000 0.472 67 E N 0.285 120.604 120.200 0.198 0.000 2.086 67 E HA -0.359 3.990 4.350 -0.000 0.000 0.205 67 E C 1.898 178.542 176.600 0.074 0.000 1.027 67 E CA 1.907 58.368 56.400 0.101 0.000 0.830 67 E CB -0.683 29.054 29.700 0.062 0.000 0.751 67 E HN 0.401 nan 8.360 nan 0.000 0.456 68 N N 0.517 119.255 118.700 0.062 0.000 2.061 68 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 68 N C 1.911 177.451 175.510 0.049 0.000 1.030 68 N CA 1.607 54.681 53.050 0.040 0.000 0.856 68 N CB -0.067 38.433 38.487 0.022 0.000 1.023 68 N HN 0.091 nan 8.380 nan 0.000 0.424 69 M N -0.425 119.226 119.600 0.084 0.000 2.082 69 M HA -0.144 4.336 4.480 -0.000 0.000 0.258 69 M C 2.188 178.516 176.300 0.047 0.000 1.069 69 M CA 1.905 57.252 55.300 0.078 0.000 1.102 69 M CB -0.833 31.846 32.600 0.133 0.000 1.336 69 M HN 0.425 nan 8.290 nan 0.000 0.404 70 G N -0.219 108.608 108.800 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 1.044 46.158 45.100 0.022 0.000 0.798 70 G HN 0.563 nan 8.290 nan 0.000 0.557 71 A N -0.593 122.238 122.820 0.019 0.000 2.093 71 A HA -0.133 4.187 4.320 -0.000 0.000 0.222 71 A C 2.271 179.859 177.584 0.006 0.000 1.162 71 A CA 2.037 54.080 52.037 0.011 0.000 0.655 71 A CB -0.274 18.733 19.000 0.011 0.000 0.805 71 A HN 0.390 nan 8.150 nan 0.000 0.461 72 Q N -1.450 118.356 119.800 0.010 0.000 2.424 72 Q HA 0.139 4.479 4.340 -0.000 0.000 0.204 72 Q C 1.877 177.876 176.000 -0.002 0.000 0.933 72 Q CA 0.627 56.432 55.803 0.004 0.000 0.929 72 Q CB 0.019 28.763 28.738 0.009 0.000 1.037 72 Q HN 0.832 nan 8.270 nan 0.000 0.511 73 M N -0.852 118.748 119.600 0.000 0.000 2.224 73 M HA -0.077 4.403 4.480 -0.000 0.000 0.253 73 M C 2.215 178.507 176.300 -0.014 0.000 1.115 73 M CA 0.867 56.164 55.300 -0.006 0.000 1.168 73 M CB -0.699 31.900 32.600 -0.000 0.000 1.288 73 M HN 0.036 nan 8.290 nan 0.000 0.446 74 V N 1.123 121.033 119.914 -0.007 0.000 2.370 74 V HA -0.332 3.788 4.120 -0.000 0.000 0.252 74 V C 2.186 178.269 176.094 -0.018 0.000 1.068 74 V CA 2.509 64.804 62.300 -0.008 0.000 1.061 74 V CB -0.698 31.125 31.823 0.001 0.000 0.656 74 V HN 0.551 nan 8.190 nan 0.000 0.455 75 K N -0.681 119.708 120.400 -0.017 0.000 2.057 75 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 75 K C 2.320 178.897 176.600 -0.038 0.000 1.049 75 K CA 1.836 58.110 56.287 -0.022 0.000 0.931 75 K CB -0.289 32.202 32.500 -0.016 0.000 0.714 75 K HN 0.573 nan 8.250 nan 0.000 0.440 76 E N 0.405 120.580 120.200 -0.041 0.000 2.208 76 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 76 E C 1.846 178.386 176.600 -0.100 0.000 0.988 76 E CA 0.551 56.916 56.400 -0.058 0.000 0.828 76 E CB 0.189 29.862 29.700 -0.044 0.000 0.763 76 E HN 0.187 nan 8.360 nan 0.000 0.478 77 V N 0.438 120.290 119.914 -0.104 0.000 2.379 77 V HA -0.080 4.040 4.120 -0.000 0.000 0.243 77 V C 2.273 178.224 176.094 -0.238 0.000 1.035 77 V CA 1.567 63.755 62.300 -0.186 0.000 1.035 77 V CB -0.235 31.522 31.823 -0.111 0.000 0.673 77 V HN 0.278 nan 8.190 nan 0.000 0.457 78 A N 0.579 123.333 122.820 -0.110 0.000 1.917 78 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 78 A C 2.525 180.053 177.584 -0.095 0.000 1.182 78 A CA 2.735 54.733 52.037 -0.065 0.000 0.633 78 A CB -1.200 17.787 19.000 -0.022 0.000 0.819 78 A HN 0.911 nan 8.150 nan 0.000 0.448 79 S N -0.191 115.449 115.700 -0.100 0.000 2.461 79 S HA -0.240 4.230 4.470 -0.000 0.000 0.246 79 S C 1.687 176.214 174.600 -0.122 0.000 1.007 79 S CA 1.768 59.916 58.200 -0.088 0.000 0.976 79 S CB -0.433 62.722 63.200 -0.075 0.000 0.763 79 S HN 0.660 nan 8.310 nan 0.000 0.508 80 K N 1.075 121.327 120.400 -0.247 0.000 2.167 80 K HA 0.223 4.543 4.320 -0.000 0.000 0.203 80 K C 2.608 179.140 176.600 -0.113 0.000 1.052 80 K CA 0.853 56.942 56.287 -0.329 0.000 0.956 80 K CB -0.473 31.516 32.500 -0.852 0.000 0.735 80 K HN 0.474 nan 8.250 nan 0.000 0.451 81 A N 1.923 124.736 122.820 -0.010 0.000 1.883 81 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 81 A C 1.928 179.575 177.584 0.104 0.000 1.186 81 A CA 2.118 54.287 52.037 0.220 0.000 0.624 81 A CB -0.820 18.301 19.000 0.202 0.000 0.822 81 A HN 0.303 nan 8.150 nan 0.000 0.444 82 N N 0.009 118.729 118.700 0.033 0.000 2.104 82 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 82 N C 1.230 176.741 175.510 0.003 0.000 1.024 82 N CA 1.688 54.739 53.050 0.002 0.000 0.853 82 N CB -0.216 38.256 38.487 -0.024 0.000 1.008 82 N HN 0.431 nan 8.380 nan 0.000 0.424 83 D N -0.538 119.866 120.400 0.008 0.000 2.178 83 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 83 D C 1.538 177.870 176.300 0.052 0.000 0.980 83 D CA 1.163 55.172 54.000 0.015 0.000 0.842 83 D CB -0.143 40.654 40.800 -0.004 0.000 0.948 83 D HN 0.436 nan 8.370 nan 0.000 0.472 84 A N 0.863 123.735 122.820 0.087 0.000 1.884 84 A HA 0.326 4.646 4.320 -0.000 0.000 0.212 84 A C 2.130 179.768 177.584 0.090 0.000 1.265 84 A CA 1.306 53.403 52.037 0.100 0.000 0.626 84 A CB -0.723 18.363 19.000 0.144 0.000 0.943 84 A HN 0.197 nan 8.150 nan 0.000 0.466 85 A N -1.681 121.189 122.820 0.084 0.000 1.833 85 A HA 0.403 4.723 4.320 -0.000 0.000 0.215 85 A C 1.826 179.455 177.584 0.075 0.000 1.275 85 A CA 2.179 54.260 52.037 0.073 0.000 0.602 85 A CB -0.866 18.167 19.000 0.056 0.000 0.929 85 A HN 1.653 nan 8.150 nan 0.000 0.462 86 G N -2.287 106.524 108.800 0.019 0.000 4.362 86 G HA2 0.320 4.280 3.960 -0.000 0.000 0.220 86 G HA3 0.320 4.280 3.960 -0.000 0.000 0.220 86 G C -0.375 174.488 174.900 -0.062 0.000 0.795 86 G CA 0.747 45.807 45.100 -0.067 0.000 0.920 86 G HN 0.781 nan 8.290 nan 0.000 0.715 87 D N -2.801 117.590 120.400 -0.015 0.000 2.970 87 D HA 0.519 5.159 4.640 -0.000 0.000 0.344 87 D C 1.210 177.518 176.300 0.014 0.000 1.365 87 D CA 1.104 55.099 54.000 -0.009 0.000 0.910 87 D CB 0.272 41.068 40.800 -0.005 0.000 1.445 87 D HN 1.189 nan 8.370 nan 0.000 0.532 88 G N -1.037 107.771 108.800 0.015 0.000 2.308 88 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.221 88 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.221 88 G C 1.389 176.306 174.900 0.029 0.000 1.032 88 G CA 1.183 46.299 45.100 0.028 0.000 0.623 88 G HN 1.252 nan 8.290 nan 0.000 0.506 89 T N -0.671 113.896 114.554 0.021 0.000 2.649 89 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 89 T C 2.224 176.929 174.700 0.008 0.000 1.036 89 T CA 3.183 65.290 62.100 0.012 0.000 1.157 89 T CB -1.201 67.663 68.868 -0.006 0.000 0.861 89 T HN 0.668 nan 8.240 nan 0.000 0.445 90 T N 1.427 115.984 114.554 0.004 0.000 2.867 90 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 90 T C 2.220 176.924 174.700 0.007 0.000 1.057 90 T CA 1.762 63.864 62.100 0.002 0.000 1.136 90 T CB -0.794 68.074 68.868 -0.000 0.000 0.874 90 T HN 0.650 nan 8.240 nan 0.000 0.466 91 T N 2.040 116.601 114.554 0.012 0.000 2.732 91 T HA 0.106 4.456 4.350 -0.000 0.000 0.261 91 T C 2.505 177.218 174.700 0.022 0.000 1.040 91 T CA 0.900 63.009 62.100 0.015 0.000 1.145 91 T CB -0.676 68.203 68.868 0.017 0.000 0.866 91 T HN 0.403 nan 8.240 nan 0.000 0.427 92 A N 2.044 124.884 122.820 0.034 0.000 1.869 92 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 92 A C 2.566 180.168 177.584 0.031 0.000 1.203 92 A CA 2.565 54.631 52.037 0.048 0.000 0.638 92 A CB -1.672 17.369 19.000 0.068 0.000 0.831 92 A HN 0.477 nan 8.150 nan 0.000 0.450 93 T N -0.768 113.798 114.554 0.020 0.000 2.685 93 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 93 T C 1.821 176.527 174.700 0.010 0.000 1.034 93 T CA 1.828 63.934 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 0.407 nan 8.240 nan 0.000 0.449 94 V N 0.473 120.393 119.914 0.009 0.000 2.667 94 V HA 0.033 4.153 4.120 -0.000 0.000 0.252 94 V C 2.039 178.137 176.094 0.007 0.000 1.065 94 V CA 1.202 63.505 62.300 0.005 0.000 1.083 94 V CB -0.477 31.347 31.823 0.002 0.000 0.692 94 V HN 0.477 nan 8.190 nan 0.000 0.468 95 L N 0.048 121.279 121.223 0.012 0.000 2.007 95 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 95 L C 2.880 179.759 176.870 0.015 0.000 1.073 95 L CA 1.535 56.384 54.840 0.014 0.000 0.744 95 L CB -0.930 41.142 42.059 0.021 0.000 0.898 95 L HN 0.392 nan 8.230 nan 0.000 0.435 96 A N -0.489 122.343 122.820 0.020 0.000 1.869 96 A HA -0.356 3.964 4.320 -0.000 0.000 0.218 96 A C 2.220 179.811 177.584 0.012 0.000 1.203 96 A CA 2.269 54.318 52.037 0.020 0.000 0.638 96 A CB -0.942 18.071 19.000 0.022 0.000 0.831 96 A HN 0.519 nan 8.150 nan 0.000 0.450 97 Q N -0.717 119.088 119.800 0.009 0.000 2.118 97 Q HA -0.294 4.046 4.340 -0.000 0.000 0.211 97 Q C 2.294 178.297 176.000 0.005 0.000 0.998 97 Q CA 2.395 58.202 55.803 0.006 0.000 0.872 97 Q CB -0.420 28.320 28.738 0.004 0.000 0.925 97 Q HN 0.651 nan 8.270 nan 0.000 0.414 98 A N 0.598 123.421 122.820 0.005 0.000 1.883 98 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 98 A C 2.003 179.589 177.584 0.004 0.000 1.186 98 A CA 1.726 53.765 52.037 0.003 0.000 0.624 98 A CB -0.725 18.277 19.000 0.003 0.000 0.822 98 A HN 0.480 nan 8.150 nan 0.000 0.444 99 I N -0.311 120.263 120.570 0.006 0.000 2.110 99 I HA -0.243 3.927 4.170 -0.000 0.000 0.236 99 I C 2.334 178.454 176.117 0.005 0.000 1.068 99 I CA 1.471 62.775 61.300 0.006 0.000 1.333 99 I CB -0.566 37.440 38.000 0.010 0.000 1.054 99 I HN 0.266 nan 8.210 nan 0.000 0.402 100 I N 0.869 121.443 120.570 0.006 0.000 2.194 100 I HA -0.316 3.854 4.170 -0.000 0.000 0.246 100 I C 2.587 178.706 176.117 0.003 0.000 1.093 100 I CA 1.857 63.160 61.300 0.005 0.000 1.355 100 I CB -0.941 37.062 38.000 0.005 0.000 1.046 100 I HN 0.332 nan 8.210 nan 0.000 0.413 101 T N -0.137 114.419 114.554 0.003 0.000 2.788 101 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 101 T C 1.775 176.476 174.700 0.002 0.000 1.044 101 T CA 1.196 63.297 62.100 0.002 0.000 1.139 101 T CB -0.129 68.740 68.868 0.002 0.000 0.867 101 T HN 0.305 nan 8.240 nan 0.000 0.454 102 E N 0.309 120.510 120.200 0.002 0.000 2.340 102 E HA 0.149 4.499 4.350 -0.000 0.000 0.194 102 E C 2.394 178.994 176.600 0.001 0.000 0.996 102 E CA 0.379 56.780 56.400 0.001 0.000 0.869 102 E CB -0.382 29.318 29.700 0.001 0.000 0.835 102 E HN 0.530 nan 8.360 nan 0.000 0.493 103 G N 1.684 110.485 108.800 0.002 0.000 2.464 103 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 103 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 103 G C 1.625 176.526 174.900 0.000 0.000 1.218 103 G CA 0.407 45.508 45.100 0.001 0.000 0.794 103 G HN 0.183 nan 8.290 nan 0.000 0.542 104 L N 0.308 121.531 121.223 0.000 0.000 2.261 104 L HA -0.052 4.288 4.340 -0.000 0.000 0.216 104 L C 2.714 179.584 176.870 0.000 0.000 1.114 104 L CA 1.185 56.025 54.840 -0.001 0.000 0.777 104 L CB -0.335 41.724 42.059 -0.001 0.000 0.910 104 L HN 0.241 nan 8.230 nan 0.000 0.440 105 K N 0.219 120.620 120.400 0.001 0.000 2.288 105 K HA -0.069 4.251 4.320 -0.000 0.000 0.201 105 K C 2.035 178.635 176.600 0.001 0.000 1.048 105 K CA 0.882 57.170 56.287 0.001 0.000 0.956 105 K CB 0.134 32.635 32.500 0.001 0.000 0.746 105 K HN 0.299 nan 8.250 nan 0.000 0.461 106 A N 0.104 122.924 122.820 0.000 0.000 1.862 106 A HA -0.001 4.319 4.320 -0.000 0.000 0.211 106 A C 2.069 179.652 177.584 -0.000 0.000 1.220 106 A CA 0.629 52.666 52.037 -0.000 0.000 0.616 106 A CB -0.594 18.406 19.000 -0.000 0.000 0.878 106 A HN 0.057 nan 8.150 nan 0.000 0.453 107 V N 0.564 120.477 119.914 -0.001 0.000 2.233 107 V HA -0.364 3.756 4.120 -0.000 0.000 0.252 107 V C 2.956 179.050 176.094 -0.001 0.000 1.063 107 V CA 2.381 64.680 62.300 -0.002 0.000 1.032 107 V CB -1.296 30.526 31.823 -0.002 0.000 0.645 107 V HN 0.605 nan 8.190 nan 0.000 0.446 108 A N -0.695 122.125 122.820 -0.000 0.000 2.225 108 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 108 A C 2.112 179.696 177.584 0.001 0.000 1.164 108 A CA 1.577 53.614 52.037 0.001 0.000 0.710 108 A CB -0.528 18.473 19.000 0.002 0.000 0.780 108 A HN 0.662 nan 8.150 nan 0.000 0.473 109 A N -2.155 120.665 122.820 0.000 0.000 2.238 109 A HA 0.452 4.772 4.320 -0.000 0.000 0.210 109 A C 1.596 179.180 177.584 -0.000 0.000 1.179 109 A CA 1.163 53.201 52.037 0.000 0.000 0.827 109 A CB -0.306 18.695 19.000 0.000 0.000 0.856 109 A HN 1.671 nan 8.150 nan 0.000 0.488 110 G N -1.915 106.885 108.800 -0.001 0.000 2.183 110 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.168 110 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.168 110 G C 0.060 174.958 174.900 -0.003 0.000 1.008 110 G CA 0.022 45.121 45.100 -0.002 0.000 0.677 110 G HN 0.279 nan 8.290 nan 0.000 0.498 111 M N 0.783 120.382 119.600 -0.002 0.000 2.444 111 M HA 0.379 4.859 4.480 -0.000 0.000 0.319 111 M C 0.517 176.815 176.300 -0.004 0.000 1.183 111 M CA -0.810 54.489 55.300 -0.003 0.000 1.032 111 M CB 0.843 33.442 32.600 -0.002 0.000 1.569 111 M HN 0.141 nan 8.290 nan 0.000 0.468 112 N N 1.704 120.401 118.700 -0.004 0.000 2.497 112 N HA 0.117 4.857 4.740 -0.000 0.000 0.268 112 N C -2.281 173.226 175.510 -0.005 0.000 1.171 112 N CA -1.233 51.814 53.050 -0.005 0.000 0.948 112 N CB 1.310 39.793 38.487 -0.006 0.000 1.069 112 N HN 0.253 nan 8.380 nan 0.000 0.460 113 P HA -0.049 nan 4.420 nan 0.000 0.213 113 P C 1.773 179.071 177.300 -0.004 0.000 1.170 113 P CA 1.148 64.245 63.100 -0.005 0.000 0.893 113 P CB 0.170 31.866 31.700 -0.006 0.000 0.784 114 M N -0.476 119.121 119.600 -0.005 0.000 2.260 114 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 114 M C 1.157 177.455 176.300 -0.003 0.000 1.066 114 M CA 1.696 56.994 55.300 -0.004 0.000 1.082 114 M CB -1.500 31.097 32.600 -0.006 0.000 1.388 114 M HN 0.012 nan 8.290 nan 0.000 0.419 115 D N -0.219 120.179 120.400 -0.003 0.000 2.149 115 D HA 0.029 4.669 4.640 -0.000 0.000 0.206 115 D C 2.236 178.536 176.300 -0.001 0.000 0.967 115 D CA 0.688 54.686 54.000 -0.002 0.000 0.848 115 D CB -0.179 40.619 40.800 -0.003 0.000 0.998 115 D HN 0.308 nan 8.370 nan 0.000 0.474 116 L N 1.039 122.261 121.223 -0.001 0.000 2.129 116 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 116 L C 2.475 179.346 176.870 0.001 0.000 1.087 116 L CA 1.212 56.052 54.840 -0.000 0.000 0.757 116 L CB -0.360 41.699 42.059 -0.000 0.000 0.896 116 L HN 0.035 nan 8.230 nan 0.000 0.434 117 K N 0.307 120.707 120.400 0.001 0.000 2.097 117 K HA -0.207 4.113 4.320 -0.000 0.000 0.205 117 K C 2.306 178.907 176.600 0.002 0.000 1.050 117 K CA 1.167 57.456 56.287 0.002 0.000 0.938 117 K CB 0.059 32.561 32.500 0.002 0.000 0.718 117 K HN 0.121 nan 8.250 nan 0.000 0.442 118 R N -0.213 120.287 120.500 0.000 0.000 2.057 118 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 118 R C 2.376 178.675 176.300 -0.000 0.000 1.136 118 R CA 1.569 57.669 56.100 -0.000 0.000 0.952 118 R CB -0.663 29.637 30.300 -0.001 0.000 0.848 118 R HN 0.383 nan 8.270 nan 0.000 0.430 119 G N 1.172 109.972 108.800 -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 1.434 176.335 174.900 0.000 0.000 1.156 119 G CA 1.299 46.399 45.100 -0.000 0.000 0.766 119 G HN 0.297 nan 8.290 nan 0.000 0.583 120 I N 0.617 121.187 120.570 0.001 0.000 2.202 120 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 120 I C 2.240 178.357 176.117 0.001 0.000 1.091 120 I CA 1.297 62.598 61.300 0.002 0.000 1.368 120 I CB -0.180 37.823 38.000 0.004 0.000 1.058 120 I HN 0.086 nan 8.210 nan 0.000 0.410 121 D N 0.545 120.945 120.400 0.000 0.000 2.264 121 D HA -0.183 4.457 4.640 -0.000 0.000 0.208 121 D C 2.007 178.304 176.300 -0.004 0.000 0.966 121 D CA 0.993 54.992 54.000 -0.002 0.000 0.864 121 D CB -0.007 40.793 40.800 -0.000 0.000 0.933 121 D HN 0.343 nan 8.370 nan 0.000 0.499 122 K N 0.838 121.236 120.400 -0.003 0.000 2.005 122 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 122 K C 2.131 178.729 176.600 -0.003 0.000 1.044 122 K CA 0.916 57.201 56.287 -0.003 0.000 0.942 122 K CB -0.023 32.476 32.500 -0.002 0.000 0.727 122 K HN -0.072 nan 8.250 nan 0.000 0.439 123 A N 0.884 123.703 122.820 -0.002 0.000 2.009 123 A HA -0.176 4.144 4.320 -0.000 0.000 0.222 123 A C 2.190 179.772 177.584 -0.003 0.000 1.175 123 A CA 1.948 53.984 52.037 -0.002 0.000 0.651 123 A CB -0.724 18.276 19.000 -0.000 0.000 0.815 123 A HN 0.219 nan 8.150 nan 0.000 0.459 124 V N -0.849 119.062 119.914 -0.005 0.000 2.256 124 V HA -0.179 3.941 4.120 -0.000 0.000 0.240 124 V C 2.662 178.749 176.094 -0.013 0.000 1.036 124 V CA 2.316 64.611 62.300 -0.009 0.000 1.008 124 V CB -1.263 30.553 31.823 -0.011 0.000 0.648 124 V HN 0.599 nan 8.190 nan 0.000 0.453 125 T N 0.684 115.230 114.554 -0.013 0.000 2.792 125 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 125 T C 1.831 176.525 174.700 -0.011 0.000 1.059 125 T CA 1.733 63.825 62.100 -0.014 0.000 1.136 125 T CB -0.424 68.437 68.868 -0.012 0.000 0.846 125 T HN 0.570 nan 8.240 nan 0.000 0.489 126 A N 1.388 124.203 122.820 -0.008 0.000 1.843 126 A HA 0.423 4.743 4.320 -0.000 0.000 0.213 126 A C 2.704 180.285 177.584 -0.005 0.000 1.202 126 A CA 1.295 53.329 52.037 -0.005 0.000 0.607 126 A CB -1.240 17.758 19.000 -0.003 0.000 0.847 126 A HN 0.486 nan 8.150 nan 0.000 0.445 127 A N -0.381 122.437 122.820 -0.005 0.000 2.024 127 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 127 A C 2.090 179.670 177.584 -0.006 0.000 1.164 127 A CA 1.797 53.832 52.037 -0.003 0.000 0.643 127 A CB -0.868 18.130 19.000 -0.003 0.000 0.806 127 A HN 0.427 nan 8.150 nan 0.000 0.451 128 V N -0.349 119.558 119.914 -0.012 0.000 2.626 128 V HA -0.230 3.890 4.120 -0.000 0.000 0.252 128 V C 2.264 178.351 176.094 -0.012 0.000 1.067 128 V CA 2.210 64.500 62.300 -0.017 0.000 1.081 128 V CB -0.684 31.124 31.823 -0.026 0.000 0.686 128 V HN 0.658 nan 8.190 nan 0.000 0.468 129 E N -0.224 119.971 120.200 -0.009 0.000 2.075 129 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 129 E C 2.164 178.763 176.600 -0.002 0.000 0.969 129 E CA 0.573 56.970 56.400 -0.005 0.000 0.815 129 E CB -0.091 29.606 29.700 -0.005 0.000 0.776 129 E HN 0.425 nan 8.360 nan 0.000 0.457 130 E N 0.943 121.143 120.200 -0.000 0.000 2.273 130 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 130 E C 1.690 178.293 176.600 0.005 0.000 1.002 130 E CA 0.547 56.949 56.400 0.003 0.000 0.828 130 E CB -0.023 29.679 29.700 0.004 0.000 0.747 130 E HN 0.123 nan 8.360 nan 0.000 0.491 131 L N 0.186 121.410 121.223 0.002 0.000 2.162 131 L HA 0.031 4.371 4.340 -0.000 0.000 0.205 131 L C 1.651 178.523 176.870 0.003 0.000 1.086 131 L CA 1.278 56.120 54.840 0.003 0.000 0.778 131 L CB -0.003 42.056 42.059 -0.001 0.000 0.928 131 L HN -0.082 nan 8.230 nan 0.000 0.446 132 K N -0.391 120.009 120.400 0.000 0.000 2.574 132 K HA -0.019 4.301 4.320 -0.000 0.000 0.193 132 K C 1.752 178.354 176.600 0.004 0.000 1.035 132 K CA 0.571 56.858 56.287 0.001 0.000 0.982 132 K CB -0.050 32.449 32.500 -0.002 0.000 0.795 132 K HN 0.439 nan 8.250 nan 0.000 0.491 133 A N 1.440 124.263 122.820 0.006 0.000 1.835 133 A HA -0.063 4.257 4.320 -0.000 0.000 0.213 133 A C 1.984 179.574 177.584 0.010 0.000 1.210 133 A CA 0.664 52.706 52.037 0.008 0.000 0.605 133 A CB -0.478 18.527 19.000 0.008 0.000 0.860 133 A HN 0.106 nan 8.150 nan 0.000 0.447 134 L N 0.482 121.713 121.223 0.013 0.000 2.081 134 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 134 L C 1.549 178.428 176.870 0.015 0.000 1.080 134 L CA 1.192 56.042 54.840 0.017 0.000 0.754 134 L CB -1.262 40.809 42.059 0.020 0.000 0.893 134 L HN 0.428 nan 8.230 nan 0.000 0.433 135 S N 0.395 116.102 115.700 0.012 0.000 3.074 135 S HA 0.003 4.473 4.470 -0.000 0.000 0.359 135 S C -0.145 174.461 174.600 0.011 0.000 1.207 135 S CA -0.275 57.931 58.200 0.010 0.000 1.061 135 S CB -0.075 63.129 63.200 0.007 0.000 0.769 135 S HN 0.072 nan 8.310 nan 0.000 0.512 136 V N 9.619 129.540 119.914 0.012 0.000 2.347 136 V HA 0.334 4.454 4.120 -0.000 0.000 0.280 136 V C -1.705 174.395 176.094 0.010 0.000 1.021 136 V CA -1.767 60.540 62.300 0.011 0.000 0.847 136 V CB 1.005 32.837 31.823 0.014 0.000 0.990 136 V HN 0.764 nan 8.190 nan 0.000 0.444 137 P HA -0.088 nan 4.420 nan 0.000 0.274 137 P C -0.197 177.107 177.300 0.007 0.000 1.224 137 P CA 0.112 63.216 63.100 0.007 0.000 0.803 137 P CB 0.307 32.010 31.700 0.006 0.000 0.876 138 C N 0.959 120.262 119.300 0.006 0.000 3.079 138 C HA 0.299 4.759 4.460 -0.000 0.000 0.246 138 C C 1.165 176.157 174.990 0.004 0.000 1.025 138 C CA 0.020 59.041 59.018 0.005 0.000 1.081 138 C CB -1.374 26.370 27.740 0.007 0.000 1.757 138 C HN 0.551 nan 8.230 nan 0.000 0.646 139 S N 0.609 116.311 115.700 0.003 0.000 2.527 139 S HA 0.087 4.557 4.470 -0.000 0.000 0.227 139 S C 0.356 174.957 174.600 0.001 0.000 1.059 139 S CA 0.178 58.379 58.200 0.001 0.000 0.919 139 S CB 0.042 63.243 63.200 0.001 0.000 0.805 139 S HN 0.922 nan 8.310 nan 0.000 0.500 140 D N 2.332 122.733 120.400 0.002 0.000 2.348 140 D HA 0.087 4.727 4.640 -0.000 0.000 0.253 140 D C 0.677 176.977 176.300 0.001 0.000 1.161 140 D CA -0.008 53.993 54.000 0.001 0.000 0.876 140 D CB 1.134 41.935 40.800 0.002 0.000 1.160 140 D HN 0.158 nan 8.370 nan 0.000 0.459 141 S N 1.679 117.379 115.700 0.000 0.000 2.559 141 S HA -0.246 4.224 4.470 -0.000 0.000 0.250 141 S C 1.346 175.947 174.600 0.001 0.000 0.977 141 S CA 0.725 58.925 58.200 -0.000 0.000 0.958 141 S CB -0.308 62.891 63.200 -0.001 0.000 0.751 141 S HN 0.660 nan 8.310 nan 0.000 0.534 142 K N 1.333 121.733 120.400 0.002 0.000 2.141 142 K HA 0.258 4.578 4.320 -0.000 0.000 0.202 142 K C 2.240 178.842 176.600 0.003 0.000 1.045 142 K CA 0.739 57.027 56.287 0.002 0.000 0.971 142 K CB -0.433 32.069 32.500 0.002 0.000 0.795 142 K HN 0.352 nan 8.250 nan 0.000 0.459 143 A N 1.330 124.152 122.820 0.004 0.000 2.014 143 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 143 A C 1.977 179.564 177.584 0.005 0.000 1.163 143 A CA 0.761 52.801 52.037 0.005 0.000 0.652 143 A CB -0.434 18.570 19.000 0.006 0.000 0.808 143 A HN 0.324 nan 8.150 nan 0.000 0.449 144 I N -0.336 120.236 120.570 0.004 0.000 2.286 144 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 144 I C 2.953 179.072 176.117 0.004 0.000 1.115 144 I CA 0.974 62.276 61.300 0.003 0.000 1.392 144 I CB -0.261 37.739 38.000 0.001 0.000 1.065 144 I HN 0.387 nan 8.210 nan 0.000 0.418 145 A N 0.337 123.159 122.820 0.003 0.000 1.877 145 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 145 A C 2.205 179.792 177.584 0.005 0.000 1.186 145 A CA 1.597 53.636 52.037 0.004 0.000 0.620 145 A CB -0.701 18.301 19.000 0.003 0.000 0.822 145 A HN 0.463 nan 8.150 nan 0.000 0.443 146 Q N -0.498 119.305 119.800 0.005 0.000 2.152 146 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 146 Q C 2.128 178.133 176.000 0.008 0.000 0.985 146 Q CA 1.684 57.491 55.803 0.006 0.000 0.863 146 Q CB -0.479 28.263 28.738 0.007 0.000 0.904 146 Q HN 0.512 nan 8.270 nan 0.000 0.422 147 V N 0.369 120.288 119.914 0.009 0.000 2.221 147 V HA -0.195 3.925 4.120 -0.000 0.000 0.242 147 V C 2.295 178.397 176.094 0.012 0.000 1.041 147 V CA 2.085 64.392 62.300 0.011 0.000 0.995 147 V CB -1.291 30.539 31.823 0.012 0.000 0.635 147 V HN 0.557 nan 8.190 nan 0.000 0.448 148 G N -0.739 108.068 108.800 0.011 0.000 2.507 148 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 148 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 148 G C 1.643 176.550 174.900 0.011 0.000 1.119 148 G CA 1.769 46.877 45.100 0.013 0.000 0.751 148 G HN 0.487 nan 8.290 nan 0.000 0.574 149 T N 0.947 115.506 114.554 0.009 0.000 2.867 149 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 149 T C 2.295 176.999 174.700 0.008 0.000 1.057 149 T CA 0.805 62.909 62.100 0.007 0.000 1.136 149 T CB -0.083 68.788 68.868 0.006 0.000 0.874 149 T HN 0.324 nan 8.240 nan 0.000 0.466 150 I N 0.657 121.232 120.570 0.009 0.000 2.876 150 I HA 0.005 4.175 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 0.531 61.836 61.300 0.008 0.000 1.485 150 I CB -0.078 37.927 38.000 0.009 0.000 1.103 150 I HN 0.107 nan 8.210 nan 0.000 0.446 151 S N 0.844 116.552 115.700 0.013 0.000 2.527 151 S HA 0.143 4.613 4.470 -0.000 0.000 0.222 151 S C 1.665 176.274 174.600 0.015 0.000 0.985 151 S CA 0.736 58.946 58.200 0.016 0.000 0.921 151 S CB 0.135 63.349 63.200 0.024 0.000 0.772 151 S HN 0.481 nan 8.310 nan 0.000 0.529 152 A N 1.338 124.165 122.820 0.012 0.000 2.500 152 A HA 0.446 4.766 4.320 -0.000 0.000 0.267 152 A C 0.564 178.152 177.584 0.007 0.000 1.290 152 A CA -0.368 51.675 52.037 0.011 0.000 0.928 152 A CB -0.394 18.612 19.000 0.010 0.000 1.066 152 A HN 0.365 nan 8.150 nan 0.000 0.516 153 N N -0.234 118.470 118.700 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 1.047 54.100 53.050 0.004 0.000 0.699 153 N CB -1.870 36.619 38.487 0.003 0.000 0.919 153 N HN 0.520 nan 8.380 nan 0.000 0.548 154 S N -1.562 114.140 115.700 0.003 0.000 3.490 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.301 154 S C -0.359 174.243 174.600 0.003 0.000 1.233 154 S CA 0.832 59.033 58.200 0.003 0.000 0.914 154 S CB -1.043 62.157 63.200 0.001 0.000 1.047 154 S HN 0.769 nan 8.310 nan 0.000 0.602 155 D N 1.370 121.772 120.400 0.004 0.000 2.441 155 D HA 0.219 4.859 4.640 -0.000 0.000 0.221 155 D C 1.132 177.434 176.300 0.004 0.000 1.156 155 D CA -0.263 53.739 54.000 0.004 0.000 0.896 155 D CB 0.496 41.298 40.800 0.004 0.000 1.028 155 D HN 0.476 nan 8.370 nan 0.000 0.509 156 E N 1.362 121.564 120.200 0.003 0.000 2.130 156 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 156 E C 1.526 178.127 176.600 0.003 0.000 0.998 156 E CA 1.307 57.708 56.400 0.003 0.000 0.806 156 E CB 0.143 29.844 29.700 0.002 0.000 0.738 156 E HN 0.502 nan 8.360 nan 0.000 0.459 157 T N 1.045 115.600 114.554 0.002 0.000 2.699 157 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 157 T C 2.104 176.805 174.700 0.003 0.000 1.036 157 T CA 1.492 63.593 62.100 0.002 0.000 1.147 157 T CB -0.336 68.533 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.506 121.423 119.914 0.004 0.000 2.216 158 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 158 V C 2.931 179.027 176.094 0.004 0.000 1.044 158 V CA 2.008 64.311 62.300 0.005 0.000 0.995 158 V CB -1.645 30.182 31.823 0.007 0.000 0.633 158 V HN 0.579 nan 8.190 nan 0.000 0.446 159 G N 0.018 108.821 108.800 0.005 0.000 2.663 159 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.222 159 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.222 159 G C 1.632 176.533 174.900 0.002 0.000 1.146 159 G CA 1.821 46.923 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 1.985 160 K HA 0.026 4.346 4.320 -0.000 0.000 0.210 160 K C 2.639 179.239 176.600 -0.001 0.000 1.047 160 K CA 1.179 57.466 56.287 0.000 0.000 0.932 160 K CB -0.382 32.118 32.500 0.000 0.000 0.716 160 K HN 0.349 nan 8.250 nan 0.000 0.439 161 L N 1.140 122.363 121.223 -0.001 0.000 2.034 161 L HA -0.291 4.050 4.340 -0.000 0.000 0.217 161 L C 2.493 179.361 176.870 -0.004 0.000 1.077 161 L CA 1.607 56.446 54.840 -0.002 0.000 0.769 161 L CB -0.406 41.653 42.059 -0.001 0.000 0.890 161 L HN 0.332 nan 8.230 nan 0.000 0.435 162 I N -0.802 119.767 120.570 -0.003 0.000 2.090 162 I HA -0.330 3.840 4.170 -0.000 0.000 0.236 162 I C 2.808 178.921 176.117 -0.006 0.000 1.064 162 I CA 1.280 62.577 61.300 -0.006 0.000 1.324 162 I CB -0.661 37.337 38.000 -0.003 0.000 1.044 162 I HN 0.249 nan 8.210 nan 0.000 0.399 163 A N 0.598 123.416 122.820 -0.004 0.000 1.915 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 163 A C 2.179 179.760 177.584 -0.005 0.000 1.198 163 A CA 2.303 54.337 52.037 -0.004 0.000 0.647 163 A CB -0.890 18.109 19.000 -0.002 0.000 0.825 163 A HN 0.550 nan 8.150 nan 0.000 0.456 164 E N -0.633 119.564 120.200 -0.005 0.000 2.153 164 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 164 E C 2.323 178.919 176.600 -0.007 0.000 0.988 164 E CA 0.854 57.251 56.400 -0.005 0.000 0.811 164 E CB -0.278 29.420 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 -0.009 0.000 1.854 165 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 165 A C 2.183 179.759 177.584 -0.013 0.000 1.192 165 A CA 1.156 53.187 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 0.104 nan 8.150 nan 0.000 0.442 166 M N -0.832 118.760 119.600 -0.013 0.000 2.213 166 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 166 M C 1.370 177.664 176.300 -0.010 0.000 1.062 166 M CA 1.725 57.017 55.300 -0.013 0.000 1.105 166 M CB -0.580 32.012 32.600 -0.013 0.000 1.385 166 M HN 0.366 nan 8.290 nan 0.000 0.417 167 D N 0.286 120.682 120.400 -0.008 0.000 2.378 167 D HA -0.059 4.581 4.640 -0.000 0.000 0.227 167 D C 1.808 178.104 176.300 -0.007 0.000 1.012 167 D CA 0.749 54.745 54.000 -0.007 0.000 0.905 167 D CB 0.309 41.106 40.800 -0.005 0.000 0.895 167 D HN 0.035 nan 8.370 nan 0.000 0.532 168 K N -0.653 119.742 120.400 -0.008 0.000 2.370 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.194 168 K C 0.873 177.468 176.600 -0.009 0.000 1.070 168 K CA 0.447 56.729 56.287 -0.008 0.000 0.998 168 K CB 1.516 34.011 32.500 -0.009 0.000 0.911 168 K HN 0.153 nan 8.250 nan 0.000 0.533 169 V N -3.050 116.858 119.914 -0.011 0.000 3.261 169 V HA 0.437 4.557 4.120 -0.000 0.000 0.330 169 V C 0.256 176.343 176.094 -0.012 0.000 1.461 169 V CA -0.200 62.093 62.300 -0.011 0.000 1.127 169 V CB 0.087 31.902 31.823 -0.014 0.000 1.044 169 V HN 0.215 nan 8.190 nan 0.000 0.499 170 G N 2.537 111.330 108.800 -0.010 0.000 2.750 170 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 170 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 170 G C 0.262 175.155 174.900 -0.012 0.000 1.395 170 G CA -0.002 45.092 45.100 -0.010 0.000 0.918 170 G HN 0.790 nan 8.290 nan 0.000 0.594 171 K N 0.339 120.732 120.400 -0.011 0.000 2.633 171 K HA -0.022 4.298 4.320 -0.000 0.000 0.193 171 K C 0.619 177.210 176.600 -0.015 0.000 1.033 171 K CA 1.380 57.659 56.287 -0.013 0.000 0.980 171 K CB 0.385 32.880 32.500 -0.009 0.000 0.800 171 K HN 0.519 nan 8.250 nan 0.000 0.493 172 E N 1.100 121.291 120.200 -0.014 0.000 2.651 172 E HA 0.126 4.476 4.350 -0.000 0.000 0.208 172 E C 0.405 176.995 176.600 -0.017 0.000 0.997 172 E CA -0.099 56.293 56.400 -0.014 0.000 1.020 172 E CB 1.177 30.871 29.700 -0.010 0.000 1.052 172 E HN 0.415 nan 8.360 nan 0.000 0.465 173 G N 0.384 109.172 108.800 -0.021 0.000 2.642 173 G HA2 0.439 4.399 3.960 -0.000 0.000 0.291 173 G HA3 0.439 4.399 3.960 -0.000 0.000 0.291 173 G C -0.078 174.803 174.900 -0.032 0.000 1.345 173 G CA -0.434 44.653 45.100 -0.022 0.000 1.043 173 G HN -0.034 nan 8.290 nan 0.000 0.528 174 V N 0.045 119.940 119.914 -0.031 0.000 2.509 174 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 174 V C -0.116 175.953 176.094 -0.043 0.000 1.047 174 V CA -0.353 61.922 62.300 -0.041 0.000 0.952 174 V CB 0.903 32.703 31.823 -0.038 0.000 0.988 174 V HN 0.482 nan 8.190 nan 0.000 0.469 175 I N 3.121 123.658 120.570 -0.054 0.000 2.571 175 I HA 0.515 4.685 4.170 -0.000 0.000 0.289 175 I C -0.387 175.698 176.117 -0.053 0.000 1.115 175 I CA -0.150 61.120 61.300 -0.049 0.000 1.045 175 I CB 2.480 40.449 38.000 -0.052 0.000 1.238 175 I HN 0.615 nan 8.210 nan 0.000 0.424 176 T N 4.574 119.105 114.554 -0.039 0.000 2.907 176 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 176 T C -0.500 174.187 174.700 -0.020 0.000 1.043 176 T CA -0.721 61.360 62.100 -0.032 0.000 1.003 176 T CB 2.499 71.349 68.868 -0.031 0.000 1.084 176 T HN 0.385 nan 8.240 nan 0.000 0.483 177 V N 0.071 119.978 119.914 -0.012 0.000 2.378 177 V HA 0.640 4.760 4.120 -0.000 0.000 0.288 177 V C -0.189 175.904 176.094 -0.002 0.000 1.016 177 V CA -0.822 61.475 62.300 -0.004 0.000 0.840 177 V CB 1.008 32.833 31.823 0.004 0.000 0.994 177 V HN 0.864 nan 8.190 nan 0.000 0.431 178 E N 2.564 122.762 120.200 -0.004 0.000 2.961 178 E HA 0.424 4.774 4.350 -0.000 0.000 0.254 178 E C -0.928 175.672 176.600 0.000 0.000 1.192 178 E CA -0.932 55.466 56.400 -0.003 0.000 1.069 178 E CB 0.816 30.513 29.700 -0.006 0.000 1.338 178 E HN 0.764 nan 8.360 nan 0.000 0.596 179 D N -0.114 120.286 120.400 -0.000 0.000 2.229 179 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 179 D C -0.138 176.162 176.300 -0.000 0.000 1.027 179 D CA -0.221 53.780 54.000 0.001 0.000 0.923 179 D CB 1.495 42.297 40.800 0.002 0.000 1.174 179 D HN 0.441 nan 8.370 nan 0.000 0.443 180 G N -0.891 107.909 108.800 0.001 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 0.845 175.744 174.900 -0.001 0.000 1.202 180 G CA -0.307 44.793 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.774 111.780 114.554 -0.001 0.000 3.069 181 T HA 0.468 4.818 4.350 -0.000 0.000 0.252 181 T C 0.979 175.679 174.700 -0.001 0.000 1.053 181 T CA 0.523 62.622 62.100 -0.002 0.000 0.964 181 T CB 0.343 69.209 68.868 -0.002 0.000 1.005 181 T HN 2.009 nan 8.240 nan 0.000 0.532 182 G N 2.002 110.802 108.800 -0.000 0.000 2.421 182 G HA2 0.305 4.265 3.960 -0.000 0.000 0.360 182 G HA3 0.305 4.265 3.960 -0.000 0.000 0.360 182 G C -0.577 174.323 174.900 -0.000 0.000 1.219 182 G CA -0.618 44.482 45.100 -0.000 0.000 1.257 182 G HN 0.621 nan 8.290 nan 0.000 0.609 183 L N 0.004 121.228 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.356 183 L C 0.479 177.349 176.870 -0.000 0.000 1.007 183 L CA 2.325 57.165 54.840 0.000 0.000 1.222 183 L CB -0.319 41.740 42.059 0.000 0.000 0.016 183 L HN 1.799 nan 8.230 nan 0.000 0.101 184 Q N 1.538 121.337 119.800 -0.000 0.000 2.667 184 Q HA -0.125 4.215 4.340 -0.000 0.000 0.210 184 Q C -0.604 175.396 176.000 -0.001 0.000 1.417 184 Q CA 1.026 56.828 55.803 -0.000 0.000 0.607 184 Q CB -0.592 28.146 28.738 -0.001 0.000 0.739 184 Q HN 0.596 nan 8.270 nan 0.000 0.315 185 D N 3.356 123.756 120.400 -0.001 0.000 2.455 185 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 185 D C 0.311 176.610 176.300 -0.002 0.000 1.138 185 D CA 0.772 54.771 54.000 -0.001 0.000 0.877 185 D CB 0.714 41.514 40.800 -0.001 0.000 1.187 185 D HN 0.310 nan 8.370 nan 0.000 0.451 186 E N 0.292 120.490 120.200 -0.003 0.000 2.221 186 E HA 0.600 4.950 4.350 -0.000 0.000 0.268 186 E C -0.901 175.696 176.600 -0.005 0.000 0.933 186 E CA -0.996 55.402 56.400 -0.004 0.000 0.809 186 E CB 2.279 31.977 29.700 -0.004 0.000 1.190 186 E HN 0.125 nan 8.360 nan 0.000 0.406 187 L N 2.743 123.963 121.223 -0.005 0.000 2.543 187 L HA 0.411 4.751 4.340 -0.000 0.000 0.265 187 L C -2.201 174.665 176.870 -0.007 0.000 0.945 187 L CA -0.264 54.572 54.840 -0.006 0.000 0.869 187 L CB 1.775 43.830 42.059 -0.006 0.000 1.294 187 L HN 0.601 nan 8.230 nan 0.000 0.405 188 D N 3.532 123.927 120.400 -0.008 0.000 2.623 188 D HA 0.431 5.071 4.640 -0.000 0.000 0.241 188 D C -1.316 174.979 176.300 -0.009 0.000 1.241 188 D CA -0.422 53.573 54.000 -0.008 0.000 0.788 188 D CB 2.088 42.884 40.800 -0.007 0.000 1.413 188 D HN 0.302 nan 8.370 nan 0.000 0.429 189 V N 0.295 120.204 119.914 -0.008 0.000 2.427 189 V HA 0.574 4.694 4.120 -0.000 0.000 0.286 189 V C 0.381 176.470 176.094 -0.008 0.000 1.034 189 V CA -0.637 61.658 62.300 -0.009 0.000 0.893 189 V CB 1.229 33.047 31.823 -0.008 0.000 0.982 189 V HN 0.597 nan 8.190 nan 0.000 0.452 190 V N 1.300 121.208 119.914 -0.009 0.000 2.962 190 V HA 0.648 4.768 4.120 -0.000 0.000 0.313 190 V C -0.322 175.768 176.094 -0.007 0.000 1.099 190 V CA -1.024 61.271 62.300 -0.008 0.000 0.971 190 V CB 2.170 33.987 31.823 -0.010 0.000 1.028 190 V HN 0.708 nan 8.190 nan 0.000 0.430 191 E N 2.478 122.675 120.200 -0.004 0.000 2.341 191 E HA 0.464 4.814 4.350 -0.000 0.000 0.256 191 E C 0.357 176.957 176.600 0.001 0.000 1.125 191 E CA 0.840 57.240 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 1.099 nan 8.360 nan 0.000 0.458 192 G N 1.680 110.482 108.800 0.003 0.000 2.911 192 G HA2 0.751 4.711 3.960 -0.000 0.000 0.299 192 G HA3 0.751 4.711 3.960 -0.000 0.000 0.299 192 G C -0.920 173.990 174.900 0.016 0.000 1.283 192 G CA -0.554 44.550 45.100 0.005 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.880 118.730 119.600 0.016 0.000 2.895 193 M HA 0.519 4.999 4.480 -0.000 0.000 0.271 193 M C -2.461 173.840 176.300 0.002 0.000 1.174 193 M CA -0.621 54.703 55.300 0.040 0.000 0.816 193 M CB 2.379 35.039 32.600 0.101 0.000 1.647 193 M HN 0.635 nan 8.290 nan 0.000 0.506 194 Q N 2.746 122.555 119.800 0.016 0.000 2.280 194 Q HA 0.541 4.881 4.340 -0.000 0.000 0.259 194 Q C -2.257 173.740 176.000 -0.006 0.000 0.964 194 Q CA -0.514 55.224 55.803 -0.108 0.000 0.844 194 Q CB 1.848 30.524 28.738 -0.103 0.000 1.334 194 Q HN 0.584 nan 8.270 nan 0.000 0.423 195 F N -0.016 119.926 119.950 -0.013 0.000 2.579 195 F HA 0.547 5.074 4.527 -0.000 0.000 0.324 195 F C 0.114 175.907 175.800 -0.011 0.000 1.058 195 F CA -1.141 56.854 58.000 -0.009 0.000 0.944 195 F CB 0.967 39.965 39.000 -0.003 0.000 1.245 195 F HN 0.284 nan 8.300 nan 0.000 0.477 196 D N 2.461 122.990 120.400 0.214 0.000 2.982 196 D HA 0.093 4.733 4.640 -0.000 0.000 0.238 196 D C -0.167 176.213 176.300 0.134 0.000 1.168 196 D CA 0.347 54.413 54.000 0.110 0.000 0.947 196 D CB -0.051 40.801 40.800 0.087 0.000 1.147 196 D HN 0.245 nan 8.370 nan 0.000 0.450 197 R N -0.047 120.555 120.500 0.169 0.000 2.686 197 R HA 0.599 4.939 4.340 -0.000 0.000 0.286 197 R C 0.359 176.667 176.300 0.014 0.000 0.969 197 R CA -0.724 55.469 56.100 0.156 0.000 0.898 197 R CB 2.191 32.701 30.300 0.350 0.000 1.183 197 R HN 0.105 nan 8.270 nan 0.000 0.456 198 G N 0.834 109.611 108.800 -0.039 0.000 2.667 198 G HA2 0.456 4.416 3.960 -0.000 0.000 0.310 198 G HA3 0.456 4.416 3.960 -0.000 0.000 0.310 198 G C -0.758 174.101 174.900 -0.068 0.000 1.259 198 G CA -0.570 44.422 45.100 -0.180 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.823 119.500 120.300 0.039 0.000 2.652 199 Y HA 0.268 4.818 4.550 -0.000 0.000 0.344 199 Y C 1.344 177.309 175.900 0.109 0.000 1.254 199 Y CA -1.019 57.116 58.100 0.058 0.000 1.480 199 Y CB 0.188 38.721 38.460 0.123 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.264 122.733 121.223 0.410 0.000 2.240 200 L HA 0.055 4.395 4.340 -0.000 0.000 0.211 200 L C 0.521 177.603 176.870 0.353 0.000 1.106 200 L CA 1.168 56.212 54.840 0.340 0.000 0.793 200 L CB -0.453 41.775 42.059 0.282 0.000 0.927 200 L HN 0.840 nan 8.230 nan 0.000 0.446 201 S N -3.111 112.824 115.700 0.393 0.000 2.547 201 S HA 0.488 4.958 4.470 -0.000 0.000 0.270 201 S C -2.756 171.693 174.600 -0.253 0.000 1.150 201 S CA -1.204 57.043 58.200 0.080 0.000 0.850 201 S CB 2.056 65.281 63.200 0.041 0.000 1.118 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.213 nan 4.420 nan 0.000 0.317 202 P C 0.255 177.236 177.300 -0.532 0.000 1.427 202 P CA 0.551 63.165 63.100 -0.809 0.000 0.820 202 P CB -0.156 31.075 31.700 -0.781 0.000 1.894 203 Y N -4.551 115.572 120.300 -0.296 0.000 2.843 203 Y HA -0.314 4.236 4.550 -0.000 0.000 0.492 203 Y C 1.963 177.738 175.900 -0.208 0.000 1.055 203 Y CA 1.481 59.420 58.100 -0.268 0.000 2.997 203 Y CB -3.171 35.076 38.460 -0.356 0.000 0.837 203 Y HN 0.081 nan 8.280 nan 0.000 0.553 204 F N 0.470 120.429 119.950 0.017 0.000 2.236 204 F HA -0.128 4.399 4.527 -0.000 0.000 0.302 204 F C 1.504 177.305 175.800 0.001 0.000 1.073 204 F CA 0.990 58.998 58.000 0.013 0.000 1.336 204 F CB -0.761 38.242 39.000 0.006 0.000 1.040 204 F HN -0.009 nan 8.300 nan 0.000 0.507 205 I N 2.485 123.126 120.570 0.118 0.000 2.943 205 I HA -0.224 3.946 4.170 -0.000 0.000 0.296 205 I C 0.761 176.924 176.117 0.077 0.000 1.220 205 I CA 0.534 61.876 61.300 0.069 0.000 1.409 205 I CB -0.119 37.870 38.000 -0.017 0.000 1.374 205 I HN 0.237 nan 8.210 nan 0.000 0.545 206 N N 4.834 123.583 118.700 0.081 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.021 175.519 175.510 0.050 0.000 1.151 206 N CA -0.135 52.955 53.050 0.065 0.000 0.878 206 N CB 0.481 39.009 38.487 0.069 0.000 1.014 206 N HN 0.485 nan 8.380 nan 0.000 0.512 207 K N 1.148 121.579 120.400 0.051 0.000 2.842 207 K HA 0.246 4.566 4.320 -0.000 0.000 0.176 207 K C -2.153 174.471 176.600 0.040 0.000 1.080 207 K CA -1.558 54.754 56.287 0.042 0.000 0.954 207 K CB 1.882 34.407 32.500 0.041 0.000 1.203 207 K HN 0.000 nan 8.250 nan 0.000 0.611 208 P HA -0.174 nan 4.420 nan 0.000 0.231 208 P C 0.205 177.518 177.300 0.022 0.000 1.154 208 P CA 1.095 64.210 63.100 0.025 0.000 0.762 208 P CB 0.505 32.216 31.700 0.019 0.000 0.790 209 E N -0.146 120.068 120.200 0.024 0.000 2.021 209 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 209 E C 2.062 178.673 176.600 0.019 0.000 0.980 209 E CA 1.689 58.100 56.400 0.018 0.000 0.803 209 E CB -0.921 28.790 29.700 0.018 0.000 0.766 209 E HN 0.197 nan 8.360 nan 0.000 0.449 210 T N -1.272 113.299 114.554 0.028 0.000 2.942 210 T HA 0.112 4.462 4.350 -0.000 0.000 0.265 210 T C 1.349 176.075 174.700 0.044 0.000 1.062 210 T CA 0.900 63.019 62.100 0.032 0.000 1.139 210 T CB 0.022 68.916 68.868 0.043 0.000 0.883 210 T HN 0.420 nan 8.240 nan 0.000 0.468 211 G N 1.072 109.906 108.800 0.056 0.000 2.130 211 G HA2 0.106 4.066 3.960 -0.000 0.000 0.216 211 G HA3 0.106 4.066 3.960 -0.000 0.000 0.216 211 G C 0.037 175.026 174.900 0.148 0.000 0.999 211 G CA -0.053 45.096 45.100 0.082 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.543 121.354 122.820 0.127 0.000 2.486 212 A HA 0.989 5.309 4.320 -0.000 0.000 0.277 212 A C -0.282 177.384 177.584 0.136 0.000 1.282 212 A CA -0.137 52.002 52.037 0.169 0.000 0.784 212 A CB 1.628 20.694 19.000 0.110 0.000 1.350 212 A HN 1.249 nan 8.150 nan 0.000 0.454 213 V N 0.235 120.233 119.914 0.140 0.000 2.769 213 V HA 0.667 4.787 4.120 -0.000 0.000 0.312 213 V C -0.314 175.818 176.094 0.063 0.000 1.058 213 V CA -0.423 61.942 62.300 0.108 0.000 0.952 213 V CB 1.630 33.530 31.823 0.128 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.821 123.052 120.200 0.051 0.000 2.278 214 E HA 0.617 4.967 4.350 -0.000 0.000 0.272 214 E C -2.019 174.595 176.600 0.024 0.000 0.890 214 E CA -0.540 55.877 56.400 0.028 0.000 0.770 214 E CB 1.698 31.413 29.700 0.025 0.000 1.212 214 E HN 0.624 nan 8.360 nan 0.000 0.415 215 L N 3.405 124.635 121.223 0.011 0.000 2.381 215 L HA 0.520 4.860 4.340 -0.000 0.000 0.274 215 L C -0.437 176.426 176.870 -0.011 0.000 0.988 215 L CA -0.872 53.972 54.840 0.007 0.000 0.824 215 L CB 2.002 44.066 42.059 0.008 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.509 121.700 120.200 -0.015 0.000 2.156 216 E HA 0.303 4.653 4.350 -0.000 0.000 0.279 216 E C -0.163 176.402 176.600 -0.058 0.000 0.965 216 E CA -0.538 55.844 56.400 -0.031 0.000 0.789 216 E CB 1.563 31.251 29.700 -0.021 0.000 1.098 216 E HN 0.634 nan 8.360 nan 0.000 0.397 217 S N 1.742 117.394 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.041 172.429 174.600 -0.218 0.000 1.023 217 S CA 0.399 58.516 58.200 -0.140 0.000 1.114 217 S CB -1.326 61.795 63.200 -0.131 0.000 0.907 217 S HN 0.515 nan 8.310 nan 0.000 0.470 218 P HA 0.555 nan 4.420 nan 0.000 0.279 218 P C -0.126 177.042 177.300 -0.220 0.000 1.276 218 P CA -0.614 62.397 63.100 -0.148 0.000 0.801 218 P CB 0.546 32.227 31.700 -0.031 0.000 1.127 219 F N -0.516 119.441 119.950 0.011 0.000 2.432 219 F HA 0.477 5.004 4.527 -0.000 0.000 0.329 219 F C 0.746 176.553 175.800 0.012 0.000 1.076 219 F CA -0.442 57.565 58.000 0.012 0.000 1.018 219 F CB 0.891 39.898 39.000 0.012 0.000 1.201 219 F HN 0.045 nan 8.300 nan 0.000 0.489 220 I N 3.129 123.842 120.570 0.238 0.000 2.569 220 I HA 0.386 4.556 4.170 -0.000 0.000 0.296 220 I C -1.430 174.750 176.117 0.105 0.000 1.028 220 I CA -1.120 60.260 61.300 0.133 0.000 1.082 220 I CB 2.094 40.154 38.000 0.099 0.000 1.264 220 I HN 0.233 nan 8.210 nan 0.000 0.429 221 L N 6.862 128.127 121.223 0.070 0.000 2.298 221 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 221 L C -1.091 175.797 176.870 0.031 0.000 1.013 221 L CA -0.188 54.677 54.840 0.042 0.000 0.824 221 L CB 0.963 43.041 42.059 0.031 0.000 1.221 221 L HN 0.472 nan 8.230 nan 0.000 0.418 222 L N 6.136 127.372 121.223 0.023 0.000 2.301 222 L HA 0.794 5.134 4.340 -0.000 0.000 0.278 222 L C -0.273 176.599 176.870 0.003 0.000 1.022 222 L CA -0.426 54.420 54.840 0.009 0.000 0.854 222 L CB 1.176 43.240 42.059 0.008 0.000 1.226 222 L HN 0.778 nan 8.230 nan 0.000 0.429 223 A N 1.831 124.652 122.820 0.001 0.000 2.381 223 A HA 0.440 4.760 4.320 -0.000 0.000 0.299 223 A C -1.043 176.539 177.584 -0.002 0.000 1.049 223 A CA -0.585 51.452 52.037 0.000 0.000 0.715 223 A CB 1.448 20.451 19.000 0.005 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.540 122.937 120.400 -0.004 0.000 2.422 224 D HA 0.483 5.123 4.640 -0.000 0.000 0.227 224 D C -0.044 176.258 176.300 0.003 0.000 1.190 224 D CA 0.424 54.422 54.000 -0.004 0.000 0.905 224 D CB -0.297 40.498 40.800 -0.008 0.000 1.034 224 D HN 0.701 nan 8.370 nan 0.000 0.507 225 K N 0.713 121.117 120.400 0.008 0.000 3.663 225 K HA 0.132 4.452 4.320 -0.000 0.000 0.413 225 K C -1.406 175.205 176.600 0.018 0.000 1.089 225 K CA -1.131 55.164 56.287 0.013 0.000 0.860 225 K CB 0.257 32.764 32.500 0.011 0.000 1.492 225 K HN 0.018 nan 8.250 nan 0.000 0.517 226 K N 0.879 121.291 120.400 0.021 0.000 2.118 226 K HA 0.512 4.832 4.320 -0.000 0.000 0.264 226 K C -0.501 176.114 176.600 0.025 0.000 1.000 226 K CA -0.626 55.676 56.287 0.025 0.000 0.929 226 K CB 0.883 33.399 32.500 0.026 0.000 1.021 226 K HN 0.378 nan 8.250 nan 0.000 0.463 227 I N 1.670 122.259 120.570 0.030 0.000 2.439 227 I HA 0.100 4.270 4.170 -0.000 0.000 0.283 227 I C 0.159 176.297 176.117 0.035 0.000 1.023 227 I CA -0.110 61.209 61.300 0.031 0.000 1.100 227 I CB 1.911 39.931 38.000 0.033 0.000 1.238 227 I HN 0.624 nan 8.210 nan 0.000 0.445 228 S N 2.822 118.540 115.700 0.029 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.718 175.334 174.600 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 63.501 63.200 0.025 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.905 121.618 118.700 0.022 0.000 2.399 229 N HA 0.186 4.926 4.740 -0.000 0.000 0.259 229 N C 0.679 176.200 175.510 0.019 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.853 39.348 38.487 0.014 0.000 1.156 229 N HN 0.333 nan 8.380 nan 0.000 0.489 230 I N 3.256 123.839 120.570 0.021 0.000 2.423 230 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 230 I C 1.898 178.025 176.117 0.016 0.000 1.151 230 I CA 1.186 62.500 61.300 0.022 0.000 1.421 230 I CB 0.204 38.217 38.000 0.022 0.000 1.079 230 I HN 0.430 nan 8.210 nan 0.000 0.431 231 R N 0.820 121.327 120.500 0.012 0.000 2.119 231 R HA -0.241 4.099 4.340 -0.000 0.000 0.246 231 R C 1.944 178.248 176.300 0.007 0.000 1.146 231 R CA 2.149 58.254 56.100 0.008 0.000 0.962 231 R CB -0.474 29.831 30.300 0.007 0.000 0.863 231 R HN 0.574 nan 8.270 nan 0.000 0.442 232 E N -0.183 120.022 120.200 0.009 0.000 2.265 232 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 232 E C 1.911 178.514 176.600 0.005 0.000 0.996 232 E CA 0.850 57.254 56.400 0.006 0.000 0.832 232 E CB 0.027 29.732 29.700 0.009 0.000 0.756 232 E HN 0.270 nan 8.360 nan 0.000 0.491 233 M N 0.215 119.820 119.600 0.008 0.000 2.115 233 M HA -0.053 4.427 4.480 -0.000 0.000 0.261 233 M C 2.408 178.708 176.300 0.001 0.000 1.079 233 M CA 1.099 56.404 55.300 0.008 0.000 1.143 233 M CB -1.043 31.567 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.597 121.821 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.441 176.423 176.870 -0.010 0.000 1.106 234 L CA 2.061 56.900 54.840 -0.001 0.000 0.827 234 L CB -2.846 39.213 42.059 0.000 0.000 0.915 234 L HN 0.221 nan 8.230 nan 0.000 0.448 235 P HA -0.108 nan 4.420 nan 0.000 0.226 235 P C 1.384 178.665 177.300 -0.032 0.000 1.146 235 P CA 1.360 64.449 63.100 -0.019 0.000 0.773 235 P CB 0.212 31.902 31.700 -0.016 0.000 0.772 236 V N -1.300 118.595 119.914 -0.033 0.000 3.359 236 V HA 0.070 4.190 4.120 -0.000 0.000 0.245 236 V C 2.448 178.511 176.094 -0.051 0.000 1.247 236 V CA 0.245 62.513 62.300 -0.053 0.000 1.145 236 V CB -0.506 31.288 31.823 -0.048 0.000 0.906 236 V HN -0.044 nan 8.190 nan 0.000 0.464 237 L N 0.270 121.480 121.223 -0.023 0.000 2.456 237 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 237 L C 2.222 179.086 176.870 -0.010 0.000 1.148 237 L CA 1.456 56.292 54.840 -0.008 0.000 0.825 237 L CB -0.182 41.883 42.059 0.010 0.000 0.937 237 L HN 0.467 nan 8.230 nan 0.000 0.450 238 E N -0.467 119.721 120.200 -0.020 0.000 2.290 238 E HA 0.041 4.391 4.350 -0.000 0.000 0.197 238 E C 2.126 178.707 176.600 -0.032 0.000 0.948 238 E CA 0.618 57.008 56.400 -0.017 0.000 0.895 238 E CB 0.145 29.837 29.700 -0.013 0.000 0.865 238 E HN 0.387 nan 8.360 nan 0.000 0.486 239 A N 0.967 123.753 122.820 -0.057 0.000 2.168 239 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 239 A C 1.983 179.493 177.584 -0.124 0.000 1.152 239 A CA 0.647 52.633 52.037 -0.086 0.000 0.716 239 A CB 0.092 19.027 19.000 -0.110 0.000 0.794 239 A HN 0.077 nan 8.150 nan 0.000 0.465 240 V N -1.254 118.598 119.914 -0.102 0.000 3.621 240 V HA 0.142 4.262 4.120 -0.000 0.000 0.285 240 V C 2.316 178.420 176.094 0.017 0.000 1.346 240 V CA 0.832 63.082 62.300 -0.084 0.000 1.104 240 V CB 0.036 31.813 31.823 -0.077 0.000 0.913 240 V HN 0.532 nan 8.190 nan 0.000 0.432 241 A N -0.273 122.552 122.820 0.009 0.000 1.975 241 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 241 A C 1.439 179.045 177.584 0.036 0.000 1.170 241 A CA 0.709 52.763 52.037 0.028 0.000 0.656 241 A CB 0.025 19.035 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.142 118.273 120.400 0.024 0.000 2.118 242 K HA 0.434 4.754 4.320 -0.000 0.000 0.240 242 K C 1.063 177.706 176.600 0.071 0.000 1.035 242 K CA 0.301 56.609 56.287 0.034 0.000 0.899 242 K CB 0.332 32.841 32.500 0.014 0.000 1.085 242 K HN 0.598 nan 8.250 nan 0.000 0.498 243 A N 0.311 123.179 122.820 0.081 0.000 4.115 243 A HA -0.239 4.081 4.320 -0.000 0.000 0.268 243 A C 1.204 178.863 177.584 0.124 0.000 0.917 243 A CA 1.792 53.904 52.037 0.126 0.000 1.090 243 A CB -2.442 16.694 19.000 0.228 0.000 1.067 243 A HN 1.392 nan 8.150 nan 0.000 0.828 244 G N -1.226 107.636 108.800 0.104 0.000 2.321 244 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G C -0.018 174.939 174.900 0.095 0.000 1.018 244 G CA 1.519 46.670 45.100 0.085 0.000 0.855 244 G HN 1.168 nan 8.290 nan 0.000 0.507 245 K N 0.721 121.216 120.400 0.159 0.000 2.207 245 K HA 0.518 4.838 4.320 -0.000 0.000 0.255 245 K C -2.003 174.702 176.600 0.174 0.000 0.941 245 K CA -1.996 54.367 56.287 0.127 0.000 0.825 245 K CB 2.354 34.881 32.500 0.045 0.000 1.119 245 K HN 0.069 nan 8.250 nan 0.000 0.430 246 P HA 0.119 nan 4.420 nan 0.000 0.274 246 P C -1.121 176.272 177.300 0.155 0.000 1.260 246 P CA -0.522 62.644 63.100 0.110 0.000 0.793 246 P CB 0.641 32.382 31.700 0.067 0.000 1.048 247 L N 0.235 121.533 121.223 0.125 0.000 2.401 247 L HA 0.566 4.906 4.340 -0.000 0.000 0.266 247 L C -1.423 175.487 176.870 0.066 0.000 0.991 247 L CA -1.043 53.876 54.840 0.131 0.000 0.818 247 L CB 1.694 43.825 42.059 0.120 0.000 1.321 247 L HN 0.177 nan 8.230 nan 0.000 0.413 248 L N 5.088 126.350 121.223 0.066 0.000 2.329 248 L HA 0.665 5.005 4.340 -0.000 0.000 0.279 248 L C -1.224 175.663 176.870 0.027 0.000 1.014 248 L CA -0.233 54.620 54.840 0.021 0.000 0.814 248 L CB 1.450 43.529 42.059 0.033 0.000 1.257 248 L HN 0.430 nan 8.230 nan 0.000 0.424 249 I N 6.799 127.366 120.570 -0.005 0.000 2.355 249 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 249 I C -0.397 175.734 176.117 0.024 0.000 0.999 249 I CA -0.279 61.028 61.300 0.011 0.000 1.163 249 I CB 1.217 39.220 38.000 0.004 0.000 1.316 249 I HN 0.534 nan 8.210 nan 0.000 0.454 250 I N 5.731 126.321 120.570 0.032 0.000 2.439 250 I HA 0.680 4.850 4.170 -0.000 0.000 0.283 250 I C -0.026 176.095 176.117 0.007 0.000 1.023 250 I CA -0.242 61.075 61.300 0.027 0.000 1.100 250 I CB 1.782 39.798 38.000 0.027 0.000 1.238 250 I HN 0.707 nan 8.210 nan 0.000 0.445 251 A N 4.338 127.163 122.820 0.008 0.000 2.588 251 A HA 0.423 4.743 4.320 -0.000 0.000 0.290 251 A C 0.614 178.203 177.584 0.009 0.000 1.136 251 A CA -0.540 51.500 52.037 0.006 0.000 0.681 251 A CB 1.395 20.405 19.000 0.016 0.000 1.282 251 A HN 0.712 nan 8.150 nan 0.000 0.421 252 E N -0.581 119.625 120.200 0.011 0.000 2.147 252 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 252 E C 0.110 176.728 176.600 0.030 0.000 1.005 252 E CA 2.102 58.514 56.400 0.020 0.000 0.810 252 E CB 0.073 29.787 29.700 0.023 0.000 0.736 252 E HN 0.637 nan 8.360 nan 0.000 0.460 253 D N -3.091 117.329 120.400 0.034 0.000 2.940 253 D HA 0.110 4.750 4.640 -0.000 0.000 0.304 253 D C -2.081 174.248 176.300 0.048 0.000 1.255 253 D CA -0.369 53.657 54.000 0.044 0.000 0.734 253 D CB 1.014 41.840 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.520 121.471 119.914 0.061 0.000 2.610 254 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 254 V C -0.563 175.574 176.094 0.071 0.000 1.067 254 V CA -0.686 61.655 62.300 0.067 0.000 0.894 254 V CB 1.596 33.470 31.823 0.085 0.000 1.015 254 V HN 0.443 nan 8.190 nan 0.000 0.432 255 E N 2.403 122.637 120.200 0.057 0.000 2.250 255 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 255 E C 1.420 178.050 176.600 0.050 0.000 1.018 255 E CA -0.139 56.292 56.400 0.052 0.000 0.873 255 E CB 1.644 31.367 29.700 0.040 0.000 1.134 255 E HN 0.777 nan 8.360 nan 0.000 0.403 256 G N 1.687 110.515 108.800 0.046 0.000 3.437 256 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G C 1.218 176.140 174.900 0.035 0.000 1.054 256 G CA 1.667 46.791 45.100 0.040 0.000 0.704 256 G HN 0.544 nan 8.290 nan 0.000 0.713 257 E N 0.711 120.931 120.200 0.034 0.000 2.002 257 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 257 E C 2.940 179.562 176.600 0.035 0.000 0.974 257 E CA 0.948 57.366 56.400 0.029 0.000 0.853 257 E CB -0.856 28.859 29.700 0.025 0.000 0.808 257 E HN 0.331 nan 8.360 nan 0.000 0.492 258 A N 1.011 123.855 122.820 0.041 0.000 2.234 258 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 258 A C 2.075 179.703 177.584 0.073 0.000 1.167 258 A CA 1.156 53.223 52.037 0.050 0.000 0.698 258 A CB -0.468 18.561 19.000 0.048 0.000 0.779 258 A HN 0.328 nan 8.150 nan 0.000 0.475 259 L N -0.606 120.663 121.223 0.077 0.000 2.056 259 L HA 0.207 4.547 4.340 -0.000 0.000 0.202 259 L C 2.515 179.432 176.870 0.078 0.000 1.086 259 L CA 2.109 57.014 54.840 0.108 0.000 0.758 259 L CB -1.005 41.118 42.059 0.105 0.000 0.912 259 L HN 0.224 nan 8.230 nan 0.000 0.446 260 A N -1.655 121.191 122.820 0.044 0.000 2.234 260 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 260 A C 2.059 179.640 177.584 -0.004 0.000 1.167 260 A CA 1.892 53.934 52.037 0.009 0.000 0.698 260 A CB -1.070 17.933 19.000 0.006 0.000 0.779 260 A HN 0.599 nan 8.150 nan 0.000 0.475 261 T N -0.082 114.484 114.554 0.021 0.000 2.814 261 T HA 0.051 4.401 4.350 -0.000 0.000 0.254 261 T C 1.758 176.474 174.700 0.026 0.000 1.037 261 T CA 1.181 63.292 62.100 0.018 0.000 1.143 261 T CB -0.242 68.644 68.868 0.030 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.104 122.369 121.223 0.069 0.000 2.156 262 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 262 L C 2.533 179.438 176.870 0.059 0.000 1.095 262 L CA 0.597 55.506 54.840 0.115 0.000 0.770 262 L CB -0.723 41.471 42.059 0.224 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.424 119.466 119.914 -0.040 0.000 2.688 263 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 263 V C 2.139 178.108 176.094 -0.209 0.000 1.084 263 V CA 1.312 63.464 62.300 -0.247 0.000 1.103 263 V CB -0.176 31.521 31.823 -0.210 0.000 0.688 263 V HN 0.269 nan 8.190 nan 0.000 0.480 264 V N -1.012 118.832 119.914 -0.117 0.000 3.048 264 V HA -0.011 4.109 4.120 -0.000 0.000 0.241 264 V C 1.908 177.965 176.094 -0.061 0.000 1.129 264 V CA 1.094 63.327 62.300 -0.113 0.000 1.128 264 V CB -0.472 31.295 31.823 -0.092 0.000 0.849 264 V HN 0.498 nan 8.190 nan 0.000 0.475 265 N N 0.972 119.659 118.700 -0.020 0.000 2.084 265 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 265 N C 1.779 177.299 175.510 0.017 0.000 1.030 265 N CA 1.889 54.941 53.050 0.004 0.000 0.849 265 N CB -0.034 38.468 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.667 112.911 114.554 0.040 0.000 3.194 266 T HA 0.073 4.423 4.350 -0.000 0.000 0.251 266 T C 1.403 176.119 174.700 0.026 0.000 1.132 266 T CA 0.118 62.256 62.100 0.063 0.000 1.028 266 T CB 0.108 69.061 68.868 0.141 0.000 0.976 266 T HN 0.030 nan 8.240 nan 0.000 0.535 267 M N 0.659 120.245 119.600 -0.023 0.000 2.447 267 M HA 0.393 4.873 4.480 -0.000 0.000 0.266 267 M C 2.155 178.432 176.300 -0.039 0.000 1.120 267 M CA 1.045 56.309 55.300 -0.059 0.000 1.166 267 M CB 0.115 32.636 32.600 -0.132 0.000 1.349 267 M HN 0.061 nan 8.290 nan 0.000 0.463 268 R N -0.538 119.945 120.500 -0.029 0.000 2.276 268 R HA 0.294 4.634 4.340 -0.000 0.000 0.196 268 R C 0.872 177.170 176.300 -0.004 0.000 0.961 268 R CA 0.714 56.802 56.100 -0.020 0.000 1.024 268 R CB 0.092 30.380 30.300 -0.020 0.000 0.940 268 R HN 0.599 nan 8.270 nan 0.000 0.480 269 G N 1.118 109.922 108.800 0.007 0.000 2.148 269 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G C 0.114 175.028 174.900 0.023 0.000 0.993 269 G CA -0.538 44.573 45.100 0.018 0.000 0.661 269 G HN 0.208 nan 8.290 nan 0.000 0.518 270 I N 1.908 122.491 120.570 0.022 0.000 2.256 270 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 270 I C 0.817 176.957 176.117 0.039 0.000 1.127 270 I CA -0.785 60.530 61.300 0.025 0.000 1.247 270 I CB 0.635 38.646 38.000 0.017 0.000 1.460 270 I HN 0.097 nan 8.210 nan 0.000 0.511 271 V N 4.678 124.619 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.184 176.324 176.094 0.076 0.000 0.682 271 V CA 0.430 62.766 62.300 0.060 0.000 1.959 271 V CB -1.498 30.358 31.823 0.056 0.000 2.372 271 V HN 0.756 nan 8.190 nan 0.000 0.501 272 K N 3.986 124.436 120.400 0.083 0.000 2.368 272 K HA 0.693 5.013 4.320 -0.000 0.000 0.282 272 K C -0.169 176.499 176.600 0.114 0.000 1.035 272 K CA -0.124 56.226 56.287 0.105 0.000 0.973 272 K CB 1.338 33.894 32.500 0.094 0.000 0.957 272 K HN 0.528 nan 8.250 nan 0.000 0.474 273 V N 0.630 120.636 119.914 0.154 0.000 3.159 273 V HA 0.869 4.989 4.120 -0.000 0.000 0.308 273 V C -1.149 174.969 176.094 0.042 0.000 1.190 273 V CA -1.062 61.302 62.300 0.106 0.000 1.037 273 V CB 2.244 34.133 31.823 0.110 0.000 1.060 273 V HN 0.822 nan 8.190 nan 0.000 0.437 274 A N 1.302 123.990 122.820 -0.221 0.000 2.594 274 A HA 1.037 5.357 4.320 -0.000 0.000 0.295 274 A C -0.912 176.373 177.584 -0.500 0.000 1.071 274 A CA -0.047 51.500 52.037 -0.817 0.000 0.685 274 A CB 1.955 20.599 19.000 -0.593 0.000 1.285 274 A HN 1.953 nan 8.150 nan 0.000 0.405 275 A N 0.182 122.648 122.820 -0.591 0.000 2.498 275 A HA 0.933 5.253 4.320 -0.000 0.000 0.298 275 A C -0.660 176.875 177.584 -0.082 0.000 1.075 275 A CA -0.094 51.829 52.037 -0.190 0.000 0.714 275 A CB 1.572 20.536 19.000 -0.060 0.000 1.299 275 A HN 2.368 nan 8.150 nan 0.000 0.407 276 V N -1.396 118.529 119.914 0.018 0.000 3.048 276 V HA 0.553 4.673 4.120 -0.000 0.000 0.303 276 V C -0.610 175.539 176.094 0.092 0.000 1.214 276 V CA -1.340 61.010 62.300 0.083 0.000 0.984 276 V CB 1.318 33.219 31.823 0.129 0.000 1.054 276 V HN 0.911 nan 8.190 nan 0.000 0.430 277 K N 2.207 122.661 120.400 0.091 0.000 2.469 277 K HA 0.502 4.822 4.320 -0.000 0.000 0.274 277 K C 0.802 177.419 176.600 0.029 0.000 0.983 277 K CA 0.529 56.853 56.287 0.062 0.000 0.974 277 K CB 0.754 33.292 32.500 0.064 0.000 0.913 277 K HN 1.151 nan 8.250 nan 0.000 0.493 278 A N 4.279 127.085 122.820 -0.024 0.000 2.364 278 A HA 0.175 4.495 4.320 -0.000 0.000 0.258 278 A C -2.021 175.463 177.584 -0.167 0.000 1.131 278 A CA -0.735 51.225 52.037 -0.127 0.000 0.800 278 A CB -0.496 18.449 19.000 -0.092 0.000 1.086 278 A HN 0.547 nan 8.150 nan 0.000 0.508 279 P HA 0.404 nan 4.420 nan 0.000 0.284 279 P C 0.693 177.959 177.300 -0.058 0.000 1.253 279 P CA 1.104 64.066 63.100 -0.229 0.000 0.800 279 P CB 0.872 32.334 31.700 -0.396 0.000 0.961 280 G N 2.847 111.674 108.800 0.045 0.000 2.581 280 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G C -0.511 174.550 174.900 0.268 0.000 1.277 280 G CA 0.737 45.932 45.100 0.159 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.426 116.523 119.950 -0.002 0.000 2.831 281 F HA 0.727 5.254 4.527 0.000 0.000 0.318 281 F C 0.928 176.734 175.800 0.010 0.000 1.174 281 F CA 0.383 58.385 58.000 0.003 0.000 0.918 281 F CB 0.715 39.723 39.000 0.013 0.000 1.364 281 F HN 2.445 nan 8.300 nan 0.000 0.475 282 G N 0.986 109.797 108.800 0.020 0.000 2.527 282 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G C 0.154 174.998 174.900 -0.093 0.000 1.175 282 G CA 0.503 45.548 45.100 -0.092 0.000 0.962 282 G HN 0.907 nan 8.290 nan 0.000 0.560 283 D N 0.975 121.303 120.400 -0.121 0.000 2.271 283 D HA -0.009 4.631 4.640 -0.000 0.000 0.206 283 D C 2.534 178.776 176.300 -0.097 0.000 0.967 283 D CA 1.170 55.121 54.000 -0.081 0.000 0.867 283 D CB -0.017 40.747 40.800 -0.060 0.000 0.960 283 D HN 0.635 nan 8.370 nan 0.000 0.509 284 R N 1.136 121.547 120.500 -0.148 0.000 2.276 284 R HA 0.067 4.407 4.340 -0.000 0.000 0.203 284 R C 2.093 178.322 176.300 -0.119 0.000 1.017 284 R CA 0.354 56.373 56.100 -0.135 0.000 1.010 284 R CB -0.234 29.965 30.300 -0.168 0.000 0.900 284 R HN 0.004 nan 8.270 nan 0.000 0.469 285 R N 2.122 122.553 120.500 -0.115 0.000 2.066 285 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 285 R C 1.237 177.496 176.300 -0.069 0.000 1.131 285 R CA 1.540 57.594 56.100 -0.077 0.000 0.955 285 R CB -0.049 30.232 30.300 -0.031 0.000 0.851 285 R HN 0.222 nan 8.270 nan 0.000 0.432 286 K N -0.096 120.271 120.400 -0.055 0.000 2.442 286 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 286 K C 1.688 178.259 176.600 -0.049 0.000 1.042 286 K CA 0.901 57.162 56.287 -0.044 0.000 0.958 286 K CB 0.176 32.656 32.500 -0.032 0.000 0.766 286 K HN 0.271 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 0.061 4.381 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 0.257 52.261 52.037 -0.055 0.000 0.660 287 A CB -0.216 18.750 19.000 -0.057 0.000 0.910 287 A HN 0.048 nan 8.150 nan 0.000 0.465 288 M N -0.361 119.192 119.600 -0.078 0.000 2.082 288 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 288 M C 2.254 178.493 176.300 -0.102 0.000 1.069 288 M CA 1.864 57.110 55.300 -0.090 0.000 1.102 288 M CB -0.502 32.029 32.600 -0.114 0.000 1.336 288 M HN 0.533 nan 8.290 nan 0.000 0.404 289 L N 0.205 121.361 121.223 -0.111 0.000 2.129 289 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 289 L C 2.486 179.317 176.870 -0.065 0.000 1.087 289 L CA 1.574 56.349 54.840 -0.109 0.000 0.757 289 L CB -0.262 41.742 42.059 -0.092 0.000 0.896 289 L HN 0.319 nan 8.230 nan 0.000 0.434 290 Q N 0.030 119.800 119.800 -0.051 0.000 2.167 290 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 290 Q C 1.669 177.654 176.000 -0.025 0.000 0.970 290 Q CA 1.991 57.775 55.803 -0.032 0.000 0.855 290 Q CB -0.173 28.548 28.738 -0.028 0.000 0.911 290 Q HN 0.545 nan 8.270 nan 0.000 0.438 291 D N 0.168 120.550 120.400 -0.030 0.000 2.084 291 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 291 D C 1.894 178.191 176.300 -0.005 0.000 0.990 291 D CA 1.396 55.386 54.000 -0.017 0.000 0.826 291 D CB -0.276 40.514 40.800 -0.018 0.000 0.971 291 D HN 0.359 nan 8.370 nan 0.000 0.453 292 I N 1.352 121.915 120.570 -0.011 0.000 2.300 292 I HA -0.317 3.853 4.170 -0.000 0.000 0.252 292 I C 2.446 178.574 176.117 0.019 0.000 1.119 292 I CA 1.051 62.359 61.300 0.014 0.000 1.384 292 I CB -0.202 37.795 38.000 -0.005 0.000 1.062 292 I HN -0.058 nan 8.210 nan 0.000 0.426 293 A N 0.445 123.268 122.820 0.005 0.000 1.841 293 A HA -0.185 4.135 4.320 -0.000 0.000 0.214 293 A C 2.377 179.970 177.584 0.015 0.000 1.195 293 A CA 2.349 54.393 52.037 0.012 0.000 0.611 293 A CB -1.111 17.891 19.000 0.003 0.000 0.835 293 A HN 0.364 nan 8.150 nan 0.000 0.443 294 T N 0.736 115.295 114.554 0.008 0.000 2.720 294 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 294 T C 1.826 176.534 174.700 0.013 0.000 1.037 294 T CA 1.298 63.404 62.100 0.009 0.000 1.144 294 T CB -0.356 68.514 68.868 0.003 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.162 123.395 121.223 0.016 0.000 2.131 295 L HA -0.052 4.287 4.340 -0.000 0.000 0.210 295 L C 1.840 178.724 176.870 0.023 0.000 1.092 295 L CA 2.162 57.014 54.840 0.020 0.000 0.759 295 L CB -1.237 40.839 42.059 0.028 0.000 0.903 295 L HN 0.460 nan 8.230 nan 0.000 0.435 296 T N -3.811 110.760 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 -0.000 0.000 0.271 296 T C 1.034 175.755 174.700 0.036 0.000 1.005 296 T CA 0.128 62.248 62.100 0.032 0.000 0.902 296 T CB -0.310 68.584 68.868 0.044 0.000 1.102 296 T HN 0.515 nan 8.240 nan 0.000 0.548 297 G N 0.204 109.022 108.800 0.029 0.000 2.386 297 G HA2 0.139 4.099 3.960 -0.000 0.000 0.295 297 G HA3 0.139 4.099 3.960 -0.000 0.000 0.295 297 G C 0.380 175.305 174.900 0.042 0.000 0.979 297 G CA 0.005 45.124 45.100 0.032 0.000 1.193 297 G HN 1.138 nan 8.290 nan 0.000 0.508 298 G N -1.544 107.278 108.800 0.036 0.000 3.135 298 G HA2 0.923 4.883 3.960 -0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 -0.000 0.000 0.278 298 G C -0.662 174.251 174.900 0.023 0.000 1.302 298 G CA 0.300 45.423 45.100 0.038 0.000 0.880 298 G HN 0.836 nan 8.290 nan 0.000 0.574 299 T N -0.435 114.130 114.554 0.018 0.000 2.916 299 T HA 0.521 4.871 4.350 -0.000 0.000 0.305 299 T C -0.621 174.082 174.700 0.005 0.000 1.119 299 T CA -0.364 61.741 62.100 0.009 0.000 1.008 299 T CB 1.965 70.837 68.868 0.006 0.000 1.129 299 T HN 0.422 nan 8.240 nan 0.000 0.480 300 V N 2.887 122.801 119.914 -0.001 0.000 2.583 300 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 300 V C 0.015 176.106 176.094 -0.004 0.000 1.051 300 V CA -0.440 61.857 62.300 -0.005 0.000 1.010 300 V CB 0.684 32.501 31.823 -0.010 0.000 0.988 300 V HN 0.725 nan 8.190 nan 0.000 0.478 301 I N 5.026 125.594 120.570 -0.004 0.000 2.412 301 I HA 0.329 4.499 4.170 -0.000 0.000 0.279 301 I C 0.296 176.412 176.117 -0.003 0.000 1.063 301 I CA 0.062 61.361 61.300 -0.003 0.000 1.193 301 I CB 0.928 38.927 38.000 -0.002 0.000 1.370 301 I HN 0.726 nan 8.210 nan 0.000 0.479 302 S N 2.705 118.404 115.700 -0.003 0.000 2.621 302 S HA 0.455 4.925 4.470 -0.000 0.000 0.302 302 S C 0.452 175.052 174.600 -0.001 0.000 1.093 302 S CA -0.828 57.370 58.200 -0.002 0.000 1.017 302 S CB 2.157 65.354 63.200 -0.004 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.331 120.531 120.200 0.001 0.000 2.442 303 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 303 E C 1.063 177.664 176.600 0.001 0.000 1.030 303 E CA 0.313 56.714 56.400 0.002 0.000 0.869 303 E CB -0.023 29.680 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.451 120.651 120.200 0.000 0.000 2.338 304 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 304 E C 1.415 178.014 176.600 -0.001 0.000 1.007 304 E CA 0.686 57.086 56.400 -0.000 0.000 0.849 304 E CB 0.153 29.852 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.947 119.622 120.570 -0.001 0.000 4.154 305 I HA 0.193 4.363 4.170 -0.000 0.000 0.334 305 I C 0.882 176.999 176.117 -0.001 0.000 1.371 305 I CA 0.029 61.328 61.300 -0.002 0.000 1.110 305 I CB 1.005 39.003 38.000 -0.003 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.157 110.957 108.800 -0.001 0.000 2.165 306 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.226 306 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.226 306 G C -0.016 174.884 174.900 -0.001 0.000 1.035 306 G CA -0.346 44.754 45.100 -0.000 0.000 0.744 306 G HN 0.237 nan 8.290 nan 0.000 0.501 307 M N 0.296 119.896 119.600 -0.001 0.000 2.300 307 M HA 0.521 5.001 4.480 -0.000 0.000 0.348 307 M C 0.212 176.511 176.300 -0.001 0.000 1.151 307 M CA -0.222 55.077 55.300 -0.002 0.000 1.046 307 M CB 1.475 34.073 32.600 -0.002 0.000 1.647 307 M HN 0.219 nan 8.290 nan 0.000 0.451 308 E N 2.046 122.244 120.200 -0.002 0.000 2.227 308 E HA 0.328 4.678 4.350 -0.000 0.000 0.268 308 E C 0.206 176.804 176.600 -0.003 0.000 0.907 308 E CA -0.560 55.839 56.400 -0.002 0.000 0.786 308 E CB 2.227 31.926 29.700 -0.002 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.606 122.828 121.223 -0.002 0.000 2.456 309 L HA -0.139 4.201 4.340 -0.000 0.000 0.224 309 L C 1.433 178.298 176.870 -0.008 0.000 1.148 309 L CA 0.885 55.723 54.840 -0.004 0.000 0.825 309 L CB -0.198 41.861 42.059 0.000 0.000 0.937 309 L HN 0.519 nan 8.230 nan 0.000 0.450 310 E N 0.365 120.561 120.200 -0.007 0.000 2.158 310 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 310 E C 0.643 177.236 176.600 -0.012 0.000 0.982 310 E CA 0.804 57.199 56.400 -0.009 0.000 0.823 310 E CB 0.128 29.824 29.700 -0.005 0.000 0.766 310 E HN 0.259 nan 8.360 nan 0.000 0.468 311 K N 0.722 121.116 120.400 -0.011 0.000 2.765 311 K HA 0.523 4.843 4.320 -0.000 0.000 0.246 311 K C -0.920 175.671 176.600 -0.015 0.000 1.254 311 K CA -0.234 56.046 56.287 -0.012 0.000 1.219 311 K CB 0.957 33.452 32.500 -0.008 0.000 1.747 311 K HN -0.053 nan 8.250 nan 0.000 0.372 312 A N 1.123 123.930 122.820 -0.022 0.000 2.442 312 A HA 0.349 4.669 4.320 -0.000 0.000 0.284 312 A C 0.223 177.780 177.584 -0.043 0.000 1.058 312 A CA -0.760 51.261 52.037 -0.028 0.000 0.738 312 A CB 0.726 19.710 19.000 -0.025 0.000 1.242 312 A HN 0.375 nan 8.150 nan 0.000 0.421 313 T N 0.070 114.596 114.554 -0.046 0.000 3.018 313 T HA 0.477 4.827 4.350 -0.000 0.000 0.338 313 T C 1.079 175.717 174.700 -0.104 0.000 1.208 313 T CA -0.156 61.905 62.100 -0.065 0.000 0.963 313 T CB 0.034 68.874 68.868 -0.046 0.000 1.697 313 T HN 0.381 nan 8.240 nan 0.000 0.560 314 L N -0.010 121.133 121.223 -0.132 0.000 2.567 314 L HA 0.269 4.609 4.340 -0.000 0.000 0.225 314 L C 2.752 179.564 176.870 -0.096 0.000 1.119 314 L CA 0.498 55.201 54.840 -0.228 0.000 0.871 314 L CB -0.360 41.514 42.059 -0.308 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.516 120.694 120.200 -0.037 0.000 2.170 315 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 315 E C 0.953 177.564 176.600 0.017 0.000 0.981 315 E CA 0.724 57.130 56.400 0.010 0.000 0.830 315 E CB 0.339 30.043 29.700 0.006 0.000 0.775 315 E HN 0.392 nan 8.360 nan 0.000 0.470 316 D N 0.388 120.786 120.400 -0.003 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.199 176.110 176.300 0.016 0.000 1.020 316 D CA 0.310 54.312 54.000 0.004 0.000 0.892 316 D CB 0.241 41.037 40.800 -0.007 0.000 0.900 316 D HN 0.118 nan 8.370 nan 0.000 0.531 317 L N 0.352 121.591 121.223 0.027 0.000 2.357 317 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 317 L C 1.297 178.248 176.870 0.135 0.000 1.080 317 L CA -0.505 54.376 54.840 0.069 0.000 0.803 317 L CB 1.394 43.477 42.059 0.041 0.000 1.174 317 L HN -0.175 nan 8.230 nan 0.000 0.443 318 G N 1.076 109.953 108.800 0.127 0.000 2.599 318 G HA2 0.483 4.443 3.960 -0.000 0.000 0.264 318 G HA3 0.483 4.443 3.960 -0.000 0.000 0.264 318 G C -0.996 173.992 174.900 0.147 0.000 1.200 318 G CA -0.170 44.997 45.100 0.112 0.000 0.896 318 G HN 0.600 nan 8.290 nan 0.000 0.536 319 Q N -1.012 118.832 119.800 0.074 0.000 2.378 319 Q HA 0.551 4.891 4.340 -0.000 0.000 0.262 319 Q C -1.123 174.859 176.000 -0.031 0.000 0.978 319 Q CA -0.719 55.083 55.803 -0.002 0.000 0.918 319 Q CB 1.811 30.528 28.738 -0.036 0.000 1.415 319 Q HN 0.975 nan 8.270 nan 0.000 0.409 320 A N 2.579 125.362 122.820 -0.060 0.000 2.524 320 A HA 0.599 4.919 4.320 -0.000 0.000 0.286 320 A C -0.816 176.726 177.584 -0.071 0.000 1.203 320 A CA -0.647 51.361 52.037 -0.047 0.000 0.736 320 A CB 1.598 20.585 19.000 -0.022 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.514 119.855 120.400 -0.052 0.000 2.387 321 K HA 0.309 4.629 4.320 -0.000 0.000 0.198 321 K C -0.021 176.552 176.600 -0.044 0.000 1.022 321 K CA 0.344 56.598 56.287 -0.054 0.000 1.128 321 K CB 0.344 32.820 32.500 -0.041 0.000 0.853 321 K HN 0.514 nan 8.250 nan 0.000 0.523 322 R N -0.018 120.458 120.500 -0.040 0.000 4.584 322 R HA 0.037 4.377 4.340 -0.000 0.000 0.251 322 R C -2.182 174.101 176.300 -0.029 0.000 0.957 322 R CA -0.478 55.603 56.100 -0.032 0.000 1.195 322 R CB 0.746 31.030 30.300 -0.026 0.000 1.233 322 R HN -0.012 nan 8.270 nan 0.000 0.630 323 V N 0.241 120.139 119.914 -0.027 0.000 2.932 323 V HA 0.887 5.007 4.120 -0.000 0.000 0.307 323 V C -1.235 174.839 176.094 -0.032 0.000 1.147 323 V CA -0.719 61.560 62.300 -0.035 0.000 0.951 323 V CB 2.206 34.011 31.823 -0.030 0.000 1.031 323 V HN 0.424 nan 8.190 nan 0.000 0.426 324 V N 4.569 124.453 119.914 -0.051 0.000 2.914 324 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 324 V C -0.368 175.689 176.094 -0.063 0.000 1.084 324 V CA -0.501 61.776 62.300 -0.037 0.000 0.963 324 V CB 1.975 33.778 31.823 -0.034 0.000 1.025 324 V HN 1.077 nan 8.190 nan 0.000 0.432 325 I N 0.194 120.751 120.570 -0.023 0.000 2.576 325 I HA 0.508 4.678 4.170 -0.000 0.000 0.279 325 I C -0.117 175.993 176.117 -0.011 0.000 1.114 325 I CA -0.580 60.695 61.300 -0.041 0.000 1.076 325 I CB 1.186 39.180 38.000 -0.010 0.000 1.212 325 I HN 0.434 nan 8.210 nan 0.000 0.472 326 N N 4.602 123.248 118.700 -0.089 0.000 2.255 326 N HA 0.014 4.754 4.740 -0.000 0.000 0.260 326 N C 1.046 176.293 175.510 -0.438 0.000 1.288 326 N CA -0.069 52.907 53.050 -0.123 0.000 0.894 326 N CB 0.747 39.174 38.487 -0.100 0.000 1.033 326 N HN 0.678 nan 8.380 nan 0.000 0.477 327 K N 0.367 120.499 120.400 -0.447 0.000 2.097 327 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 327 K C -0.311 175.925 176.600 -0.607 0.000 1.050 327 K CA 1.806 57.636 56.287 -0.762 0.000 0.938 327 K CB 0.002 32.357 32.500 -0.242 0.000 0.718 327 K HN 0.608 nan 8.250 nan 0.000 0.442 328 D N -1.078 119.130 120.400 -0.319 0.000 2.822 328 D HA 0.105 4.745 4.640 -0.000 0.000 0.327 328 D C -1.141 175.084 176.300 -0.124 0.000 1.577 328 D CA -0.486 53.404 54.000 -0.185 0.000 0.785 328 D CB 0.883 41.622 40.800 -0.102 0.000 1.199 328 D HN -0.157 nan 8.370 nan 0.000 0.443 329 T N -0.143 114.314 114.554 -0.161 0.000 3.293 329 T HA 0.461 4.811 4.350 -0.000 0.000 0.320 329 T C -0.433 174.139 174.700 -0.213 0.000 0.995 329 T CA -0.459 61.552 62.100 -0.149 0.000 1.041 329 T CB 1.940 70.740 68.868 -0.112 0.000 1.058 329 T HN -0.051 nan 8.240 nan 0.000 0.453 330 T N 1.745 116.086 114.554 -0.356 0.000 2.884 330 T HA 0.822 5.172 4.350 -0.000 0.000 0.277 330 T C -0.065 174.318 174.700 -0.528 0.000 0.976 330 T CA -0.574 61.227 62.100 -0.498 0.000 0.956 330 T CB 1.491 69.845 68.868 -0.857 0.000 1.113 330 T HN 0.721 nan 8.240 nan 0.000 0.554 331 T N 0.873 115.160 114.554 -0.446 0.000 4.242 331 T HA 0.316 4.666 4.350 -0.000 0.000 0.422 331 T C -1.597 173.000 174.700 -0.171 0.000 1.136 331 T CA -0.596 61.328 62.100 -0.293 0.000 1.071 331 T CB -0.183 68.574 68.868 -0.185 0.000 1.260 331 T HN 0.454 nan 8.240 nan 0.000 0.453 332 I N 5.780 126.281 120.570 -0.116 0.000 2.353 332 I HA 0.517 4.686 4.170 -0.000 0.000 0.293 332 I C 0.001 176.100 176.117 -0.029 0.000 0.992 332 I CA -0.955 60.321 61.300 -0.040 0.000 1.268 332 I CB 1.434 39.448 38.000 0.024 0.000 1.387 332 I HN 0.566 nan 8.210 nan 0.000 0.478 333 I N 5.433 125.988 120.570 -0.026 0.000 2.389 333 I HA 0.216 4.386 4.170 -0.000 0.000 0.288 333 I C -0.666 175.440 176.117 -0.018 0.000 0.999 333 I CA -0.521 60.765 61.300 -0.023 0.000 1.129 333 I CB 1.415 39.399 38.000 -0.028 0.000 1.288 333 I HN 0.611 nan 8.210 nan 0.000 0.444 334 D N 4.661 125.053 120.400 -0.013 0.000 4.867 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.238 334 D C -0.215 176.078 176.300 -0.012 0.000 1.114 334 D CA 1.188 55.181 54.000 -0.012 0.000 1.283 334 D CB 0.177 40.967 40.800 -0.016 0.000 0.739 334 D HN 0.813 nan 8.370 nan 0.000 0.371 335 G N 1.628 110.426 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.178 176.077 174.900 -0.001 0.000 1.177 335 G CA -0.418 44.682 45.100 -0.001 0.000 0.951 335 G HN 0.457 nan 8.290 nan 0.000 0.485 336 V N 1.193 121.107 119.914 -0.000 0.000 2.720 336 V HA -0.008 4.112 4.120 -0.000 0.000 0.256 336 V C 2.169 178.268 176.094 0.008 0.000 1.082 336 V CA 1.111 63.413 62.300 0.002 0.000 1.101 336 V CB -1.267 30.561 31.823 0.008 0.000 0.693 336 V HN 0.845 nan 8.190 nan 0.000 0.479 337 G N 1.224 110.031 108.800 0.011 0.000 2.187 337 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.239 337 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.239 337 G C -0.067 174.838 174.900 0.007 0.000 1.200 337 G CA -0.091 45.015 45.100 0.011 0.000 0.888 337 G HN 0.582 nan 8.290 nan 0.000 0.482 338 E N 1.867 122.072 120.200 0.007 0.000 2.354 338 E HA 0.064 4.414 4.350 -0.000 0.000 0.269 338 E C 0.669 177.271 176.600 0.004 0.000 1.036 338 E CA -0.222 56.182 56.400 0.005 0.000 0.876 338 E CB 1.329 31.032 29.700 0.006 0.000 1.009 338 E HN 0.654 nan 8.360 nan 0.000 0.416 339 E N 1.379 121.580 120.200 0.002 0.000 2.527 339 E HA -0.163 4.187 4.350 -0.000 0.000 0.204 339 E C 0.959 177.560 176.600 0.001 0.000 1.132 339 E CA 0.214 56.615 56.400 0.001 0.000 0.905 339 E CB -0.005 29.695 29.700 0.000 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.186 124.007 122.820 0.002 0.000 1.884 340 A HA 0.234 4.554 4.320 -0.000 0.000 0.212 340 A C 2.290 179.875 177.584 0.001 0.000 1.265 340 A CA 0.737 52.775 52.037 0.001 0.000 0.626 340 A CB -0.413 18.588 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.478 122.344 122.820 0.002 0.000 2.121 341 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 341 A C 1.955 179.539 177.584 0.001 0.000 1.154 341 A CA 1.171 53.209 52.037 0.002 0.000 0.679 341 A CB -0.561 18.442 19.000 0.003 0.000 0.795 341 A HN 0.493 nan 8.150 nan 0.000 0.458 342 I N -1.629 118.942 120.570 0.002 0.000 2.339 342 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 342 I C 2.542 178.659 176.117 -0.001 0.000 1.096 342 I CA 1.172 62.473 61.300 0.001 0.000 1.408 342 I CB -0.160 37.842 38.000 0.003 0.000 1.092 342 I HN 0.295 nan 8.210 nan 0.000 0.423 343 Q N 1.258 121.057 119.800 -0.001 0.000 2.364 343 Q HA -0.070 4.270 4.340 -0.000 0.000 0.207 343 Q C 1.862 177.861 176.000 -0.003 0.000 0.970 343 Q CA 1.557 57.359 55.803 -0.002 0.000 0.888 343 Q CB -0.295 28.442 28.738 -0.002 0.000 0.951 343 Q HN 0.471 nan 8.270 nan 0.000 0.469 344 G N -0.579 108.220 108.800 -0.002 0.000 2.459 344 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.213 344 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.213 344 G C 1.521 176.418 174.900 -0.005 0.000 1.155 344 G CA 0.394 45.492 45.100 -0.003 0.000 0.811 344 G HN 0.280 nan 8.290 nan 0.000 0.534 345 R N 0.514 121.012 120.500 -0.005 0.000 2.115 345 R HA 0.039 4.379 4.340 -0.000 0.000 0.230 345 R C 2.364 178.659 176.300 -0.008 0.000 1.111 345 R CA 1.207 57.303 56.100 -0.007 0.000 0.976 345 R CB -0.698 29.599 30.300 -0.006 0.000 0.870 345 R HN 0.204 nan 8.270 nan 0.000 0.445 346 V N 0.577 120.487 119.914 -0.007 0.000 2.427 346 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 346 V C 2.320 178.408 176.094 -0.009 0.000 1.051 346 V CA 1.775 64.070 62.300 -0.008 0.000 1.048 346 V CB -0.843 30.976 31.823 -0.006 0.000 0.666 346 V HN 0.509 nan 8.190 nan 0.000 0.456 347 A N -0.722 122.094 122.820 -0.007 0.000 1.933 347 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 347 A C 2.190 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.780 53.812 52.037 -0.007 0.000 0.628 347 A CB -0.420 18.577 19.000 -0.006 0.000 0.814 347 A HN 0.621 nan 8.150 nan 0.000 0.444 348 Q N -0.627 119.168 119.800 -0.009 0.000 2.119 348 Q HA -0.047 4.293 4.340 -0.000 0.000 0.201 348 Q C 1.915 177.907 176.000 -0.014 0.000 0.972 348 Q CA 1.456 57.253 55.803 -0.011 0.000 0.847 348 Q CB -0.240 28.491 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.156 120.405 120.570 -0.015 0.000 2.617 349 I HA -0.153 4.017 4.170 -0.000 0.000 0.256 349 I C 2.370 178.476 176.117 -0.018 0.000 1.167 349 I CA 0.500 61.789 61.300 -0.019 0.000 1.469 349 I CB -0.104 37.883 38.000 -0.021 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.899 121.391 120.500 -0.014 0.000 2.152 350 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 350 R C 2.201 178.494 176.300 -0.012 0.000 1.117 350 R CA 1.315 57.407 56.100 -0.013 0.000 0.981 350 R CB 0.021 30.315 30.300 -0.010 0.000 0.870 350 R HN 0.402 nan 8.270 nan 0.000 0.451 351 Q N -0.861 118.932 119.800 -0.012 0.000 2.250 351 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 351 Q C 1.745 177.738 176.000 -0.012 0.000 0.941 351 Q CA 0.502 56.298 55.803 -0.011 0.000 0.872 351 Q CB 0.401 29.133 28.738 -0.009 0.000 0.965 351 Q HN 0.373 nan 8.270 nan 0.000 0.480 352 Q N 0.389 120.180 119.800 -0.015 0.000 2.248 352 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 352 Q C 1.910 177.900 176.000 -0.018 0.000 0.984 352 Q CA 1.113 56.906 55.803 -0.018 0.000 0.875 352 Q CB -0.146 28.578 28.738 -0.023 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.720 121.279 120.570 -0.018 0.000 2.617 353 I HA -0.174 3.996 4.170 -0.000 0.000 0.256 353 I C 1.989 178.100 176.117 -0.011 0.000 1.167 353 I CA 0.609 61.899 61.300 -0.017 0.000 1.469 353 I CB -0.184 37.805 38.000 -0.018 0.000 1.098 353 I HN 0.072 nan 8.210 nan 0.000 0.436 354 E N 1.479 121.674 120.200 -0.010 0.000 2.072 354 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 354 E C 1.161 177.758 176.600 -0.005 0.000 0.982 354 E CA 1.013 57.409 56.400 -0.007 0.000 0.803 354 E CB -0.290 29.406 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.148 121.344 120.200 -0.006 0.000 2.301 355 E HA 0.254 4.604 4.350 -0.000 0.000 0.195 355 E C -0.247 176.351 176.600 -0.003 0.000 1.171 355 E CA -0.308 56.089 56.400 -0.004 0.000 1.142 355 E CB 0.232 29.929 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.235 124.053 122.820 -0.003 0.000 2.409 356 A HA 0.150 4.470 4.320 -0.000 0.000 0.267 356 A C 1.255 178.842 177.584 0.005 0.000 1.127 356 A CA -0.207 51.829 52.037 -0.001 0.000 0.795 356 A CB 0.153 19.151 19.000 -0.003 0.000 1.061 356 A HN 0.282 nan 8.150 nan 0.000 0.502 357 T N -0.904 113.656 114.554 0.010 0.000 3.001 357 T HA 0.362 4.712 4.350 -0.000 0.000 0.251 357 T C 0.651 175.363 174.700 0.021 0.000 1.040 357 T CA 0.591 62.699 62.100 0.013 0.000 0.985 357 T CB -0.049 68.826 68.868 0.012 0.000 1.011 357 T HN 0.781 nan 8.240 nan 0.000 0.509 358 S N -0.774 114.944 115.700 0.029 0.000 2.618 358 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 358 S C -0.401 174.231 174.600 0.053 0.000 1.138 358 S CA -0.579 57.648 58.200 0.046 0.000 0.844 358 S CB 1.693 64.933 63.200 0.067 0.000 1.127 358 S HN 0.060 nan 8.310 nan 0.000 0.474 359 D N 0.584 121.024 120.400 0.068 0.000 2.183 359 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 359 D C 1.204 177.563 176.300 0.097 0.000 0.969 359 D CA 1.111 55.151 54.000 0.067 0.000 0.842 359 D CB -0.125 40.715 40.800 0.065 0.000 0.957 359 D HN 0.577 nan 8.370 nan 0.000 0.484 360 Y N 2.164 122.461 120.300 -0.005 0.000 2.092 360 Y HA -0.192 4.358 4.550 0.000 0.000 0.282 360 Y C 1.680 177.572 175.900 -0.014 0.000 1.126 360 Y CA 1.747 59.843 58.100 -0.007 0.000 1.111 360 Y CB -0.471 37.985 38.460 -0.007 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.438 120.010 120.400 0.081 0.000 2.220 361 D HA -0.240 4.400 4.640 -0.000 0.000 0.198 361 D C 2.231 178.486 176.300 -0.076 0.000 1.001 361 D CA 1.712 55.699 54.000 -0.021 0.000 0.875 361 D CB -0.199 40.618 40.800 0.028 0.000 0.921 361 D HN 0.292 nan 8.370 nan 0.000 0.454 362 R N 0.389 120.859 120.500 -0.049 0.000 2.056 362 R HA -0.120 4.220 4.340 -0.000 0.000 0.227 362 R C 1.961 178.210 176.300 -0.086 0.000 1.149 362 R CA 1.096 57.166 56.100 -0.050 0.000 0.937 362 R CB 0.074 30.363 30.300 -0.020 0.000 0.835 362 R HN 0.061 nan 8.270 nan 0.000 0.430 363 E N 1.176 121.313 120.200 -0.105 0.000 2.045 363 E HA -0.251 4.099 4.350 -0.000 0.000 0.212 363 E C 1.667 178.169 176.600 -0.162 0.000 1.039 363 E CA 1.413 57.738 56.400 -0.125 0.000 0.860 363 E CB -0.338 29.274 29.700 -0.147 0.000 0.776 363 E HN 0.213 nan 8.360 nan 0.000 0.467 364 K N 0.606 120.842 120.400 -0.274 0.000 2.589 364 K HA -0.065 4.255 4.320 -0.000 0.000 0.195 364 K C 2.042 178.552 176.600 -0.150 0.000 1.042 364 K CA 0.490 56.630 56.287 -0.245 0.000 0.940 364 K CB -0.260 32.020 32.500 -0.366 0.000 0.776 364 K HN 0.269 nan 8.250 nan 0.000 0.487 365 L N -0.640 120.513 121.223 -0.117 0.000 2.425 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 365 L C 2.059 178.894 176.870 -0.057 0.000 1.065 365 L CA 0.252 55.045 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 0.097 nan 8.230 nan 0.000 0.474 366 Q N 0.101 119.867 119.800 -0.057 0.000 2.297 366 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 366 Q C 1.681 177.659 176.000 -0.036 0.000 0.962 366 Q CA 0.986 56.766 55.803 -0.040 0.000 0.879 366 Q CB 0.215 28.932 28.738 -0.035 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.515 120.687 120.200 -0.047 0.000 2.051 367 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 367 E C 2.018 178.602 176.600 -0.027 0.000 0.979 367 E CA 0.288 56.667 56.400 -0.036 0.000 0.803 367 E CB 0.108 29.780 29.700 -0.046 0.000 0.761 367 E HN 0.177 nan 8.360 nan 0.000 0.451 368 R N 0.714 121.191 120.500 -0.039 0.000 2.105 368 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 368 R C 2.561 178.850 176.300 -0.019 0.000 1.135 368 R CA 1.631 57.714 56.100 -0.030 0.000 0.967 368 R CB -0.375 29.899 30.300 -0.044 0.000 0.861 368 R HN 0.206 nan 8.270 nan 0.000 0.442 369 V N -2.478 117.424 119.914 -0.021 0.000 2.302 369 V HA -0.022 4.098 4.120 -0.000 0.000 0.243 369 V C 2.354 178.442 176.094 -0.009 0.000 1.036 369 V CA 1.440 63.731 62.300 -0.015 0.000 1.020 369 V CB -1.249 30.564 31.823 -0.017 0.000 0.657 369 V HN 0.210 nan 8.190 nan 0.000 0.453 370 A N 1.067 123.881 122.820 -0.010 0.000 1.859 370 A HA -0.325 3.995 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 2.947 54.980 52.037 -0.006 0.000 0.639 370 A CB -0.939 18.056 19.000 -0.008 0.000 0.835 370 A HN 0.627 nan 8.150 nan 0.000 0.450 371 K N -1.375 119.028 120.400 0.005 0.000 2.218 371 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 371 K C 1.720 178.330 176.600 0.017 0.000 1.046 371 K CA 1.419 57.716 56.287 0.016 0.000 0.933 371 K CB -0.243 32.278 32.500 0.034 0.000 0.728 371 K HN 0.405 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 0.117 4.457 4.340 -0.000 0.000 0.220 372 L C 1.707 178.580 176.870 0.004 0.000 1.106 372 L CA 0.777 55.623 54.840 0.010 0.000 0.851 372 L CB 0.248 42.310 42.059 0.005 0.000 0.994 372 L HN 0.028 nan 8.230 nan 0.000 0.462 373 A N -1.312 121.508 122.820 0.001 0.000 1.963 373 A HA 0.343 4.663 4.320 -0.000 0.000 0.207 373 A C 1.821 179.404 177.584 -0.002 0.000 1.243 373 A CA 0.520 52.556 52.037 -0.002 0.000 0.728 373 A CB -0.681 18.317 19.000 -0.004 0.000 0.895 373 A HN 0.319 nan 8.150 nan 0.000 0.467 374 G N 0.247 109.046 108.800 -0.003 0.000 3.474 374 G HA2 0.419 4.379 3.960 -0.000 0.000 0.269 374 G HA3 0.419 4.379 3.960 -0.000 0.000 0.269 374 G C 1.045 175.942 174.900 -0.005 0.000 1.339 374 G CA 0.616 45.714 45.100 -0.005 0.000 1.258 374 G HN 0.796 nan 8.290 nan 0.000 0.560 375 G N 0.179 108.977 108.800 -0.003 0.000 2.998 375 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.855 375 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.855 375 G C 0.131 175.025 174.900 -0.008 0.000 1.032 375 G CA 1.062 46.160 45.100 -0.003 0.000 0.804 375 G HN 0.956 nan 8.290 nan 0.000 0.970 376 V N -0.594 119.313 119.914 -0.012 0.000 2.971 376 V HA 0.706 4.826 4.120 -0.000 0.000 0.309 376 V C 0.388 176.471 176.094 -0.018 0.000 1.130 376 V CA -0.376 61.913 62.300 -0.018 0.000 0.964 376 V CB 1.675 33.485 31.823 -0.022 0.000 1.029 376 V HN 1.434 nan 8.190 nan 0.000 0.427 377 A N 2.678 125.485 122.820 -0.021 0.000 2.309 377 A HA 0.810 5.130 4.320 -0.000 0.000 0.298 377 A C -0.706 176.865 177.584 -0.021 0.000 1.165 377 A CA -0.451 51.574 52.037 -0.020 0.000 0.821 377 A CB 1.129 20.116 19.000 -0.021 0.000 1.102 377 A HN 0.791 nan 8.150 nan 0.000 0.500 378 V N 4.459 124.363 119.914 -0.017 0.000 2.443 378 V HA 0.316 4.436 4.120 -0.000 0.000 0.293 378 V C -0.556 175.531 176.094 -0.012 0.000 1.021 378 V CA -0.116 62.175 62.300 -0.015 0.000 0.848 378 V CB 1.282 33.096 31.823 -0.014 0.000 0.998 378 V HN 0.750 nan 8.190 nan 0.000 0.424 379 I N 5.576 126.140 120.570 -0.012 0.000 2.328 379 I HA 0.406 4.576 4.170 -0.000 0.000 0.287 379 I C 0.118 176.232 176.117 -0.006 0.000 1.012 379 I CA -0.538 60.758 61.300 -0.008 0.000 1.195 379 I CB 1.179 39.175 38.000 -0.008 0.000 1.350 379 I HN 0.443 nan 8.210 nan 0.000 0.464 380 K N 6.179 126.576 120.400 -0.005 0.000 2.266 380 K HA 0.366 4.686 4.320 -0.000 0.000 0.274 380 K C -0.284 176.316 176.600 -0.002 0.000 1.090 380 K CA -0.573 55.712 56.287 -0.003 0.000 0.925 380 K CB 1.226 33.724 32.500 -0.004 0.000 1.225 380 K HN 0.343 nan 8.250 nan 0.000 0.458 381 V N 2.452 122.366 119.914 0.000 0.000 3.083 381 V HA -0.136 3.984 4.120 -0.000 0.000 0.303 381 V C 1.662 177.756 176.094 0.001 0.000 1.151 381 V CA 0.508 62.809 62.300 0.002 0.000 1.275 381 V CB 0.108 31.934 31.823 0.004 0.000 0.950 381 V HN 0.953 nan 8.190 nan 0.000 0.506 382 G N 1.297 110.097 108.800 0.001 0.000 2.393 382 G HA2 0.513 4.473 3.960 -0.000 0.000 0.268 382 G HA3 0.513 4.473 3.960 -0.000 0.000 0.268 382 G C 0.125 175.026 174.900 0.002 0.000 1.472 382 G CA 0.469 45.570 45.100 0.001 0.000 1.059 382 G HN 1.382 nan 8.290 nan 0.000 0.555 383 A N -3.537 119.284 122.820 0.002 0.000 5.519 383 A HA 0.838 5.158 4.320 -0.000 0.000 0.158 383 A C 0.066 177.651 177.584 0.002 0.000 0.860 383 A CA 0.764 52.803 52.037 0.002 0.000 1.134 383 A CB -0.309 18.692 19.000 0.001 0.000 2.248 383 A HN 2.574 nan 8.150 nan 0.000 1.056 384 A N -0.608 122.213 122.820 0.002 0.000 3.033 384 A HA 0.576 4.896 4.320 -0.000 0.000 0.262 384 A C 1.020 178.605 177.584 0.002 0.000 1.301 384 A CA 1.160 53.198 52.037 0.002 0.000 0.727 384 A CB -2.616 16.385 19.000 0.001 0.000 1.094 384 A HN 3.569 nan 8.150 nan 0.000 0.374 385 T N -2.185 112.370 114.554 0.002 0.000 0.541 385 T HA -0.089 4.261 4.350 -0.000 0.000 0.774 385 T C 0.383 175.084 174.700 0.003 0.000 0.992 385 T CA 1.504 63.606 62.100 0.002 0.000 4.077 385 T CB -1.029 67.840 68.868 0.002 0.000 2.303 385 T HN 1.895 nan 8.240 nan 0.000 0.398 386 E N 0.937 121.139 120.200 0.003 0.000 2.085 386 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 386 E C 2.191 178.794 176.600 0.004 0.000 0.994 386 E CA 2.052 58.454 56.400 0.004 0.000 0.801 386 E CB -0.181 29.521 29.700 0.004 0.000 0.743 386 E HN 0.644 nan 8.360 nan 0.000 0.453 387 V N 1.385 121.301 119.914 0.004 0.000 2.332 387 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 387 V C 2.070 178.167 176.094 0.004 0.000 1.055 387 V CA 2.271 64.573 62.300 0.004 0.000 1.038 387 V CB -0.532 31.293 31.823 0.004 0.000 0.651 387 V HN 0.312 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 -0.138 4.212 4.350 -0.000 0.000 0.191 388 E C 2.190 178.793 176.600 0.004 0.000 0.982 388 E CA 0.873 57.275 56.400 0.004 0.000 0.823 388 E CB -0.196 29.506 29.700 0.003 0.000 0.766 388 E HN 0.421 nan 8.360 nan 0.000 0.468 389 M N 1.240 120.843 119.600 0.004 0.000 2.086 389 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 389 M C 1.565 177.868 176.300 0.006 0.000 1.067 389 M CA 1.507 56.810 55.300 0.004 0.000 1.116 389 M CB -0.132 32.470 32.600 0.004 0.000 1.348 389 M HN -0.148 nan 8.290 nan 0.000 0.407 390 K N 0.129 120.532 120.400 0.006 0.000 2.439 390 K HA -0.107 4.213 4.320 -0.000 0.000 0.197 390 K C 1.737 178.342 176.600 0.008 0.000 1.041 390 K CA 0.750 57.041 56.287 0.008 0.000 0.970 390 K CB -0.188 32.316 32.500 0.008 0.000 0.773 390 K HN 0.593 nan 8.250 nan 0.000 0.479 391 E N 0.985 121.189 120.200 0.007 0.000 2.102 391 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 391 E C 1.880 178.485 176.600 0.008 0.000 0.971 391 E CA 0.473 56.878 56.400 0.007 0.000 0.821 391 E CB 0.280 29.983 29.700 0.006 0.000 0.777 391 E HN 0.079 nan 8.360 nan 0.000 0.460 392 K N 1.171 121.575 120.400 0.007 0.000 2.057 392 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 392 K C 2.246 178.852 176.600 0.010 0.000 1.050 392 K CA 1.219 57.511 56.287 0.008 0.000 0.935 392 K CB 0.003 32.507 32.500 0.006 0.000 0.715 392 K HN -0.088 nan 8.250 nan 0.000 0.439 393 K N 0.329 120.735 120.400 0.010 0.000 2.059 393 K HA -0.228 4.091 4.320 -0.000 0.000 0.212 393 K C 1.893 178.503 176.600 0.017 0.000 1.050 393 K CA 1.614 57.909 56.287 0.012 0.000 0.927 393 K CB -0.214 32.293 32.500 0.011 0.000 0.714 393 K HN 0.219 nan 8.250 nan 0.000 0.447 394 A N 1.430 124.259 122.820 0.016 0.000 1.845 394 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 394 A C 2.051 179.648 177.584 0.021 0.000 1.195 394 A CA 1.619 53.667 52.037 0.018 0.000 0.616 394 A CB -0.582 18.426 19.000 0.013 0.000 0.832 394 A HN 0.375 nan 8.150 nan 0.000 0.443 395 R N -0.612 119.898 120.500 0.016 0.000 2.211 395 R HA -0.105 4.235 4.340 -0.000 0.000 0.240 395 R C 1.900 178.213 176.300 0.023 0.000 1.144 395 R CA 1.293 57.403 56.100 0.017 0.000 0.992 395 R CB -0.565 29.742 30.300 0.012 0.000 0.869 395 R HN 0.425 nan 8.270 nan 0.000 0.462 396 V N 0.959 120.887 119.914 0.023 0.000 2.283 396 V HA -0.195 3.925 4.120 -0.000 0.000 0.243 396 V C 1.980 178.098 176.094 0.040 0.000 1.039 396 V CA 1.677 63.992 62.300 0.024 0.000 1.016 396 V CB -0.330 31.503 31.823 0.017 0.000 0.650 396 V HN 0.311 nan 8.190 nan 0.000 0.449 397 E N 0.509 120.740 120.200 0.052 0.000 2.049 397 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 397 E C 2.307 178.995 176.600 0.146 0.000 1.007 397 E CA 1.574 58.032 56.400 0.097 0.000 0.809 397 E CB -0.428 29.330 29.700 0.098 0.000 0.749 397 E HN 0.580 nan 8.360 nan 0.000 0.450 398 A N 1.393 124.266 122.820 0.088 0.000 1.908 398 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 398 A C 2.364 180.002 177.584 0.089 0.000 1.181 398 A CA 2.014 54.093 52.037 0.069 0.000 0.627 398 A CB -0.789 18.225 19.000 0.024 0.000 0.818 398 A HN 0.318 nan 8.150 nan 0.000 0.445 399 A N -0.325 122.533 122.820 0.063 0.000 1.841 399 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 399 A C 2.130 179.748 177.584 0.057 0.000 1.195 399 A CA 1.733 53.800 52.037 0.050 0.000 0.611 399 A CB -0.912 18.106 19.000 0.030 0.000 0.835 399 A HN 0.954 nan 8.150 nan 0.000 0.443 400 L N -0.257 120.993 121.223 0.045 0.000 2.010 400 L HA -0.292 4.048 4.340 -0.000 0.000 0.219 400 L C 2.258 179.135 176.870 0.012 0.000 1.077 400 L CA 2.808 57.654 54.840 0.012 0.000 0.773 400 L CB -1.234 40.816 42.059 -0.015 0.000 0.892 400 L HN 0.573 nan 8.230 nan 0.000 0.436 401 H N -0.123 118.946 119.070 -0.001 0.000 2.355 401 H HA -0.213 4.343 4.556 -0.000 0.000 0.293 401 H C 2.080 177.409 175.328 0.002 0.000 1.060 401 H CA 2.277 58.325 56.048 -0.000 0.000 1.167 401 H CB -0.653 29.110 29.762 0.001 0.000 1.376 401 H HN 0.530 nan 8.280 nan 0.000 0.549 402 A N 0.027 122.951 122.820 0.174 0.000 1.997 402 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 402 A C 2.684 180.302 177.584 0.056 0.000 1.172 402 A CA 2.413 54.505 52.037 0.092 0.000 0.645 402 A CB -1.059 17.978 19.000 0.061 0.000 0.813 402 A HN 0.535 nan 8.150 nan 0.000 0.454 403 T N -0.911 113.669 114.554 0.044 0.000 2.643 403 T HA -0.148 4.202 4.350 -0.000 0.000 0.264 403 T C 2.169 176.876 174.700 0.012 0.000 1.045 403 T CA 1.349 63.461 62.100 0.021 0.000 1.155 403 T CB -0.272 68.603 68.868 0.011 0.000 0.863 403 T HN 0.367 nan 8.240 nan 0.000 0.420 404 R N 1.281 121.780 120.500 -0.001 0.000 2.134 404 R HA -0.103 4.237 4.340 -0.000 0.000 0.248 404 R C 2.405 178.708 176.300 0.005 0.000 1.143 404 R CA 1.949 58.041 56.100 -0.014 0.000 0.957 404 R CB -1.208 29.063 30.300 -0.048 0.000 0.867 404 R HN 0.451 nan 8.270 nan 0.000 0.441 405 A N -0.517 122.319 122.820 0.025 0.000 2.216 405 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 405 A C 2.045 179.643 177.584 0.023 0.000 1.160 405 A CA 1.479 53.535 52.037 0.032 0.000 0.725 405 A CB -0.247 18.785 19.000 0.053 0.000 0.784 405 A HN 0.424 nan 8.150 nan 0.000 0.472 406 A N -0.934 121.897 122.820 0.019 0.000 1.942 406 A HA 0.232 4.552 4.320 -0.000 0.000 0.209 406 A C 2.014 179.604 177.584 0.010 0.000 1.214 406 A CA 0.992 53.038 52.037 0.015 0.000 0.686 406 A CB -0.579 18.430 19.000 0.015 0.000 0.871 406 A HN 0.278 nan 8.150 nan 0.000 0.460 407 V N 0.714 120.632 119.914 0.007 0.000 2.324 407 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 407 V C 2.400 178.496 176.094 0.003 0.000 1.060 407 V CA 2.518 64.820 62.300 0.003 0.000 1.042 407 V CB -0.872 30.950 31.823 -0.001 0.000 0.650 407 V HN 0.618 nan 8.190 nan 0.000 0.450 408 E N -0.103 120.099 120.200 0.004 0.000 2.006 408 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 408 E C 1.575 178.178 176.600 0.005 0.000 0.993 408 E CA 1.401 57.803 56.400 0.005 0.000 0.808 408 E CB -0.041 29.663 29.700 0.006 0.000 0.764 408 E HN 0.657 nan 8.360 nan 0.000 0.449 409 E N -0.330 119.874 120.200 0.006 0.000 2.685 409 E HA 0.252 4.602 4.350 -0.000 0.000 0.208 409 E C 0.083 176.687 176.600 0.006 0.000 0.996 409 E CA 0.007 56.410 56.400 0.005 0.000 1.054 409 E CB 1.303 31.005 29.700 0.003 0.000 1.075 409 E HN 0.318 nan 8.360 nan 0.000 0.460 410 G N 1.013 109.818 108.800 0.008 0.000 2.642 410 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 410 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 410 G C -0.294 174.613 174.900 0.011 0.000 1.338 410 G CA -0.372 44.734 45.100 0.009 0.000 0.883 410 G HN 0.630 nan 8.290 nan 0.000 0.570 411 V N -3.187 116.734 119.914 0.012 0.000 3.147 411 V HA 0.977 5.097 4.120 -0.000 0.000 0.306 411 V C -0.170 175.933 176.094 0.015 0.000 1.209 411 V CA 0.373 62.681 62.300 0.014 0.000 1.023 411 V CB 1.449 33.281 31.823 0.015 0.000 1.059 411 V HN 2.640 nan 8.190 nan 0.000 0.435 412 V N 2.043 121.967 119.914 0.016 0.000 3.178 412 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 412 V C 0.491 176.598 176.094 0.021 0.000 1.262 412 V CA -0.248 62.063 62.300 0.019 0.000 1.030 412 V CB 1.873 33.706 31.823 0.017 0.000 1.074 412 V HN 2.686 nan 8.190 nan 0.000 0.438 413 A N 3.604 126.439 122.820 0.026 0.000 2.500 413 A HA 0.403 4.723 4.320 -0.000 0.000 0.281 413 A C 1.059 178.657 177.584 0.024 0.000 1.092 413 A CA 1.110 53.164 52.037 0.029 0.000 0.909 413 A CB -1.340 17.683 19.000 0.038 0.000 0.958 413 A HN 2.078 nan 8.150 nan 0.000 0.535 414 G N 1.456 110.268 108.800 0.021 0.000 2.485 414 G HA2 0.513 4.473 3.960 -0.000 0.000 0.260 414 G HA3 0.513 4.473 3.960 -0.000 0.000 0.260 414 G C 1.260 176.171 174.900 0.019 0.000 1.459 414 G CA -0.064 45.046 45.100 0.018 0.000 1.060 414 G HN 2.213 nan 8.290 nan 0.000 0.546 415 G N -2.191 106.619 108.800 0.016 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 1.508 176.417 174.900 0.015 0.000 1.036 415 G CA 1.185 46.296 45.100 0.019 0.000 0.824 415 G HN 2.475 nan 8.290 nan 0.000 0.504 416 G N -2.785 106.021 108.800 0.010 0.000 2.253 416 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.251 416 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.251 416 G C 1.942 176.846 174.900 0.006 0.000 0.998 416 G CA 1.836 46.938 45.100 0.003 0.000 0.621 416 G HN 2.045 nan 8.290 nan 0.000 0.524 417 V N -0.861 119.062 119.914 0.014 0.000 2.270 417 V HA 0.271 4.391 4.120 -0.000 0.000 0.245 417 V C 3.107 179.214 176.094 0.021 0.000 1.043 417 V CA 2.357 64.669 62.300 0.019 0.000 1.014 417 V CB -1.778 30.061 31.823 0.026 0.000 0.645 417 V HN 1.721 nan 8.190 nan 0.000 0.447 418 A N 1.538 124.371 122.820 0.021 0.000 1.899 418 A HA -0.302 4.018 4.320 -0.000 0.000 0.230 418 A C 2.282 179.876 177.584 0.017 0.000 1.593 418 A CA 3.204 55.253 52.037 0.020 0.000 0.728 418 A CB -1.133 17.876 19.000 0.016 0.000 0.848 418 A HN 0.630 nan 8.150 nan 0.000 0.490 419 L N -0.975 120.256 121.223 0.013 0.000 2.005 419 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 419 L C 2.612 179.489 176.870 0.012 0.000 1.072 419 L CA 1.646 56.492 54.840 0.010 0.000 0.744 419 L CB -0.771 41.292 42.059 0.007 0.000 0.895 419 L HN 0.445 nan 8.230 nan 0.000 0.433 420 I N -0.329 120.248 120.570 0.012 0.000 2.315 420 I HA -0.299 3.871 4.170 -0.000 0.000 0.251 420 I C 2.801 178.931 176.117 0.022 0.000 1.125 420 I CA 0.886 62.195 61.300 0.014 0.000 1.392 420 I CB -0.449 37.559 38.000 0.013 0.000 1.065 420 I HN 0.282 nan 8.210 nan 0.000 0.424 421 R N 1.502 122.018 120.500 0.027 0.000 2.082 421 R HA -0.103 4.237 4.340 -0.000 0.000 0.228 421 R C 2.203 178.519 176.300 0.025 0.000 1.140 421 R CA 1.834 57.954 56.100 0.034 0.000 0.920 421 R CB -1.115 29.208 30.300 0.039 0.000 0.828 421 R HN 0.088 nan 8.270 nan 0.000 0.430 422 V N 1.318 121.243 119.914 0.020 0.000 2.218 422 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 422 V C 2.274 178.375 176.094 0.012 0.000 1.057 422 V CA 2.619 64.928 62.300 0.014 0.000 1.022 422 V CB -1.260 30.569 31.823 0.010 0.000 0.645 422 V HN 0.627 nan 8.190 nan 0.000 0.451 423 A N 0.219 123.046 122.820 0.011 0.000 2.245 423 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 423 A C 2.320 179.910 177.584 0.011 0.000 1.171 423 A CA 2.096 54.139 52.037 0.009 0.000 0.688 423 A CB -0.619 18.386 19.000 0.007 0.000 0.781 423 A HN 0.804 nan 8.150 nan 0.000 0.479 424 S N -1.111 114.598 115.700 0.015 0.000 2.486 424 S HA 0.062 4.532 4.470 -0.000 0.000 0.220 424 S C 1.651 176.259 174.600 0.015 0.000 1.011 424 S CA 0.659 58.869 58.200 0.017 0.000 0.921 424 S CB -0.009 63.206 63.200 0.024 0.000 0.785 424 S HN 0.618 nan 8.310 nan 0.000 0.517 425 K N 1.400 121.808 120.400 0.014 0.000 2.067 425 K HA 0.268 4.588 4.320 -0.000 0.000 0.203 425 K C 1.261 177.866 176.600 0.008 0.000 1.048 425 K CA 0.743 57.037 56.287 0.011 0.000 0.954 425 K CB -0.416 32.091 32.500 0.011 0.000 0.737 425 K HN 0.306 nan 8.250 nan 0.000 0.444 426 L N 1.662 122.889 121.223 0.007 0.000 2.885 426 L HA -0.030 4.310 4.340 -0.000 0.000 0.258 426 L C 1.756 178.629 176.870 0.004 0.000 1.146 426 L CA -0.322 54.521 54.840 0.005 0.000 0.922 426 L CB -0.693 41.368 42.059 0.004 0.000 1.138 426 L HN 0.194 nan 8.230 nan 0.000 0.431 427 A N -0.629 122.194 122.820 0.005 0.000 2.172 427 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 427 A C 1.748 179.334 177.584 0.003 0.000 1.154 427 A CA 1.214 53.253 52.037 0.005 0.000 0.701 427 A CB -0.162 18.841 19.000 0.005 0.000 0.789 427 A HN 0.390 nan 8.150 nan 0.000 0.465 428 D N -1.203 119.199 120.400 0.003 0.000 2.389 428 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 428 D C 0.331 176.632 176.300 0.001 0.000 1.055 428 D CA -0.227 53.774 54.000 0.002 0.000 0.856 428 D CB 0.041 40.842 40.800 0.002 0.000 0.957 428 D HN 0.349 nan 8.370 nan 0.000 0.509 429 L N 2.258 123.482 121.223 0.002 0.000 2.578 429 L HA 0.010 4.350 4.340 -0.000 0.000 0.279 429 L C 0.172 177.042 176.870 0.001 0.000 1.227 429 L CA 0.753 55.594 54.840 0.001 0.000 0.900 429 L CB 0.066 42.125 42.059 0.001 0.000 1.144 429 L HN -0.163 nan 8.230 nan 0.000 0.496 430 R N 3.120 123.621 120.500 0.000 0.000 2.855 430 R HA 0.720 5.060 4.340 -0.000 0.000 0.266 430 R C -0.243 176.057 176.300 -0.000 0.000 1.034 430 R CA -0.332 55.768 56.100 -0.000 0.000 0.944 430 R CB 1.470 31.770 30.300 -0.000 0.000 1.219 430 R HN 0.798 nan 8.270 nan 0.000 0.474 431 G N -0.364 108.435 108.800 -0.001 0.000 3.212 431 G HA2 0.223 4.183 3.960 -0.000 0.000 0.188 431 G HA3 0.223 4.183 3.960 -0.000 0.000 0.188 431 G C 0.030 174.930 174.900 -0.001 0.000 1.254 431 G CA -0.184 44.916 45.100 -0.001 0.000 0.957 431 G HN 0.411 nan 8.290 nan 0.000 0.596 432 Q N -0.383 119.416 119.800 -0.001 0.000 2.250 432 Q HA 0.113 4.453 4.340 -0.000 0.000 0.200 432 Q C -0.099 175.900 176.000 -0.002 0.000 0.941 432 Q CA 0.689 56.491 55.803 -0.002 0.000 0.872 432 Q CB 0.148 28.885 28.738 -0.002 0.000 0.965 432 Q HN 0.588 nan 8.270 nan 0.000 0.480 433 N N -1.555 117.144 118.700 -0.002 0.000 2.321 433 N HA 0.398 5.138 4.740 -0.000 0.000 0.290 433 N C -0.055 175.454 175.510 -0.002 0.000 1.212 433 N CA -0.034 53.015 53.050 -0.002 0.000 0.767 433 N CB 0.695 39.180 38.487 -0.002 0.000 1.494 433 N HN -0.075 nan 8.380 nan 0.000 0.479 434 A N 0.404 123.223 122.820 -0.001 0.000 1.915 434 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 434 A C 1.026 178.609 177.584 -0.001 0.000 1.198 434 A CA 2.069 54.105 52.037 -0.001 0.000 0.647 434 A CB -0.983 18.017 19.000 -0.001 0.000 0.825 434 A HN 0.753 nan 8.150 nan 0.000 0.456 435 D N -1.200 119.200 120.400 -0.002 0.000 2.411 435 D HA -0.063 4.577 4.640 -0.000 0.000 0.226 435 D C 1.696 177.995 176.300 -0.001 0.000 0.988 435 D CA 0.992 54.991 54.000 -0.002 0.000 0.938 435 D CB -0.038 40.761 40.800 -0.002 0.000 0.883 435 D HN 0.730 nan 8.370 nan 0.000 0.525 436 Q N -0.956 118.844 119.800 -0.001 0.000 2.422 436 Q HA 0.089 4.429 4.340 -0.000 0.000 0.255 436 Q C 1.421 177.421 176.000 -0.001 0.000 0.864 436 Q CA -0.205 55.598 55.803 -0.001 0.000 0.968 436 Q CB 0.520 29.257 28.738 -0.001 0.000 1.130 436 Q HN 0.032 nan 8.270 nan 0.000 0.556 437 N N 0.167 118.866 118.700 -0.001 0.000 2.166 437 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 437 N C 1.672 177.182 175.510 0.000 0.000 1.019 437 N CA 1.070 54.120 53.050 -0.000 0.000 0.856 437 N CB 0.008 38.494 38.487 -0.000 0.000 0.993 437 N HN 0.049 nan 8.380 nan 0.000 0.426 438 V N 0.652 120.566 119.914 -0.000 0.000 2.548 438 V HA -0.060 4.060 4.120 -0.000 0.000 0.249 438 V C 2.306 178.401 176.094 0.000 0.000 1.055 438 V CA 1.703 64.003 62.300 0.000 0.000 1.065 438 V CB -0.997 30.826 31.823 -0.000 0.000 0.681 438 V HN 0.316 nan 8.190 nan 0.000 0.462 439 G N -0.473 108.328 108.800 0.000 0.000 2.535 439 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G C 1.399 176.300 174.900 0.001 0.000 1.122 439 G CA 0.765 45.865 45.100 0.001 0.000 0.769 439 G HN 0.509 nan 8.290 nan 0.000 0.549 440 I N -0.512 120.058 120.570 0.001 0.000 2.834 440 I HA 0.047 4.217 4.170 -0.000 0.000 0.239 440 I C 2.395 178.513 176.117 0.001 0.000 1.073 440 I CA 0.184 61.485 61.300 0.001 0.000 1.459 440 I CB -0.117 37.883 38.000 0.001 0.000 1.288 440 I HN -0.158 nan 8.210 nan 0.000 0.455 441 K N 1.006 121.406 120.400 0.001 0.000 2.163 441 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 441 K C 2.065 178.666 176.600 0.002 0.000 1.048 441 K CA 1.229 57.517 56.287 0.001 0.000 0.928 441 K CB -1.020 31.480 32.500 0.001 0.000 0.716 441 K HN 0.198 nan 8.250 nan 0.000 0.459 442 V N 1.220 121.135 119.914 0.001 0.000 2.261 442 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 442 V C 2.414 178.510 176.094 0.002 0.000 1.047 442 V CA 2.046 64.347 62.300 0.002 0.000 1.015 442 V CB -0.724 31.100 31.823 0.002 0.000 0.642 442 V HN 0.375 nan 8.190 nan 0.000 0.446 443 A N -0.854 121.967 122.820 0.002 0.000 2.070 443 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 443 A C 2.134 179.719 177.584 0.003 0.000 1.159 443 A CA 1.573 53.611 52.037 0.003 0.000 0.656 443 A CB -0.372 18.630 19.000 0.002 0.000 0.800 443 A HN 0.542 nan 8.150 nan 0.000 0.453 444 L N -1.608 119.617 121.223 0.002 0.000 2.071 444 L HA -0.009 4.331 4.340 -0.000 0.000 0.201 444 L C 2.624 179.495 176.870 0.002 0.000 1.076 444 L CA 1.223 56.065 54.840 0.003 0.000 0.755 444 L CB -0.571 41.489 42.059 0.003 0.000 0.915 444 L HN 0.370 nan 8.230 nan 0.000 0.445 445 R N 0.911 121.412 120.500 0.002 0.000 2.261 445 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 445 R C 1.663 177.963 176.300 -0.000 0.000 1.141 445 R CA 1.273 57.374 56.100 0.001 0.000 1.001 445 R CB -0.085 30.215 30.300 0.000 0.000 0.866 445 R HN 0.382 nan 8.270 nan 0.000 0.468 446 A N -0.434 122.386 122.820 0.001 0.000 2.307 446 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 446 A C 1.476 179.061 177.584 0.002 0.000 1.228 446 A CA -0.063 51.975 52.037 0.001 0.000 0.857 446 A CB 0.089 19.091 19.000 0.003 0.000 0.897 446 A HN 0.315 nan 8.150 nan 0.000 0.495 447 M N -1.372 118.229 119.600 0.001 0.000 2.461 447 M HA 0.115 4.595 4.480 -0.000 0.000 0.255 447 M C 1.071 177.370 176.300 -0.001 0.000 1.137 447 M CA 0.433 55.735 55.300 0.002 0.000 1.086 447 M CB 0.152 32.754 32.600 0.003 0.000 1.356 447 M HN 0.332 nan 8.290 nan 0.000 0.487 448 E N 1.086 121.285 120.200 -0.003 0.000 2.511 448 E HA 0.024 4.374 4.350 -0.000 0.000 0.196 448 E C 1.754 178.347 176.600 -0.013 0.000 1.066 448 E CA 0.231 56.627 56.400 -0.007 0.000 0.871 448 E CB 0.130 29.826 29.700 -0.007 0.000 0.863 448 E HN 0.461 nan 8.360 nan 0.000 0.520 449 A N 2.069 124.883 122.820 -0.010 0.000 1.826 449 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 449 A C -0.368 177.207 177.584 -0.016 0.000 1.212 449 A CA 0.709 52.739 52.037 -0.012 0.000 0.605 449 A CB -1.452 17.544 19.000 -0.006 0.000 0.861 449 A HN 0.082 nan 8.150 nan 0.000 0.447 450 P HA -0.213 nan 4.420 nan 0.000 0.217 450 P C 1.674 178.961 177.300 -0.022 0.000 1.158 450 P CA 1.426 64.519 63.100 -0.011 0.000 0.887 450 P CB -0.069 31.628 31.700 -0.004 0.000 0.792 451 L N -0.655 120.552 121.223 -0.027 0.000 1.961 451 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 451 L C 2.399 179.227 176.870 -0.070 0.000 1.075 451 L CA 1.790 56.602 54.840 -0.048 0.000 0.749 451 L CB -0.906 41.124 42.059 -0.048 0.000 0.890 451 L HN -0.284 nan 8.230 nan 0.000 0.433 452 R N -1.010 119.453 120.500 -0.062 0.000 2.228 452 R HA -0.302 4.038 4.340 -0.000 0.000 0.259 452 R C 2.237 178.499 176.300 -0.062 0.000 1.183 452 R CA 1.868 57.929 56.100 -0.065 0.000 1.002 452 R CB -0.320 29.955 30.300 -0.042 0.000 0.879 452 R HN 0.491 nan 8.270 nan 0.000 0.467 453 Q N 0.532 120.303 119.800 -0.049 0.000 2.036 453 Q HA -0.002 4.338 4.340 -0.000 0.000 0.195 453 Q C 1.880 177.851 176.000 -0.047 0.000 0.971 453 Q CA 1.400 57.179 55.803 -0.040 0.000 0.826 453 Q CB -0.040 28.683 28.738 -0.026 0.000 0.896 453 Q HN 0.336 nan 8.270 nan 0.000 0.449 454 I N -0.053 120.488 120.570 -0.047 0.000 2.315 454 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 454 I C 1.921 177.996 176.117 -0.071 0.000 1.125 454 I CA 0.846 62.121 61.300 -0.043 0.000 1.392 454 I CB -0.568 37.415 38.000 -0.027 0.000 1.065 454 I HN 0.012 nan 8.210 nan 0.000 0.424 455 V N 0.929 120.766 119.914 -0.129 0.000 2.867 455 V HA -0.199 3.921 4.120 -0.000 0.000 0.260 455 V C 2.202 178.226 176.094 -0.117 0.000 1.099 455 V CA 1.310 63.490 62.300 -0.201 0.000 1.122 455 V CB -0.346 31.307 31.823 -0.282 0.000 0.708 455 V HN 0.371 nan 8.190 nan 0.000 0.490 456 L N 0.120 121.297 121.223 -0.076 0.000 2.298 456 L HA 0.196 4.536 4.340 -0.000 0.000 0.209 456 L C 1.799 178.650 176.870 -0.032 0.000 1.084 456 L CA 1.303 56.113 54.840 -0.049 0.000 0.816 456 L CB -0.459 41.576 42.059 -0.039 0.000 0.967 456 L HN 0.252 nan 8.230 nan 0.000 0.460 457 N N -1.251 117.432 118.700 -0.029 0.000 2.575 457 N HA -0.048 4.692 4.740 -0.000 0.000 0.192 457 N C 0.620 176.124 175.510 -0.010 0.000 1.200 457 N CA 0.684 53.724 53.050 -0.016 0.000 0.897 457 N CB -0.339 38.141 38.487 -0.012 0.000 0.990 457 N HN 0.373 nan 8.380 nan 0.000 0.449 458 C N -1.508 117.784 119.300 -0.014 0.000 3.386 458 C HA 0.397 4.857 4.460 -0.000 0.000 0.279 458 C C 1.638 176.626 174.990 -0.002 0.000 1.508 458 C CA -0.378 58.640 59.018 -0.000 0.000 1.801 458 C CB -0.443 27.307 27.740 0.016 0.000 2.798 458 C HN 0.475 nan 8.230 nan 0.000 0.605 459 G N 1.768 110.562 108.800 -0.011 0.000 2.200 459 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G C -0.229 174.665 174.900 -0.010 0.000 0.993 459 G CA 0.585 45.679 45.100 -0.009 0.000 0.701 459 G HN 0.578 nan 8.290 nan 0.000 0.524 460 E N 0.961 121.148 120.200 -0.022 0.000 2.156 460 E HA 0.279 4.629 4.350 -0.000 0.000 0.279 460 E C 0.425 176.995 176.600 -0.050 0.000 0.965 460 E CA -0.538 55.847 56.400 -0.025 0.000 0.789 460 E CB 0.762 30.446 29.700 -0.026 0.000 1.098 460 E HN 0.575 nan 8.360 nan 0.000 0.397 461 E N 4.274 124.457 120.200 -0.028 0.000 2.757 461 E HA -0.097 4.253 4.350 -0.000 0.000 0.238 461 E C -1.561 175.006 176.600 -0.056 0.000 1.057 461 E CA -0.820 55.562 56.400 -0.030 0.000 0.952 461 E CB 0.198 29.893 29.700 -0.009 0.000 0.934 461 E HN 0.209 nan 8.360 nan 0.000 0.518 462 P HA -0.155 nan 4.420 nan 0.000 0.218 462 P C 1.039 178.304 177.300 -0.058 0.000 1.149 462 P CA 0.863 63.909 63.100 -0.090 0.000 0.817 462 P CB 0.295 31.951 31.700 -0.074 0.000 0.785 463 S N -0.354 115.325 115.700 -0.035 0.000 2.393 463 S HA -0.183 4.287 4.470 -0.000 0.000 0.234 463 S C 1.923 176.517 174.600 -0.010 0.000 1.064 463 S CA 1.894 60.084 58.200 -0.018 0.000 1.088 463 S CB -1.599 61.595 63.200 -0.010 0.000 0.939 463 S HN -0.000 nan 8.310 nan 0.000 0.448 464 V N 1.187 121.098 119.914 -0.005 0.000 2.278 464 V HA -0.068 4.052 4.120 -0.000 0.000 0.238 464 V C 2.353 178.465 176.094 0.031 0.000 1.039 464 V CA 1.192 63.503 62.300 0.020 0.000 1.017 464 V CB -0.988 30.860 31.823 0.041 0.000 0.657 464 V HN 0.360 nan 8.190 nan 0.000 0.462 465 V N 0.776 120.694 119.914 0.006 0.000 2.353 465 V HA -0.395 3.725 4.120 -0.000 0.000 0.260 465 V C 2.619 178.719 176.094 0.009 0.000 1.091 465 V CA 2.482 64.777 62.300 -0.008 0.000 1.088 465 V CB -1.338 30.268 31.823 -0.362 0.000 0.672 465 V HN 0.590 nan 8.190 nan 0.000 0.455 466 A N 0.263 123.065 122.820 -0.031 0.000 1.832 466 A HA -0.243 4.077 4.320 -0.000 0.000 0.214 466 A C 2.057 179.651 177.584 0.016 0.000 1.204 466 A CA 1.904 53.932 52.037 -0.015 0.000 0.606 466 A CB -0.915 18.070 19.000 -0.027 0.000 0.849 466 A HN 0.610 nan 8.150 nan 0.000 0.445 467 N N -0.553 118.156 118.700 0.015 0.000 2.096 467 N HA -0.191 4.548 4.740 -0.000 0.000 0.195 467 N C 1.598 177.126 175.510 0.031 0.000 1.017 467 N CA 2.735 55.797 53.050 0.020 0.000 0.870 467 N CB -0.509 37.988 38.487 0.017 0.000 1.024 467 N HN 0.393 nan 8.380 nan 0.000 0.434 468 T N -0.849 113.729 114.554 0.040 0.000 2.812 468 T HA -0.009 4.341 4.350 -0.000 0.000 0.264 468 T C 1.832 176.557 174.700 0.042 0.000 1.042 468 T CA 1.098 63.210 62.100 0.020 0.000 1.140 468 T CB -0.235 68.615 68.868 -0.030 0.000 0.870 468 T HN 0.070 nan 8.240 nan 0.000 0.445 469 V N 1.406 121.351 119.914 0.052 0.000 2.626 469 V HA -0.123 3.997 4.120 -0.000 0.000 0.252 469 V C 2.375 178.520 176.094 0.085 0.000 1.067 469 V CA 1.440 63.757 62.300 0.027 0.000 1.081 469 V CB -0.446 31.392 31.823 0.025 0.000 0.686 469 V HN 0.450 nan 8.190 nan 0.000 0.468 470 K N 0.423 120.862 120.400 0.065 0.000 2.031 470 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 470 K C 2.005 178.648 176.600 0.071 0.000 1.049 470 K CA 1.163 57.486 56.287 0.060 0.000 0.939 470 K CB -0.555 31.967 32.500 0.036 0.000 0.717 470 K HN 0.526 nan 8.250 nan 0.000 0.438 471 G N 0.744 109.584 108.800 0.067 0.000 2.894 471 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.203 471 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.203 471 G C 0.434 175.369 174.900 0.060 0.000 1.173 471 G CA 0.668 45.799 45.100 0.052 0.000 0.854 471 G HN 0.372 nan 8.290 nan 0.000 0.510 472 G N -0.483 108.382 108.800 0.109 0.000 3.291 472 G HA2 0.618 4.578 3.960 -0.000 0.000 0.173 472 G HA3 0.618 4.578 3.960 -0.000 0.000 0.173 472 G C -1.289 173.657 174.900 0.077 0.000 1.099 472 G CA 0.146 45.294 45.100 0.079 0.000 0.794 472 G HN 0.406 nan 8.290 nan 0.000 0.651 473 D N -3.058 117.401 120.400 0.099 0.000 2.808 473 D HA 0.523 5.163 4.640 -0.000 0.000 0.294 473 D C 0.406 176.763 176.300 0.095 0.000 1.278 473 D CA 0.676 54.724 54.000 0.079 0.000 0.756 473 D CB 0.362 41.179 40.800 0.029 0.000 1.271 473 D HN 1.959 nan 8.370 nan 0.000 0.425 474 G N 0.157 109.002 108.800 0.074 0.000 2.553 474 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 474 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 474 G C -0.192 174.770 174.900 0.103 0.000 1.277 474 G CA 0.045 45.190 45.100 0.074 0.000 0.910 474 G HN 0.795 nan 8.290 nan 0.000 0.576 475 N N 0.033 118.797 118.700 0.106 0.000 2.322 475 N HA 0.191 4.931 4.740 -0.000 0.000 0.216 475 N C 0.042 175.649 175.510 0.162 0.000 1.144 475 N CA -0.169 52.944 53.050 0.106 0.000 0.830 475 N CB 0.177 38.710 38.487 0.076 0.000 1.034 475 N HN 0.488 nan 8.380 nan 0.000 0.484 476 Y N 1.432 121.760 120.300 0.047 0.000 2.537 476 Y HA 0.302 4.852 4.550 -0.000 0.000 0.339 476 Y C 0.574 176.538 175.900 0.107 0.000 1.066 476 Y CA -0.247 57.894 58.100 0.067 0.000 1.357 476 Y CB 0.026 38.513 38.460 0.045 0.000 1.175 476 Y HN -0.023 nan 8.280 nan 0.000 0.525 477 G N 4.601 113.305 108.800 -0.160 0.000 3.247 477 G HA2 0.310 4.270 3.960 -0.000 0.000 0.226 477 G HA3 0.310 4.270 3.960 -0.000 0.000 0.226 477 G C -2.199 172.663 174.900 -0.064 0.000 1.220 477 G CA -0.867 44.148 45.100 -0.142 0.000 0.875 477 G HN 0.597 nan 8.290 nan 0.000 0.606 478 Y N 0.869 121.084 120.300 -0.142 0.000 2.373 478 Y HA 0.544 5.094 4.550 0.000 0.000 0.336 478 Y C -0.610 175.163 175.900 -0.212 0.000 0.979 478 Y CA -1.191 56.736 58.100 -0.288 0.000 1.080 478 Y CB 1.787 40.029 38.460 -0.363 0.000 1.190 478 Y HN 0.434 nan 8.280 nan 0.000 0.446 479 N N 4.514 122.947 118.700 -0.445 0.000 2.411 479 N HA 0.200 4.940 4.740 -0.000 0.000 0.259 479 N C 0.567 175.905 175.510 -0.287 0.000 1.103 479 N CA 0.773 53.666 53.050 -0.262 0.000 0.954 479 N CB 1.774 40.113 38.487 -0.247 0.000 1.085 479 N HN 0.983 nan 8.380 nan 0.000 0.485 480 A N 4.595 127.446 122.820 0.051 0.000 1.865 480 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 480 A C 2.077 179.680 177.584 0.032 0.000 1.191 480 A CA 2.091 54.229 52.037 0.169 0.000 0.623 480 A CB -1.040 18.023 19.000 0.105 0.000 0.826 480 A HN 0.753 nan 8.150 nan 0.000 0.444 481 A N -0.520 122.285 122.820 -0.025 0.000 1.851 481 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 481 A C 2.488 180.025 177.584 -0.078 0.000 1.195 481 A CA 2.930 54.944 52.037 -0.039 0.000 0.622 481 A CB -1.509 17.471 19.000 -0.034 0.000 0.831 481 A HN 0.906 nan 8.150 nan 0.000 0.444 482 T N -3.520 110.956 114.554 -0.131 0.000 3.055 482 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 482 T C 0.548 175.117 174.700 -0.219 0.000 1.111 482 T CA 1.119 63.128 62.100 -0.151 0.000 1.118 482 T CB -0.394 68.385 68.868 -0.149 0.000 0.909 482 T HN 0.599 nan 8.240 nan 0.000 0.501 483 E N 0.508 120.494 120.200 -0.357 0.000 3.070 483 E HA -0.128 4.222 4.350 -0.000 0.000 0.285 483 E C -0.785 175.459 176.600 -0.593 0.000 0.972 483 E CA 0.773 56.898 56.400 -0.459 0.000 0.915 483 E CB -1.164 28.452 29.700 -0.141 0.000 1.466 483 E HN 0.691 nan 8.360 nan 0.000 0.432 484 E N -0.481 119.324 120.200 -0.658 0.000 2.317 484 E HA 0.400 4.750 4.350 -0.000 0.000 0.270 484 E C -0.231 176.060 176.600 -0.516 0.000 0.885 484 E CA -0.626 55.505 56.400 -0.448 0.000 0.760 484 E CB 1.004 30.598 29.700 -0.176 0.000 1.227 484 E HN -0.021 nan 8.360 nan 0.000 0.434 485 Y N 0.481 120.660 120.300 -0.201 0.000 2.314 485 Y HA 0.583 5.133 4.550 0.000 0.000 0.359 485 Y C 1.512 177.403 175.900 -0.013 0.000 1.360 485 Y CA 0.765 58.780 58.100 -0.143 0.000 1.697 485 Y CB 0.480 38.892 38.460 -0.079 0.000 1.630 485 Y HN 0.728 nan 8.280 nan 0.000 0.583 486 G N -0.339 108.637 108.800 0.293 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 -1.601 173.451 174.900 0.253 0.000 1.299 486 G CA -1.004 44.273 45.100 0.294 0.000 1.018 486 G HN 0.643 nan 8.290 nan 0.000 0.478 487 N N 1.289 120.092 118.700 0.172 0.000 2.399 487 N HA 0.138 4.878 4.740 -0.000 0.000 0.259 487 N C 1.905 177.462 175.510 0.078 0.000 1.160 487 N CA -0.415 52.714 53.050 0.131 0.000 0.946 487 N CB 0.555 39.097 38.487 0.092 0.000 1.156 487 N HN 0.439 nan 8.380 nan 0.000 0.489 488 M N 3.366 123.007 119.600 0.069 0.000 2.267 488 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 488 M C 1.470 177.789 176.300 0.032 0.000 1.063 488 M CA 0.931 56.254 55.300 0.038 0.000 1.090 488 M CB -0.440 32.182 32.600 0.035 0.000 1.392 488 M HN 0.541 nan 8.290 nan 0.000 0.422 489 I N 0.224 120.817 120.570 0.038 0.000 2.277 489 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 489 I C 1.893 178.025 176.117 0.024 0.000 1.094 489 I CA 1.224 62.542 61.300 0.029 0.000 1.393 489 I CB -1.285 36.733 38.000 0.030 0.000 1.078 489 I HN 0.216 nan 8.210 nan 0.000 0.417 490 D N 0.829 121.246 120.400 0.028 0.000 2.117 490 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 490 D C 2.195 178.504 176.300 0.016 0.000 0.987 490 D CA 1.120 55.133 54.000 0.023 0.000 0.829 490 D CB -0.152 40.665 40.800 0.028 0.000 0.961 490 D HN 0.291 nan 8.370 nan 0.000 0.460 491 M N -0.363 119.247 119.600 0.016 0.000 2.700 491 M HA 0.044 4.524 4.480 -0.000 0.000 0.249 491 M C 1.079 177.380 176.300 0.001 0.000 1.082 491 M CA 0.797 56.100 55.300 0.004 0.000 1.077 491 M CB -0.032 32.566 32.600 -0.003 0.000 1.477 491 M HN 0.087 nan 8.290 nan 0.000 0.529 492 G N 1.988 110.793 108.800 0.007 0.000 2.160 492 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.251 492 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.251 492 G C 0.017 174.921 174.900 0.006 0.000 1.008 492 G CA -0.179 44.925 45.100 0.006 0.000 0.724 492 G HN 0.535 nan 8.290 nan 0.000 0.514 493 I N 0.850 121.424 120.570 0.008 0.000 2.347 493 I HA 0.571 4.741 4.170 -0.000 0.000 0.283 493 I C 0.152 176.277 176.117 0.014 0.000 1.058 493 I CA -0.828 60.477 61.300 0.008 0.000 1.202 493 I CB 0.592 38.595 38.000 0.005 0.000 1.386 493 I HN 0.264 nan 8.210 nan 0.000 0.475 494 L N 3.757 124.988 121.223 0.014 0.000 2.710 494 L HA 0.706 5.046 4.340 -0.000 0.000 0.260 494 L C -1.723 175.157 176.870 0.015 0.000 0.993 494 L CA -0.801 54.048 54.840 0.016 0.000 0.877 494 L CB 1.796 43.865 42.059 0.017 0.000 1.461 494 L HN 0.106 nan 8.230 nan 0.000 0.413 495 D N -0.177 120.233 120.400 0.016 0.000 2.575 495 D HA 0.518 5.158 4.640 -0.000 0.000 0.236 495 D C -2.820 173.490 176.300 0.017 0.000 1.075 495 D CA -1.258 52.752 54.000 0.017 0.000 0.860 495 D CB 2.228 43.038 40.800 0.016 0.000 1.475 495 D HN 0.351 nan 8.370 nan 0.000 0.474 496 P HA -0.006 nan 4.420 nan 0.000 0.267 496 P C 0.882 178.192 177.300 0.016 0.000 1.201 496 P CA 0.160 63.272 63.100 0.020 0.000 0.775 496 P CB 0.616 32.331 31.700 0.026 0.000 0.854 497 T N 1.012 115.573 114.554 0.013 0.000 2.770 497 T HA -0.144 4.206 4.350 -0.000 0.000 0.263 497 T C 1.641 176.344 174.700 0.005 0.000 1.039 497 T CA 1.088 63.193 62.100 0.008 0.000 1.142 497 T CB -0.385 68.486 68.868 0.006 0.000 0.868 497 T HN 0.480 nan 8.240 nan 0.000 0.435 498 K N 0.886 121.291 120.400 0.007 0.000 2.049 498 K HA -0.234 4.086 4.320 -0.000 0.000 0.219 498 K C 2.390 178.994 176.600 0.006 0.000 1.056 498 K CA 2.256 58.546 56.287 0.005 0.000 0.946 498 K CB -0.648 31.862 32.500 0.016 0.000 0.723 498 K HN 0.315 nan 8.250 nan 0.000 0.453 499 V N -0.274 119.650 119.914 0.017 0.000 2.261 499 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 499 V C 1.776 177.880 176.094 0.015 0.000 1.047 499 V CA 2.563 64.876 62.300 0.023 0.000 1.015 499 V CB -1.056 30.784 31.823 0.028 0.000 0.642 499 V HN 0.425 nan 8.190 nan 0.000 0.446 500 T N 0.105 114.665 114.554 0.011 0.000 2.946 500 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 500 T C 1.790 176.488 174.700 -0.002 0.000 1.104 500 T CA 1.959 64.064 62.100 0.008 0.000 1.114 500 T CB -0.377 68.495 68.868 0.008 0.000 0.867 500 T HN 0.694 nan 8.240 nan 0.000 0.513 501 R N 0.866 121.358 120.500 -0.013 0.000 2.046 501 R HA 0.007 4.347 4.340 -0.000 0.000 0.223 501 R C 2.632 178.894 176.300 -0.063 0.000 1.179 501 R CA 1.276 57.355 56.100 -0.036 0.000 0.952 501 R CB -0.507 29.768 30.300 -0.043 0.000 0.843 501 R HN 0.144 nan 8.270 nan 0.000 0.439 502 S N 0.942 116.597 115.700 -0.075 0.000 2.393 502 S HA -0.312 4.158 4.470 -0.000 0.000 0.235 502 S C 2.052 176.631 174.600 -0.035 0.000 1.061 502 S CA 1.813 59.935 58.200 -0.129 0.000 1.129 502 S CB -0.644 62.552 63.200 -0.008 0.000 1.011 502 S HN 0.615 nan 8.310 nan 0.000 0.436 503 A N 0.780 123.626 122.820 0.044 0.000 1.917 503 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 503 A C 2.142 179.755 177.584 0.048 0.000 1.182 503 A CA 1.812 53.894 52.037 0.075 0.000 0.633 503 A CB -0.668 18.362 19.000 0.051 0.000 0.819 503 A HN 0.442 nan 8.150 nan 0.000 0.448 504 L N -0.474 120.754 121.223 0.007 0.000 2.156 504 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 504 L C 2.388 179.251 176.870 -0.011 0.000 1.095 504 L CA 1.987 56.827 54.840 0.000 0.000 0.770 504 L CB -0.551 41.502 42.059 -0.011 0.000 0.914 504 L HN 0.510 nan 8.230 nan 0.000 0.439 505 Q N -1.672 118.091 119.800 -0.061 0.000 1.984 505 Q HA -0.167 4.173 4.340 -0.000 0.000 0.196 505 Q C 2.192 178.181 176.000 -0.019 0.000 0.975 505 Q CA 1.657 57.402 55.803 -0.097 0.000 0.827 505 Q CB -0.498 28.101 28.738 -0.232 0.000 0.894 505 Q HN 0.413 nan 8.270 nan 0.000 0.438 506 Y N 1.015 121.316 120.300 0.002 0.000 2.193 506 Y HA -0.258 4.292 4.550 -0.000 0.000 0.285 506 Y C 2.442 178.343 175.900 0.001 0.000 1.166 506 Y CA 0.981 59.083 58.100 0.002 0.000 1.181 506 Y CB -0.968 37.493 38.460 0.002 0.000 0.976 506 Y HN 0.193 nan 8.280 nan 0.000 0.520 507 A N -0.126 122.791 122.820 0.161 0.000 1.902 507 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 507 A C 2.534 180.157 177.584 0.066 0.000 1.181 507 A CA 1.995 54.086 52.037 0.090 0.000 0.623 507 A CB -1.235 17.800 19.000 0.059 0.000 0.818 507 A HN 0.399 nan 8.150 nan 0.000 0.443 508 A N -0.641 122.212 122.820 0.054 0.000 1.858 508 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 508 A C 2.449 180.060 177.584 0.045 0.000 1.190 508 A CA 2.291 54.349 52.037 0.036 0.000 0.617 508 A CB -1.233 17.778 19.000 0.017 0.000 0.827 508 A HN 0.663 nan 8.150 nan 0.000 0.443 509 S N -0.564 115.177 115.700 0.069 0.000 2.427 509 S HA -0.226 4.244 4.470 -0.000 0.000 0.231 509 S C 1.901 176.535 174.600 0.056 0.000 1.045 509 S CA 2.406 60.651 58.200 0.075 0.000 1.154 509 S CB -0.955 62.328 63.200 0.138 0.000 1.093 509 S HN 0.407 nan 8.310 nan 0.000 0.422 510 V N 2.875 122.824 119.914 0.060 0.000 2.215 510 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 510 V C 2.928 179.037 176.094 0.025 0.000 1.054 510 V CA 2.488 64.809 62.300 0.035 0.000 1.012 510 V CB -1.713 30.127 31.823 0.028 0.000 0.639 510 V HN 0.756 nan 8.190 nan 0.000 0.448 511 A N 0.191 123.026 122.820 0.025 0.000 1.954 511 A HA -0.289 4.031 4.320 -0.000 0.000 0.222 511 A C 2.344 179.937 177.584 0.014 0.000 1.199 511 A CA 2.736 54.783 52.037 0.017 0.000 0.657 511 A CB -1.542 17.468 19.000 0.017 0.000 0.823 511 A HN 0.678 nan 8.150 nan 0.000 0.463 512 G N -0.182 108.628 108.800 0.017 0.000 2.639 512 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 512 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 512 G C 1.514 176.420 174.900 0.010 0.000 1.267 512 G CA 1.200 46.308 45.100 0.013 0.000 0.801 512 G HN 0.502 nan 8.290 nan 0.000 0.592 513 L N -0.190 121.041 121.223 0.013 0.000 2.030 513 L HA -0.280 4.060 4.340 -0.000 0.000 0.222 513 L C 3.154 180.026 176.870 0.004 0.000 1.082 513 L CA 1.984 56.830 54.840 0.009 0.000 0.785 513 L CB -0.621 41.444 42.059 0.012 0.000 0.895 513 L HN 0.271 nan 8.230 nan 0.000 0.439 514 M N -0.536 119.066 119.600 0.003 0.000 2.159 514 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 514 M C 2.229 178.527 176.300 -0.004 0.000 1.063 514 M CA 1.777 57.076 55.300 -0.002 0.000 1.110 514 M CB -0.378 32.221 32.600 -0.002 0.000 1.374 514 M HN 0.238 nan 8.290 nan 0.000 0.411 515 I N -0.376 120.194 120.570 -0.000 0.000 2.756 515 I HA -0.145 4.025 4.170 -0.000 0.000 0.262 515 I C 1.299 177.414 176.117 -0.003 0.000 1.225 515 I CA 0.990 62.290 61.300 -0.001 0.000 1.472 515 I CB -0.601 37.400 38.000 0.001 0.000 1.094 515 I HN 0.331 nan 8.210 nan 0.000 0.454 516 T N -2.508 112.044 114.554 -0.002 0.000 3.268 516 T HA 0.286 4.636 4.350 -0.000 0.000 0.258 516 T C 0.181 174.878 174.700 -0.005 0.000 0.966 516 T CA -0.417 61.680 62.100 -0.004 0.000 0.952 516 T CB -0.185 68.682 68.868 -0.002 0.000 1.132 516 T HN -0.106 nan 8.240 nan 0.000 0.536 517 T N 1.433 115.983 114.554 -0.006 0.000 2.841 517 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 517 T C 0.266 174.965 174.700 -0.002 0.000 1.000 517 T CA -0.648 61.449 62.100 -0.006 0.000 0.977 517 T CB 2.137 70.998 68.868 -0.012 0.000 0.979 517 T HN 0.097 nan 8.240 nan 0.000 0.446 518 E N 0.315 120.521 120.200 0.009 0.000 2.541 518 E HA 0.192 4.542 4.350 -0.000 0.000 0.219 518 E C -0.059 176.612 176.600 0.118 0.000 0.922 518 E CA 0.099 56.515 56.400 0.027 0.000 1.095 518 E CB 0.927 30.614 29.700 -0.021 0.000 1.112 518 E HN 0.550 nan 8.360 nan 0.000 0.516 519 C N 0.971 120.340 119.300 0.116 0.000 2.686 519 C HA 0.685 5.145 4.460 -0.000 0.000 0.318 519 C C -1.301 173.716 174.990 0.044 0.000 1.160 519 C CA -0.577 58.579 59.018 0.230 0.000 1.396 519 C CB 0.376 28.325 27.740 0.349 0.000 1.924 519 C HN 0.107 nan 8.230 nan 0.000 0.471 520 M N 5.330 124.882 119.600 -0.081 0.000 2.326 520 M HA 0.554 5.034 4.480 -0.000 0.000 0.306 520 M C -1.181 175.070 176.300 -0.082 0.000 1.054 520 M CA -0.622 54.576 55.300 -0.169 0.000 0.922 520 M CB 2.122 34.429 32.600 -0.487 0.000 1.632 520 M HN 0.363 nan 8.290 nan 0.000 0.436 521 V N 1.776 121.717 119.914 0.046 0.000 2.380 521 V HA 0.509 4.629 4.120 -0.000 0.000 0.286 521 V C -0.356 175.829 176.094 0.152 0.000 1.015 521 V CA -0.310 62.053 62.300 0.105 0.000 0.834 521 V CB 1.777 33.643 31.823 0.072 0.000 1.009 521 V HN 0.968 nan 8.190 nan 0.000 0.428 522 T N 2.453 117.137 114.554 0.217 0.000 2.907 522 T HA 0.482 4.832 4.350 -0.000 0.000 0.290 522 T C -0.492 174.222 174.700 0.024 0.000 1.066 522 T CA -0.477 61.696 62.100 0.122 0.000 1.012 522 T CB 1.769 70.714 68.868 0.128 0.000 1.184 522 T HN 0.636 nan 8.240 nan 0.000 0.522 523 D N 0.952 121.345 120.400 -0.012 0.000 2.346 523 D HA 0.291 4.931 4.640 -0.000 0.000 0.236 523 D C -0.259 175.994 176.300 -0.078 0.000 1.259 523 D CA -0.027 53.952 54.000 -0.034 0.000 0.898 523 D CB 0.259 41.040 40.800 -0.032 0.000 1.178 523 D HN 0.185 nan 8.370 nan 0.000 0.457 524 L N 2.183 123.365 121.223 -0.068 0.000 2.350 524 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 524 L C -1.775 175.039 176.870 -0.093 0.000 1.099 524 L CA -1.925 52.863 54.840 -0.087 0.000 0.808 524 L CB 0.855 42.879 42.059 -0.058 0.000 1.149 524 L HN 0.308 nan 8.230 nan 0.000 0.442 525 P HA -0.067 nan 4.420 nan 0.000 0.314 525 P C -0.822 176.436 177.300 -0.069 0.000 1.521 525 P CA 0.776 63.815 63.100 -0.102 0.000 0.754 525 P CB -0.225 31.406 31.700 -0.116 0.000 1.692 526 K N 0.000 120.366 120.400 -0.058 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 -0.037 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543