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 1xck_1_M DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 1.716 124.534 122.820 -0.003 0.000 2.546 3 A HA 0.504 4.824 4.320 -0.001 0.000 0.243 3 A C 0.318 177.901 177.584 -0.002 0.000 1.063 3 A CA 0.460 52.499 52.037 0.003 0.000 0.757 3 A CB -0.179 18.825 19.000 0.007 0.000 0.991 3 A HN 0.600 nan 8.150 nan 0.000 0.503 4 K N 1.317 121.719 120.400 0.004 0.000 2.168 4 K HA 0.445 4.765 4.320 -0.001 0.000 0.239 4 K C -0.999 175.616 176.600 0.024 0.000 0.999 4 K CA -0.680 55.606 56.287 -0.002 0.000 0.900 4 K CB 1.251 33.749 32.500 -0.004 0.000 1.111 4 K HN 0.719 nan 8.250 nan 0.000 0.452 5 D N 1.003 121.423 120.400 0.034 0.000 2.440 5 D HA 0.283 4.922 4.640 -0.001 0.000 0.239 5 D C -1.310 175.114 176.300 0.208 0.000 1.084 5 D CA -0.563 53.512 54.000 0.125 0.000 0.843 5 D CB 1.066 41.957 40.800 0.152 0.000 1.097 5 D HN 0.036 nan 8.370 nan 0.000 0.531 6 V N 4.699 124.688 119.914 0.126 0.000 2.398 6 V HA 0.431 4.551 4.120 -0.001 0.000 0.286 6 V C 0.385 176.382 176.094 -0.161 0.000 1.026 6 V CA -0.691 61.600 62.300 -0.016 0.000 0.868 6 V CB 1.607 33.358 31.823 -0.119 0.000 0.982 6 V HN 0.358 nan 8.190 nan 0.000 0.443 7 K N 3.577 123.782 120.400 -0.325 0.000 2.259 7 K HA 0.725 5.045 4.320 -0.001 0.000 0.249 7 K C -1.449 174.813 176.600 -0.563 0.000 0.942 7 K CA -0.501 55.519 56.287 -0.445 0.000 0.816 7 K CB 2.298 34.330 32.500 -0.779 0.000 1.155 7 K HN 0.427 nan 8.250 nan 0.000 0.428 8 F N -0.460 119.429 119.950 -0.102 0.000 2.618 8 F HA 0.351 4.877 4.527 -0.001 0.000 0.332 8 F C 1.435 177.197 175.800 -0.064 0.000 1.061 8 F CA 0.050 58.015 58.000 -0.058 0.000 0.974 8 F CB 1.211 40.189 39.000 -0.036 0.000 1.310 8 F HN 0.820 nan 8.300 nan 0.000 0.491 9 G N 1.378 110.298 108.800 0.199 0.000 2.667 9 G HA2 -0.464 3.496 3.960 -0.001 0.000 0.379 9 G HA3 -0.464 3.496 3.960 -0.001 0.000 0.379 9 G C 1.386 176.305 174.900 0.031 0.000 1.236 9 G CA 1.164 46.318 45.100 0.091 0.000 0.946 9 G HN 0.738 nan 8.290 nan 0.000 0.573 10 N N 0.541 119.253 118.700 0.020 0.000 2.104 10 N HA -0.163 4.576 4.740 -0.001 0.000 0.190 10 N C 1.907 177.401 175.510 -0.026 0.000 1.024 10 N CA 2.012 55.060 53.050 -0.002 0.000 0.853 10 N CB -0.351 38.135 38.487 -0.001 0.000 1.008 10 N HN 0.553 nan 8.380 nan 0.000 0.424 11 D N 0.405 120.784 120.400 -0.035 0.000 2.123 11 D HA -0.078 4.562 4.640 -0.001 0.000 0.196 11 D C 1.729 177.939 176.300 -0.151 0.000 0.992 11 D CA 1.334 55.283 54.000 -0.085 0.000 0.833 11 D CB -0.200 40.547 40.800 -0.088 0.000 0.954 11 D HN 0.337 nan 8.370 nan 0.000 0.455 12 A N 0.324 123.054 122.820 -0.149 0.000 1.897 12 A HA -0.092 4.228 4.320 -0.001 0.000 0.215 12 A C 2.341 179.875 177.584 -0.083 0.000 1.181 12 A CA 1.162 53.089 52.037 -0.184 0.000 0.620 12 A CB -0.402 18.512 19.000 -0.143 0.000 0.821 12 A HN 0.181 nan 8.150 nan 0.000 0.443 13 R N -0.259 120.215 120.500 -0.043 0.000 2.092 13 R HA -0.105 4.234 4.340 -0.001 0.000 0.231 13 R C 2.167 178.459 176.300 -0.014 0.000 1.119 13 R CA 1.558 57.649 56.100 -0.016 0.000 0.970 13 R CB -0.631 29.666 30.300 -0.005 0.000 0.864 13 R HN 0.590 nan 8.270 nan 0.000 0.440 14 V N -0.469 119.430 119.914 -0.025 0.000 2.427 14 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 14 V C 1.968 178.056 176.094 -0.010 0.000 1.051 14 V CA 1.386 63.676 62.300 -0.016 0.000 1.048 14 V CB -0.404 31.407 31.823 -0.021 0.000 0.666 14 V HN 0.062 nan 8.190 nan 0.000 0.456 15 K N 0.149 120.535 120.400 -0.024 0.000 2.009 15 K HA -0.099 4.220 4.320 -0.001 0.000 0.210 15 K C 2.275 178.902 176.600 0.044 0.000 1.049 15 K CA 2.326 58.620 56.287 0.012 0.000 0.929 15 K CB -0.642 31.857 32.500 -0.002 0.000 0.714 15 K HN 0.535 nan 8.250 nan 0.000 0.440 16 M N 0.251 119.876 119.600 0.040 0.000 2.080 16 M HA -0.210 4.269 4.480 -0.001 0.000 0.260 16 M C 2.260 178.577 176.300 0.028 0.000 1.068 16 M CA 1.227 56.553 55.300 0.044 0.000 1.109 16 M CB -0.399 32.223 32.600 0.037 0.000 1.342 16 M HN 0.049 nan 8.290 nan 0.000 0.405 17 L N 0.704 121.938 121.223 0.018 0.000 1.989 17 L HA -0.219 4.121 4.340 -0.001 0.000 0.211 17 L C 2.497 179.376 176.870 0.014 0.000 1.071 17 L CA 2.000 56.848 54.840 0.014 0.000 0.749 17 L CB -0.838 41.226 42.059 0.008 0.000 0.890 17 L HN 0.177 nan 8.230 nan 0.000 0.431 18 R N 0.082 120.591 120.500 0.015 0.000 2.117 18 R HA -0.111 4.228 4.340 -0.001 0.000 0.243 18 R C 2.110 178.421 176.300 0.018 0.000 1.143 18 R CA 1.891 58.000 56.100 0.015 0.000 0.968 18 R CB -1.475 28.835 30.300 0.017 0.000 0.863 18 R HN 0.492 nan 8.270 nan 0.000 0.444 19 G N -0.221 108.594 108.800 0.025 0.000 2.414 19 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.215 19 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.215 19 G C 1.454 176.363 174.900 0.015 0.000 1.188 19 G CA 1.039 46.153 45.100 0.023 0.000 0.783 19 G HN 0.384 nan 8.290 nan 0.000 0.537 20 V N -0.048 119.875 119.914 0.015 0.000 2.759 20 V HA -0.099 4.020 4.120 -0.001 0.000 0.256 20 V C 2.125 178.224 176.094 0.008 0.000 1.080 20 V CA 2.119 64.425 62.300 0.011 0.000 1.101 20 V CB -0.530 31.300 31.823 0.012 0.000 0.698 20 V HN 0.201 nan 8.190 nan 0.000 0.477 21 N N 0.989 119.694 118.700 0.009 0.000 2.142 21 N HA -0.081 4.658 4.740 -0.001 0.000 0.186 21 N C 1.847 177.360 175.510 0.005 0.000 1.023 21 N CA 1.821 54.875 53.050 0.007 0.000 0.852 21 N CB -0.429 38.062 38.487 0.007 0.000 0.998 21 N HN 0.512 nan 8.380 nan 0.000 0.424 22 V N 1.868 121.785 119.914 0.005 0.000 2.287 22 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 22 V C 2.457 178.552 176.094 0.001 0.000 1.053 22 V CA 1.235 63.536 62.300 0.003 0.000 1.027 22 V CB -0.647 31.178 31.823 0.003 0.000 0.646 22 V HN 0.197 nan 8.190 nan 0.000 0.447 23 L N 0.983 122.206 121.223 0.001 0.000 1.970 23 L HA -0.127 4.213 4.340 -0.001 0.000 0.212 23 L C 2.473 179.342 176.870 -0.001 0.000 1.071 23 L CA 2.607 57.445 54.840 -0.002 0.000 0.751 23 L CB -1.094 40.964 42.059 -0.002 0.000 0.889 23 L HN 0.210 nan 8.230 nan 0.000 0.432 24 A N -0.662 122.159 122.820 0.001 0.000 1.883 24 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 24 A C 2.013 179.598 177.584 0.002 0.000 1.186 24 A CA 2.016 54.054 52.037 0.002 0.000 0.624 24 A CB -1.054 17.949 19.000 0.005 0.000 0.822 24 A HN 0.612 nan 8.150 nan 0.000 0.444 25 D N 0.038 120.439 120.400 0.002 0.000 2.178 25 D HA -0.055 4.584 4.640 -0.001 0.000 0.201 25 D C 2.150 178.450 176.300 0.000 0.000 0.980 25 D CA 1.463 55.464 54.000 0.001 0.000 0.842 25 D CB -0.403 40.398 40.800 0.002 0.000 0.948 25 D HN 0.459 nan 8.370 nan 0.000 0.472 26 A N 0.451 123.270 122.820 -0.001 0.000 1.929 26 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 26 A C 2.491 180.073 177.584 -0.003 0.000 1.176 26 A CA 0.876 52.911 52.037 -0.003 0.000 0.628 26 A CB -0.469 18.529 19.000 -0.004 0.000 0.816 26 A HN 0.145 nan 8.150 nan 0.000 0.444 27 V N 1.039 120.951 119.914 -0.003 0.000 2.446 27 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 27 V C 2.471 178.564 176.094 -0.001 0.000 1.039 27 V CA 2.065 64.363 62.300 -0.003 0.000 1.045 27 V CB -0.529 31.291 31.823 -0.004 0.000 0.681 27 V HN 0.839 nan 8.190 nan 0.000 0.459 28 K N 1.351 121.751 120.400 0.000 0.000 2.362 28 K HA -0.084 4.236 4.320 -0.001 0.000 0.200 28 K C 1.754 178.356 176.600 0.002 0.000 1.046 28 K CA 1.622 57.910 56.287 0.002 0.000 0.952 28 K CB -0.578 31.924 32.500 0.003 0.000 0.753 28 K HN 0.473 nan 8.250 nan 0.000 0.466 29 V N -0.126 119.789 119.914 0.001 0.000 2.913 29 V HA -0.120 3.999 4.120 -0.001 0.000 0.260 29 V C 1.979 178.074 176.094 0.001 0.000 1.098 29 V CA 1.625 63.925 62.300 0.001 0.000 1.121 29 V CB -1.069 30.755 31.823 0.001 0.000 0.714 29 V HN 0.523 nan 8.190 nan 0.000 0.487 30 T N -3.221 111.333 114.554 0.000 0.000 3.206 30 T HA 0.252 4.601 4.350 -0.001 0.000 0.253 30 T C 1.228 175.928 174.700 0.000 0.000 1.042 30 T CA 0.302 62.402 62.100 -0.000 0.000 0.931 30 T CB 0.372 69.239 68.868 -0.002 0.000 1.029 30 T HN 0.312 nan 8.240 nan 0.000 0.564 31 L N 2.425 123.649 121.223 0.002 0.000 1.971 31 L HA 0.451 4.790 4.340 -0.001 0.000 0.208 31 L C 1.763 178.634 176.870 0.001 0.000 1.083 31 L CA 1.553 56.394 54.840 0.002 0.000 0.753 31 L CB -1.301 40.761 42.059 0.004 0.000 0.893 31 L HN 0.431 nan 8.230 nan 0.000 0.436 32 G N -0.820 107.982 108.800 0.004 0.000 2.744 32 G HA2 0.102 4.061 3.960 -0.001 0.000 0.257 32 G HA3 0.102 4.061 3.960 -0.001 0.000 0.257 32 G C -1.850 173.047 174.900 -0.006 0.000 1.244 32 G CA 0.052 45.153 45.100 0.001 0.000 0.916 32 G HN 0.420 nan 8.290 nan 0.000 0.564 33 P HA 0.057 nan 4.420 nan 0.000 0.242 33 P C 0.541 177.832 177.300 -0.015 0.000 1.197 33 P CA 0.780 63.868 63.100 -0.021 0.000 0.765 33 P CB 0.390 32.068 31.700 -0.037 0.000 0.936 34 K N 0.214 120.609 120.400 -0.008 0.000 2.514 34 K HA 0.251 4.570 4.320 -0.001 0.000 0.207 34 K C 1.018 177.618 176.600 0.000 0.000 1.035 34 K CA -0.245 56.040 56.287 -0.003 0.000 1.113 34 K CB 0.521 33.023 32.500 0.004 0.000 0.846 34 K HN 0.045 nan 8.250 nan 0.000 0.491 35 G N 1.519 110.318 108.800 -0.001 0.000 2.484 35 G HA2 0.054 4.013 3.960 -0.001 0.000 0.235 35 G HA3 0.054 4.013 3.960 -0.001 0.000 0.235 35 G C 0.226 175.125 174.900 -0.000 0.000 1.282 35 G CA -0.304 44.796 45.100 -0.000 0.000 0.857 35 G HN 0.062 nan 8.290 nan 0.000 0.571 36 R N 0.629 121.129 120.500 0.000 0.000 2.549 36 R HA 0.246 4.585 4.340 -0.001 0.000 0.259 36 R C -0.030 176.270 176.300 -0.001 0.000 1.095 36 R CA -0.795 55.305 56.100 0.000 0.000 1.148 36 R CB 0.321 30.621 30.300 0.001 0.000 1.181 36 R HN 0.644 nan 8.270 nan 0.000 0.571 37 N N -0.916 117.784 118.700 -0.001 0.000 2.473 37 N HA 0.351 5.090 4.740 -0.001 0.000 0.291 37 N C -1.015 174.494 175.510 -0.002 0.000 1.083 37 N CA -0.505 52.544 53.050 -0.001 0.000 0.951 37 N CB 1.565 40.051 38.487 -0.001 0.000 1.164 37 N HN 0.078 nan 8.380 nan 0.000 0.480 38 V N 1.931 121.843 119.914 -0.002 0.000 2.495 38 V HA 0.360 4.479 4.120 -0.001 0.000 0.298 38 V C -0.348 175.744 176.094 -0.004 0.000 1.031 38 V CA -0.825 61.473 62.300 -0.003 0.000 0.871 38 V CB 1.813 33.634 31.823 -0.004 0.000 0.988 38 V HN 0.330 nan 8.190 nan 0.000 0.432 39 V N 6.210 126.122 119.914 -0.004 0.000 2.350 39 V HA 0.428 4.547 4.120 -0.001 0.000 0.276 39 V C -0.155 175.936 176.094 -0.006 0.000 1.028 39 V CA -0.393 61.905 62.300 -0.004 0.000 0.860 39 V CB 1.225 33.046 31.823 -0.003 0.000 0.990 39 V HN 0.614 nan 8.190 nan 0.000 0.453 40 L N 3.950 125.169 121.223 -0.007 0.000 2.265 40 L HA 0.492 4.831 4.340 -0.001 0.000 0.289 40 L C -0.031 176.833 176.870 -0.011 0.000 1.033 40 L CA -0.505 54.329 54.840 -0.010 0.000 0.814 40 L CB 1.378 43.431 42.059 -0.010 0.000 1.203 40 L HN 0.536 nan 8.230 nan 0.000 0.423 41 D N 3.386 123.776 120.400 -0.016 0.000 2.372 41 D HA 0.219 4.859 4.640 -0.001 0.000 0.243 41 D C -0.600 175.683 176.300 -0.028 0.000 1.121 41 D CA 0.248 54.235 54.000 -0.020 0.000 0.898 41 D CB 0.888 41.672 40.800 -0.027 0.000 1.202 41 D HN 0.340 nan 8.370 nan 0.000 0.428 42 K N 1.091 121.475 120.400 -0.027 0.000 2.426 42 K HA 0.205 4.524 4.320 -0.001 0.000 0.254 42 K C 1.078 177.631 176.600 -0.078 0.000 0.936 42 K CA -0.550 55.716 56.287 -0.035 0.000 0.801 42 K CB 1.756 34.260 32.500 0.006 0.000 1.139 42 K HN 0.410 nan 8.250 nan 0.000 0.424 43 S N 2.043 117.637 115.700 -0.176 0.000 2.389 43 S HA -0.174 4.296 4.470 -0.001 0.000 0.231 43 S C 0.498 174.861 174.600 -0.395 0.000 1.052 43 S CA 1.157 59.139 58.200 -0.364 0.000 1.053 43 S CB -0.373 62.468 63.200 -0.598 0.000 0.886 43 S HN 0.401 nan 8.310 nan 0.000 0.456 44 F N 2.660 122.607 119.950 -0.004 0.000 2.402 44 F HA 0.692 5.218 4.527 -0.001 0.000 0.355 44 F C 1.153 176.951 175.800 -0.003 0.000 1.123 44 F CA -0.164 57.834 58.000 -0.003 0.000 1.021 44 F CB 1.090 40.088 39.000 -0.003 0.000 1.160 44 F HN 0.548 nan 8.300 nan 0.000 0.451 45 G N 1.506 110.423 108.800 0.195 0.000 2.512 45 G HA2 0.274 4.233 3.960 -0.001 0.000 0.210 45 G HA3 0.274 4.233 3.960 -0.001 0.000 0.210 45 G C -0.910 174.027 174.900 0.061 0.000 1.295 45 G CA -0.590 44.573 45.100 0.106 0.000 0.934 45 G HN 0.988 nan 8.290 nan 0.000 0.554 46 A N 0.763 123.609 122.820 0.043 0.000 2.322 46 A HA 0.815 5.135 4.320 -0.001 0.000 0.269 46 A C -1.524 176.072 177.584 0.021 0.000 1.094 46 A CA -0.351 51.702 52.037 0.026 0.000 0.807 46 A CB 0.008 19.020 19.000 0.021 0.000 1.047 46 A HN 0.706 nan 8.150 nan 0.000 0.487 47 P HA 0.248 nan 4.420 nan 0.000 0.271 47 P C -0.310 176.994 177.300 0.007 0.000 1.233 47 P CA 0.057 63.160 63.100 0.006 0.000 0.789 47 P CB 0.402 32.102 31.700 0.001 0.000 0.951 48 T N 1.753 116.309 114.554 0.004 0.000 2.799 48 T HA 0.487 4.837 4.350 -0.001 0.000 0.286 48 T C 0.199 174.899 174.700 0.001 0.000 0.973 48 T CA -0.238 61.864 62.100 0.004 0.000 1.035 48 T CB 0.003 68.873 68.868 0.003 0.000 0.932 48 T HN 0.167 nan 8.240 nan 0.000 0.469 49 I N 2.846 123.417 120.570 0.002 0.000 2.354 49 I HA 0.505 4.674 4.170 -0.001 0.000 0.292 49 I C 0.474 176.591 176.117 -0.000 0.000 0.989 49 I CA -0.466 60.834 61.300 0.000 0.000 1.188 49 I CB 1.743 39.744 38.000 0.001 0.000 1.342 49 I HN 0.514 nan 8.210 nan 0.000 0.457 50 T N 4.367 118.921 114.554 -0.001 0.000 2.864 50 T HA 0.413 4.763 4.350 -0.001 0.000 0.299 50 T C -0.069 174.629 174.700 -0.002 0.000 1.166 50 T CA -0.574 61.526 62.100 -0.002 0.000 1.007 50 T CB 1.840 70.707 68.868 -0.002 0.000 1.219 50 T HN 0.669 nan 8.240 nan 0.000 0.506 51 K N 0.983 121.382 120.400 -0.002 0.000 2.447 51 K HA 0.194 4.514 4.320 -0.001 0.000 0.205 51 K C -0.694 175.905 176.600 -0.002 0.000 1.059 51 K CA -0.227 56.058 56.287 -0.002 0.000 1.065 51 K CB 0.552 33.050 32.500 -0.002 0.000 0.885 51 K HN 0.485 nan 8.250 nan 0.000 0.545 52 D N 0.312 120.711 120.400 -0.002 0.000 2.365 52 D HA 0.094 4.734 4.640 -0.001 0.000 0.237 52 D C 1.235 177.532 176.300 -0.005 0.000 1.190 52 D CA -0.097 53.901 54.000 -0.003 0.000 0.867 52 D CB 1.174 41.972 40.800 -0.002 0.000 1.050 52 D HN 0.195 nan 8.370 nan 0.000 0.491 53 G N 2.469 111.267 108.800 -0.005 0.000 2.462 53 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 53 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 53 G C 1.430 176.324 174.900 -0.010 0.000 1.121 53 G CA 0.714 45.810 45.100 -0.007 0.000 0.758 53 G HN 0.489 nan 8.290 nan 0.000 0.559 54 V N 0.712 120.619 119.914 -0.011 0.000 2.453 54 V HA -0.134 3.986 4.120 -0.001 0.000 0.247 54 V C 3.018 179.102 176.094 -0.016 0.000 1.048 54 V CA 2.007 64.297 62.300 -0.016 0.000 1.049 54 V CB -0.331 31.482 31.823 -0.016 0.000 0.672 54 V HN 0.348 nan 8.190 nan 0.000 0.457 55 S N 0.100 115.793 115.700 -0.012 0.000 2.356 55 S HA -0.158 4.312 4.470 -0.001 0.000 0.223 55 S C 2.057 176.650 174.600 -0.013 0.000 1.032 55 S CA 1.521 59.714 58.200 -0.011 0.000 1.005 55 S CB -0.198 62.997 63.200 -0.008 0.000 0.867 55 S HN 0.374 nan 8.310 nan 0.000 0.449 56 V N 2.239 122.147 119.914 -0.011 0.000 2.233 56 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 56 V C 2.703 178.788 176.094 -0.014 0.000 1.050 56 V CA 1.812 64.105 62.300 -0.012 0.000 1.010 56 V CB -1.340 30.478 31.823 -0.009 0.000 0.637 56 V HN 0.544 nan 8.190 nan 0.000 0.444 57 A N -0.360 122.451 122.820 -0.015 0.000 1.948 57 A HA -0.316 4.003 4.320 -0.001 0.000 0.220 57 A C 2.410 179.982 177.584 -0.021 0.000 1.177 57 A CA 2.285 54.312 52.037 -0.018 0.000 0.636 57 A CB -0.695 18.293 19.000 -0.020 0.000 0.815 57 A HN 0.467 nan 8.150 nan 0.000 0.449 58 R N -0.621 119.866 120.500 -0.023 0.000 2.105 58 R HA -0.154 4.185 4.340 -0.001 0.000 0.239 58 R C 1.536 177.820 176.300 -0.026 0.000 1.135 58 R CA 1.602 57.686 56.100 -0.026 0.000 0.967 58 R CB -0.141 30.144 30.300 -0.026 0.000 0.861 58 R HN 0.509 nan 8.270 nan 0.000 0.442 59 E N 0.166 120.353 120.200 -0.022 0.000 2.358 59 E HA -0.027 4.322 4.350 -0.001 0.000 0.195 59 E C 0.354 176.941 176.600 -0.021 0.000 1.010 59 E CA 0.229 56.615 56.400 -0.022 0.000 0.856 59 E CB 0.138 29.826 29.700 -0.020 0.000 0.795 59 E HN 0.220 nan 8.360 nan 0.000 0.504 60 I N 2.027 122.585 120.570 -0.020 0.000 2.452 60 I HA 0.114 4.284 4.170 -0.001 0.000 0.287 60 I C 0.378 176.483 176.117 -0.019 0.000 1.079 60 I CA 0.267 61.556 61.300 -0.017 0.000 1.387 60 I CB 0.022 38.013 38.000 -0.014 0.000 1.404 60 I HN -0.051 nan 8.210 nan 0.000 0.522 61 E N 7.015 127.203 120.200 -0.019 0.000 2.311 61 E HA 0.446 4.796 4.350 -0.001 0.000 0.281 61 E C -1.685 174.904 176.600 -0.018 0.000 0.905 61 E CA -0.572 55.816 56.400 -0.021 0.000 0.778 61 E CB 1.840 31.525 29.700 -0.026 0.000 1.240 61 E HN 0.441 nan 8.360 nan 0.000 0.410 62 L N 3.470 124.684 121.223 -0.016 0.000 2.343 62 L HA 0.374 4.714 4.340 -0.001 0.000 0.275 62 L C 1.540 178.400 176.870 -0.015 0.000 1.056 62 L CA -0.414 54.420 54.840 -0.011 0.000 0.804 62 L CB 1.421 43.480 42.059 -0.001 0.000 1.203 62 L HN 0.749 nan 8.230 nan 0.000 0.440 63 E N 1.007 121.201 120.200 -0.011 0.000 2.072 63 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 63 E C 0.566 177.158 176.600 -0.013 0.000 0.985 63 E CA 0.566 56.958 56.400 -0.014 0.000 0.801 63 E CB 0.253 29.948 29.700 -0.008 0.000 0.750 63 E HN 0.676 nan 8.360 nan 0.000 0.452 64 D N 0.695 121.098 120.400 0.006 0.000 2.382 64 D HA -0.069 4.571 4.640 -0.001 0.000 0.259 64 D C 0.674 176.970 176.300 -0.007 0.000 1.224 64 D CA 0.026 54.041 54.000 0.026 0.000 0.894 64 D CB 0.884 41.724 40.800 0.066 0.000 1.127 64 D HN 0.065 nan 8.370 nan 0.000 0.487 65 K N 3.655 124.006 120.400 -0.082 0.000 2.074 65 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 65 K C 1.911 178.364 176.600 -0.245 0.000 1.048 65 K CA 1.258 57.415 56.287 -0.216 0.000 0.926 65 K CB -0.380 31.896 32.500 -0.374 0.000 0.713 65 K HN 0.490 nan 8.250 nan 0.000 0.444 66 F N 1.770 121.705 119.950 -0.025 0.000 2.113 66 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 66 F C 2.472 178.259 175.800 -0.022 0.000 1.103 66 F CA 1.134 59.118 58.000 -0.027 0.000 1.248 66 F CB -0.536 38.447 39.000 -0.029 0.000 0.999 66 F HN 0.108 nan 8.300 nan 0.000 0.475 67 E N -0.059 120.242 120.200 0.169 0.000 2.118 67 E HA -0.267 4.083 4.350 -0.001 0.000 0.195 67 E C 1.859 178.485 176.600 0.043 0.000 0.992 67 E CA 1.362 57.815 56.400 0.088 0.000 0.804 67 E CB -0.351 29.387 29.700 0.063 0.000 0.741 67 E HN 0.325 nan 8.360 nan 0.000 0.458 68 N N 0.554 119.264 118.700 0.017 0.000 2.120 68 N HA -0.152 4.587 4.740 -0.001 0.000 0.188 68 N C 1.747 177.251 175.510 -0.011 0.000 1.024 68 N CA 1.287 54.331 53.050 -0.009 0.000 0.852 68 N CB 0.009 38.475 38.487 -0.035 0.000 1.003 68 N HN 0.067 nan 8.380 nan 0.000 0.424 69 M N -0.708 118.883 119.600 -0.014 0.000 2.149 69 M HA -0.056 4.423 4.480 -0.001 0.000 0.261 69 M C 2.160 178.467 176.300 0.012 0.000 1.064 69 M CA 1.656 56.950 55.300 -0.010 0.000 1.102 69 M CB -0.548 32.047 32.600 -0.009 0.000 1.369 69 M HN 0.327 nan 8.290 nan 0.000 0.408 70 G N -0.038 108.781 108.800 0.031 0.000 2.433 70 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 70 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 70 G C 1.636 176.545 174.900 0.015 0.000 1.186 70 G CA 0.997 46.114 45.100 0.029 0.000 0.779 70 G HN 0.537 nan 8.290 nan 0.000 0.543 71 A N 0.042 122.868 122.820 0.010 0.000 1.877 71 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 71 A C 2.411 179.991 177.584 -0.006 0.000 1.186 71 A CA 2.053 54.091 52.037 0.002 0.000 0.620 71 A CB -0.425 18.574 19.000 -0.001 0.000 0.822 71 A HN 0.311 nan 8.150 nan 0.000 0.443 72 Q N -0.644 119.150 119.800 -0.010 0.000 2.170 72 Q HA -0.132 4.207 4.340 -0.001 0.000 0.203 72 Q C 2.134 178.126 176.000 -0.013 0.000 0.976 72 Q CA 1.528 57.321 55.803 -0.016 0.000 0.858 72 Q CB -0.543 28.182 28.738 -0.021 0.000 0.907 72 Q HN 0.781 nan 8.270 nan 0.000 0.433 73 M N -0.223 119.374 119.600 -0.005 0.000 2.067 73 M HA -0.146 4.333 4.480 -0.001 0.000 0.260 73 M C 2.285 178.585 176.300 -0.001 0.000 1.069 73 M CA 1.619 56.919 55.300 -0.001 0.000 1.117 73 M CB -0.417 32.188 32.600 0.009 0.000 1.334 73 M HN 0.189 nan 8.290 nan 0.000 0.407 74 V N -0.633 119.282 119.914 0.002 0.000 2.667 74 V HA -0.193 3.926 4.120 -0.001 0.000 0.252 74 V C 2.020 178.106 176.094 -0.013 0.000 1.065 74 V CA 1.852 64.154 62.300 0.003 0.000 1.083 74 V CB -0.614 31.215 31.823 0.009 0.000 0.692 74 V HN 0.449 nan 8.190 nan 0.000 0.468 75 K N 0.054 120.443 120.400 -0.017 0.000 2.063 75 K HA -0.228 4.092 4.320 -0.001 0.000 0.208 75 K C 2.313 178.886 176.600 -0.045 0.000 1.048 75 K CA 2.140 58.410 56.287 -0.028 0.000 0.928 75 K CB -0.274 32.211 32.500 -0.025 0.000 0.713 75 K HN 0.707 nan 8.250 nan 0.000 0.442 76 E N -0.000 120.175 120.200 -0.042 0.000 2.015 76 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 76 E C 1.990 178.533 176.600 -0.095 0.000 0.991 76 E CA 1.728 58.094 56.400 -0.058 0.000 0.802 76 E CB -0.013 29.664 29.700 -0.039 0.000 0.759 76 E HN 0.291 nan 8.360 nan 0.000 0.447 77 V N -0.831 119.038 119.914 -0.075 0.000 2.626 77 V HA -0.091 4.029 4.120 -0.001 0.000 0.252 77 V C 2.196 178.159 176.094 -0.218 0.000 1.067 77 V CA 1.751 63.976 62.300 -0.124 0.000 1.081 77 V CB -0.696 31.145 31.823 0.030 0.000 0.686 77 V HN 0.285 nan 8.190 nan 0.000 0.468 78 A N 1.586 124.338 122.820 -0.113 0.000 1.933 78 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 78 A C 2.638 180.127 177.584 -0.159 0.000 1.175 78 A CA 2.420 54.398 52.037 -0.098 0.000 0.628 78 A CB -1.044 17.930 19.000 -0.043 0.000 0.814 78 A HN 1.007 nan 8.150 nan 0.000 0.444 79 S N 0.107 115.712 115.700 -0.158 0.000 2.399 79 S HA -0.190 4.279 4.470 -0.001 0.000 0.231 79 S C 1.799 176.260 174.600 -0.233 0.000 1.022 79 S CA 1.483 59.592 58.200 -0.152 0.000 0.983 79 S CB -0.445 62.687 63.200 -0.114 0.000 0.803 79 S HN 0.598 nan 8.310 nan 0.000 0.480 80 K N 1.444 121.611 120.400 -0.388 0.000 2.211 80 K HA 0.001 4.321 4.320 -0.001 0.000 0.204 80 K C 2.453 178.716 176.600 -0.561 0.000 1.047 80 K CA 1.151 57.099 56.287 -0.564 0.000 0.935 80 K CB -0.539 31.370 32.500 -0.986 0.000 0.728 80 K HN 0.560 nan 8.250 nan 0.000 0.452 81 A N 1.666 124.194 122.820 -0.487 0.000 1.873 81 A HA -0.206 4.113 4.320 -0.001 0.000 0.215 81 A C 1.924 179.471 177.584 -0.063 0.000 1.186 81 A CA 1.801 53.770 52.037 -0.114 0.000 0.616 81 A CB -0.606 18.403 19.000 0.016 0.000 0.823 81 A HN 0.266 nan 8.150 nan 0.000 0.442 82 N N 0.165 118.808 118.700 -0.095 0.000 2.120 82 N HA -0.138 4.602 4.740 -0.001 0.000 0.188 82 N C 1.185 176.636 175.510 -0.097 0.000 1.024 82 N CA 1.601 54.606 53.050 -0.075 0.000 0.852 82 N CB -0.182 38.262 38.487 -0.071 0.000 1.003 82 N HN 0.418 nan 8.380 nan 0.000 0.424 83 D N -0.231 120.098 120.400 -0.117 0.000 2.117 83 D HA -0.109 4.531 4.640 -0.001 0.000 0.197 83 D C 1.684 177.927 176.300 -0.096 0.000 0.987 83 D CA 1.219 55.149 54.000 -0.118 0.000 0.829 83 D CB -0.373 40.356 40.800 -0.119 0.000 0.961 83 D HN 0.375 nan 8.370 nan 0.000 0.460 84 A N 0.343 123.134 122.820 -0.050 0.000 1.930 84 A HA 0.232 4.552 4.320 -0.001 0.000 0.215 84 A C 1.997 179.579 177.584 -0.004 0.000 1.176 84 A CA 1.694 53.735 52.037 0.006 0.000 0.632 84 A CB 0.025 19.091 19.000 0.110 0.000 0.819 84 A HN 0.230 nan 8.150 nan 0.000 0.445 85 A N -2.800 120.015 122.820 -0.009 0.000 2.508 85 A HA 0.476 4.796 4.320 -0.001 0.000 0.250 85 A C 1.536 179.109 177.584 -0.018 0.000 1.208 85 A CA 0.971 53.008 52.037 -0.001 0.000 0.960 85 A CB -0.296 18.721 19.000 0.029 0.000 1.099 85 A HN 1.821 nan 8.150 nan 0.000 0.542 86 G N -0.562 108.195 108.800 -0.072 0.000 2.162 86 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.260 86 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.260 86 G C -0.140 174.754 174.900 -0.009 0.000 0.976 86 G CA 0.800 45.855 45.100 -0.075 0.000 0.655 86 G HN 0.969 nan 8.290 nan 0.000 0.533 87 D N -3.189 117.207 120.400 -0.007 0.000 2.755 87 D HA 0.574 5.213 4.640 -0.001 0.000 0.277 87 D C 0.790 177.095 176.300 0.008 0.000 1.261 87 D CA 1.428 55.431 54.000 0.005 0.000 0.759 87 D CB 0.217 41.028 40.800 0.018 0.000 1.279 87 D HN 1.413 nan 8.370 nan 0.000 0.420 88 G N -0.088 108.717 108.800 0.009 0.000 2.163 88 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.213 88 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.213 88 G C 1.075 175.981 174.900 0.010 0.000 0.991 88 G CA 0.743 45.853 45.100 0.017 0.000 0.653 88 G HN 0.562 nan 8.290 nan 0.000 0.518 89 T N 0.634 115.184 114.554 -0.007 0.000 2.777 89 T HA -0.046 4.303 4.350 -0.001 0.000 0.266 89 T C 2.612 177.307 174.700 -0.008 0.000 1.040 89 T CA 2.483 64.572 62.100 -0.019 0.000 1.141 89 T CB -0.269 68.578 68.868 -0.035 0.000 0.868 89 T HN 0.431 nan 8.240 nan 0.000 0.444 90 T N 1.365 115.917 114.554 -0.004 0.000 2.737 90 T HA -0.093 4.256 4.350 -0.001 0.000 0.265 90 T C 2.218 176.922 174.700 0.006 0.000 1.038 90 T CA 1.629 63.728 62.100 -0.000 0.000 1.144 90 T CB -0.652 68.216 68.868 -0.000 0.000 0.866 90 T HN 0.383 nan 8.240 nan 0.000 0.434 91 T N 2.158 116.718 114.554 0.011 0.000 2.684 91 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 91 T C 2.382 177.095 174.700 0.023 0.000 1.036 91 T CA 1.299 63.408 62.100 0.017 0.000 1.148 91 T CB -0.623 68.257 68.868 0.020 0.000 0.863 91 T HN 0.436 nan 8.240 nan 0.000 0.436 92 A N 1.206 124.043 122.820 0.029 0.000 1.940 92 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 92 A C 2.558 180.160 177.584 0.031 0.000 1.176 92 A CA 2.210 54.272 52.037 0.043 0.000 0.631 92 A CB -1.256 17.777 19.000 0.056 0.000 0.814 92 A HN 0.500 nan 8.150 nan 0.000 0.446 93 T N -0.347 114.217 114.554 0.016 0.000 2.701 93 T HA -0.136 4.213 4.350 -0.001 0.000 0.263 93 T C 2.031 176.739 174.700 0.013 0.000 1.040 93 T CA 1.973 64.079 62.100 0.011 0.000 1.147 93 T CB -0.819 68.050 68.868 0.002 0.000 0.865 93 T HN 0.690 nan 8.240 nan 0.000 0.426 94 V N 0.970 120.891 119.914 0.012 0.000 2.490 94 V HA -0.075 4.044 4.120 -0.001 0.000 0.250 94 V C 2.191 178.293 176.094 0.014 0.000 1.061 94 V CA 1.494 63.800 62.300 0.011 0.000 1.064 94 V CB -0.986 30.843 31.823 0.010 0.000 0.670 94 V HN 0.475 nan 8.190 nan 0.000 0.461 95 L N 0.466 121.700 121.223 0.018 0.000 2.017 95 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 95 L C 3.072 179.954 176.870 0.021 0.000 1.073 95 L CA 1.793 56.645 54.840 0.020 0.000 0.745 95 L CB -0.950 41.125 42.059 0.026 0.000 0.894 95 L HN 0.460 nan 8.230 nan 0.000 0.432 96 A N -0.554 122.281 122.820 0.025 0.000 1.908 96 A HA -0.307 4.013 4.320 -0.001 0.000 0.218 96 A C 2.246 179.841 177.584 0.018 0.000 1.181 96 A CA 1.995 54.047 52.037 0.025 0.000 0.627 96 A CB -0.652 18.365 19.000 0.028 0.000 0.818 96 A HN 0.522 nan 8.150 nan 0.000 0.445 97 Q N -0.503 119.306 119.800 0.015 0.000 2.061 97 Q HA -0.165 4.175 4.340 -0.001 0.000 0.204 97 Q C 2.209 178.215 176.000 0.011 0.000 0.984 97 Q CA 1.808 57.618 55.803 0.012 0.000 0.846 97 Q CB -0.375 28.369 28.738 0.010 0.000 0.902 97 Q HN 0.602 nan 8.270 nan 0.000 0.421 98 A N 0.983 123.810 122.820 0.011 0.000 1.865 98 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 98 A C 2.027 179.617 177.584 0.010 0.000 1.191 98 A CA 1.667 53.710 52.037 0.010 0.000 0.623 98 A CB -0.837 18.169 19.000 0.010 0.000 0.826 98 A HN 0.498 nan 8.150 nan 0.000 0.444 99 I N -0.309 120.268 120.570 0.012 0.000 2.163 99 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 99 I C 2.369 178.492 176.117 0.011 0.000 1.085 99 I CA 1.521 62.828 61.300 0.012 0.000 1.347 99 I CB -0.470 37.539 38.000 0.014 0.000 1.044 99 I HN 0.308 nan 8.210 nan 0.000 0.408 100 I N 0.432 121.010 120.570 0.013 0.000 2.208 100 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 100 I C 2.607 178.730 176.117 0.010 0.000 1.097 100 I CA 1.676 62.983 61.300 0.012 0.000 1.363 100 I CB -0.663 37.345 38.000 0.014 0.000 1.051 100 I HN 0.280 nan 8.210 nan 0.000 0.413 101 T N 0.161 114.721 114.554 0.009 0.000 2.643 101 T HA -0.163 4.186 4.350 -0.001 0.000 0.264 101 T C 1.839 176.543 174.700 0.006 0.000 1.045 101 T CA 1.308 63.412 62.100 0.007 0.000 1.155 101 T CB -0.192 68.680 68.868 0.006 0.000 0.863 101 T HN 0.274 nan 8.240 nan 0.000 0.420 102 E N 0.711 120.915 120.200 0.006 0.000 2.106 102 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 102 E C 2.529 179.132 176.600 0.006 0.000 0.984 102 E CA 1.051 57.455 56.400 0.006 0.000 0.806 102 E CB -0.893 28.811 29.700 0.006 0.000 0.750 102 E HN 0.569 nan 8.360 nan 0.000 0.458 103 G N 1.311 110.115 108.800 0.007 0.000 2.421 103 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.216 103 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.216 103 G C 1.719 176.623 174.900 0.007 0.000 1.171 103 G CA 0.527 45.632 45.100 0.007 0.000 0.775 103 G HN 0.194 nan 8.290 nan 0.000 0.543 104 L N -0.170 121.057 121.223 0.007 0.000 2.141 104 L HA -0.026 4.314 4.340 -0.001 0.000 0.209 104 L C 2.935 179.807 176.870 0.004 0.000 1.094 104 L CA 0.938 55.781 54.840 0.006 0.000 0.763 104 L CB -0.323 41.739 42.059 0.006 0.000 0.908 104 L HN 0.193 nan 8.230 nan 0.000 0.437 105 K N 0.263 120.665 120.400 0.004 0.000 2.032 105 K HA -0.187 4.133 4.320 -0.001 0.000 0.209 105 K C 2.250 178.852 176.600 0.003 0.000 1.048 105 K CA 1.540 57.829 56.287 0.003 0.000 0.927 105 K CB -0.202 32.300 32.500 0.003 0.000 0.712 105 K HN 0.283 nan 8.250 nan 0.000 0.441 106 A N 0.911 123.734 122.820 0.004 0.000 1.902 106 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 106 A C 2.333 179.919 177.584 0.004 0.000 1.181 106 A CA 1.539 53.578 52.037 0.004 0.000 0.623 106 A CB -0.696 18.306 19.000 0.004 0.000 0.818 106 A HN 0.101 nan 8.150 nan 0.000 0.443 107 V N -0.141 119.776 119.914 0.005 0.000 2.332 107 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 107 V C 3.016 179.113 176.094 0.004 0.000 1.055 107 V CA 1.998 64.302 62.300 0.006 0.000 1.038 107 V CB -1.195 30.633 31.823 0.007 0.000 0.651 107 V HN 0.623 nan 8.190 nan 0.000 0.450 108 A N -0.125 122.697 122.820 0.003 0.000 1.969 108 A HA 0.023 4.342 4.320 -0.001 0.000 0.218 108 A C 2.253 179.838 177.584 0.001 0.000 1.169 108 A CA 1.553 53.591 52.037 0.002 0.000 0.635 108 A CB -0.561 18.440 19.000 0.001 0.000 0.810 108 A HN 0.587 nan 8.150 nan 0.000 0.445 109 A N -1.641 121.179 122.820 0.001 0.000 2.239 109 A HA 0.383 4.702 4.320 -0.001 0.000 0.209 109 A C 1.755 179.339 177.584 0.001 0.000 1.171 109 A CA 1.269 53.306 52.037 0.001 0.000 0.768 109 A CB -0.991 18.010 19.000 0.001 0.000 0.790 109 A HN 1.864 nan 8.150 nan 0.000 0.478 110 G N -1.886 106.914 108.800 0.001 0.000 2.141 110 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.231 110 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.231 110 G C 0.158 175.059 174.900 0.002 0.000 0.984 110 G CA 0.252 45.352 45.100 0.001 0.000 0.660 110 G HN 0.397 nan 8.290 nan 0.000 0.525 111 M N 0.583 120.185 119.600 0.003 0.000 2.241 111 M HA 0.228 4.707 4.480 -0.001 0.000 0.335 111 M C 0.748 177.051 176.300 0.004 0.000 1.122 111 M CA -0.519 54.783 55.300 0.003 0.000 1.164 111 M CB 0.481 33.083 32.600 0.003 0.000 1.459 111 M HN 0.173 nan 8.290 nan 0.000 0.461 112 N N 2.670 121.372 118.700 0.004 0.000 2.431 112 N HA 0.075 4.814 4.740 -0.001 0.000 0.265 112 N C -2.114 173.400 175.510 0.006 0.000 1.184 112 N CA -1.175 51.878 53.050 0.005 0.000 0.943 112 N CB 1.152 39.642 38.487 0.004 0.000 1.080 112 N HN 0.290 nan 8.380 nan 0.000 0.477 113 P HA -0.142 nan 4.420 nan 0.000 0.215 113 P C 1.674 178.979 177.300 0.009 0.000 1.157 113 P CA 1.414 64.519 63.100 0.010 0.000 0.874 113 P CB 0.198 31.906 31.700 0.013 0.000 0.790 114 M N -0.873 118.732 119.600 0.009 0.000 2.159 114 M HA -0.135 4.345 4.480 -0.001 0.000 0.263 114 M C 1.476 177.779 176.300 0.006 0.000 1.063 114 M CA 1.627 56.931 55.300 0.007 0.000 1.110 114 M CB -1.686 30.918 32.600 0.007 0.000 1.374 114 M HN 0.005 nan 8.290 nan 0.000 0.411 115 D N 0.292 120.695 120.400 0.005 0.000 2.149 115 D HA -0.010 4.630 4.640 -0.001 0.000 0.201 115 D C 2.319 178.621 176.300 0.004 0.000 0.972 115 D CA 0.849 54.851 54.000 0.004 0.000 0.835 115 D CB -0.027 40.775 40.800 0.003 0.000 0.966 115 D HN 0.326 nan 8.370 nan 0.000 0.476 116 L N 0.899 122.124 121.223 0.005 0.000 2.046 116 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 116 L C 2.550 179.423 176.870 0.005 0.000 1.077 116 L CA 1.124 55.967 54.840 0.005 0.000 0.747 116 L CB -0.302 41.760 42.059 0.006 0.000 0.896 116 L HN -0.021 nan 8.230 nan 0.000 0.432 117 K N 0.454 120.857 120.400 0.005 0.000 2.025 117 K HA -0.224 4.095 4.320 -0.001 0.000 0.207 117 K C 2.341 178.943 176.600 0.002 0.000 1.049 117 K CA 1.324 57.614 56.287 0.005 0.000 0.933 117 K CB -0.033 32.471 32.500 0.006 0.000 0.714 117 K HN 0.069 nan 8.250 nan 0.000 0.438 118 R N -0.203 120.298 120.500 0.002 0.000 2.105 118 R HA -0.106 4.234 4.340 -0.001 0.000 0.239 118 R C 2.276 178.576 176.300 -0.000 0.000 1.135 118 R CA 1.731 57.831 56.100 0.000 0.000 0.967 118 R CB -0.495 29.806 30.300 0.001 0.000 0.861 118 R HN 0.424 nan 8.270 nan 0.000 0.442 119 G N 0.502 109.303 108.800 0.001 0.000 2.402 119 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.216 119 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.216 119 G C 1.419 176.319 174.900 0.000 0.000 1.162 119 G CA 0.685 45.785 45.100 0.001 0.000 0.777 119 G HN 0.248 nan 8.290 nan 0.000 0.539 120 I N 0.995 121.566 120.570 0.001 0.000 2.179 120 I HA -0.135 4.035 4.170 -0.001 0.000 0.242 120 I C 2.285 178.400 176.117 -0.002 0.000 1.088 120 I CA 1.180 62.480 61.300 0.001 0.000 1.357 120 I CB -0.171 37.831 38.000 0.003 0.000 1.051 120 I HN 0.045 nan 8.210 nan 0.000 0.409 121 D N 0.853 121.250 120.400 -0.004 0.000 2.117 121 D HA -0.218 4.421 4.640 -0.001 0.000 0.197 121 D C 2.057 178.352 176.300 -0.009 0.000 0.987 121 D CA 1.231 55.225 54.000 -0.009 0.000 0.829 121 D CB -0.224 40.570 40.800 -0.009 0.000 0.961 121 D HN 0.277 nan 8.370 nan 0.000 0.460 122 K N 0.732 121.128 120.400 -0.006 0.000 2.032 122 K HA -0.132 4.188 4.320 -0.001 0.000 0.209 122 K C 2.059 178.656 176.600 -0.005 0.000 1.048 122 K CA 1.389 57.673 56.287 -0.005 0.000 0.927 122 K CB -0.079 32.420 32.500 -0.003 0.000 0.712 122 K HN 0.019 nan 8.250 nan 0.000 0.441 123 A N 0.639 123.457 122.820 -0.003 0.000 1.883 123 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 123 A C 2.269 179.851 177.584 -0.003 0.000 1.186 123 A CA 1.940 53.976 52.037 -0.001 0.000 0.624 123 A CB -0.820 18.180 19.000 0.001 0.000 0.822 123 A HN 0.193 nan 8.150 nan 0.000 0.444 124 V N -0.272 119.638 119.914 -0.007 0.000 2.295 124 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 124 V C 2.756 178.841 176.094 -0.015 0.000 1.049 124 V CA 2.506 64.799 62.300 -0.011 0.000 1.024 124 V CB -1.368 30.444 31.823 -0.018 0.000 0.648 124 V HN 0.630 nan 8.190 nan 0.000 0.447 125 T N 0.564 115.108 114.554 -0.016 0.000 2.684 125 T HA -0.226 4.123 4.350 -0.001 0.000 0.267 125 T C 2.056 176.749 174.700 -0.011 0.000 1.036 125 T CA 1.829 63.919 62.100 -0.017 0.000 1.148 125 T CB -0.506 68.353 68.868 -0.015 0.000 0.863 125 T HN 0.584 nan 8.240 nan 0.000 0.436 126 A N 1.343 124.159 122.820 -0.007 0.000 1.933 126 A HA 0.161 4.481 4.320 -0.001 0.000 0.218 126 A C 2.644 180.228 177.584 -0.001 0.000 1.175 126 A CA 1.838 53.874 52.037 -0.003 0.000 0.628 126 A CB -1.069 17.930 19.000 -0.001 0.000 0.814 126 A HN 0.519 nan 8.150 nan 0.000 0.444 127 A N -0.547 122.272 122.820 -0.002 0.000 1.902 127 A HA 0.001 4.321 4.320 -0.001 0.000 0.217 127 A C 2.196 179.779 177.584 -0.001 0.000 1.181 127 A CA 1.744 53.781 52.037 0.001 0.000 0.623 127 A CB -0.890 18.110 19.000 0.001 0.000 0.818 127 A HN 0.399 nan 8.150 nan 0.000 0.443 128 V N 0.339 120.249 119.914 -0.007 0.000 2.407 128 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 128 V C 2.543 178.634 176.094 -0.004 0.000 1.055 128 V CA 2.095 64.390 62.300 -0.009 0.000 1.049 128 V CB -0.701 31.111 31.823 -0.019 0.000 0.662 128 V HN 0.500 nan 8.190 nan 0.000 0.455 129 E N -0.036 120.162 120.200 -0.003 0.000 2.047 129 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 129 E C 2.203 178.805 176.600 0.004 0.000 0.987 129 E CA 1.004 57.404 56.400 -0.000 0.000 0.799 129 E CB -0.350 29.349 29.700 -0.000 0.000 0.752 129 E HN 0.543 nan 8.360 nan 0.000 0.449 130 E N 0.479 120.682 120.200 0.005 0.000 2.209 130 E HA -0.135 4.215 4.350 -0.001 0.000 0.196 130 E C 1.762 178.369 176.600 0.011 0.000 0.993 130 E CA 0.279 56.685 56.400 0.009 0.000 0.819 130 E CB -0.161 29.545 29.700 0.010 0.000 0.745 130 E HN 0.047 nan 8.360 nan 0.000 0.477 131 L N 0.336 121.564 121.223 0.009 0.000 2.179 131 L HA -0.028 4.311 4.340 -0.001 0.000 0.208 131 L C 1.679 178.555 176.870 0.010 0.000 1.096 131 L CA 1.634 56.480 54.840 0.010 0.000 0.779 131 L CB -0.198 41.865 42.059 0.007 0.000 0.922 131 L HN -0.007 nan 8.230 nan 0.000 0.443 132 K N -1.097 119.308 120.400 0.008 0.000 2.103 132 K HA -0.020 4.299 4.320 -0.001 0.000 0.204 132 K C 2.074 178.680 176.600 0.010 0.000 1.052 132 K CA 1.083 57.375 56.287 0.008 0.000 0.945 132 K CB -0.215 32.288 32.500 0.006 0.000 0.722 132 K HN 0.330 nan 8.250 nan 0.000 0.443 133 A N 1.712 124.539 122.820 0.011 0.000 1.898 133 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 133 A C 2.020 179.614 177.584 0.016 0.000 1.181 133 A CA 0.931 52.975 52.037 0.012 0.000 0.620 133 A CB -0.521 18.487 19.000 0.012 0.000 0.819 133 A HN 0.212 nan 8.150 nan 0.000 0.442 134 L N 0.232 121.466 121.223 0.018 0.000 2.191 134 L HA -0.019 4.320 4.340 -0.001 0.000 0.212 134 L C 1.291 178.174 176.870 0.021 0.000 1.103 134 L CA 1.450 56.303 54.840 0.022 0.000 0.769 134 L CB -1.150 40.923 42.059 0.024 0.000 0.908 134 L HN 0.389 nan 8.230 nan 0.000 0.438 135 S N -0.472 115.239 115.700 0.017 0.000 2.558 135 S HA 0.122 4.591 4.470 -0.001 0.000 0.288 135 S C -0.158 174.452 174.600 0.016 0.000 1.318 135 S CA -0.355 57.854 58.200 0.016 0.000 1.056 135 S CB 0.554 63.762 63.200 0.014 0.000 0.853 135 S HN 0.097 nan 8.310 nan 0.000 0.505 136 V N 7.873 127.797 119.914 0.016 0.000 2.495 136 V HA 0.418 4.537 4.120 -0.001 0.000 0.298 136 V C -2.121 173.981 176.094 0.013 0.000 1.031 136 V CA -1.857 60.452 62.300 0.015 0.000 0.871 136 V CB 1.581 33.414 31.823 0.016 0.000 0.988 136 V HN 0.775 nan 8.190 nan 0.000 0.432 137 P HA 0.157 nan 4.420 nan 0.000 0.269 137 P C -0.715 176.591 177.300 0.011 0.000 1.215 137 P CA -0.189 62.918 63.100 0.011 0.000 0.780 137 P CB 0.450 32.156 31.700 0.010 0.000 0.898 138 C N 2.450 121.756 119.300 0.010 0.000 3.164 138 C HA 0.463 4.923 4.460 -0.001 0.000 0.250 138 C C 1.014 176.010 174.990 0.009 0.000 1.151 138 C CA 0.135 59.159 59.018 0.010 0.000 1.449 138 C CB -1.325 26.421 27.740 0.010 0.000 1.825 138 C HN 0.563 nan 8.230 nan 0.000 0.478 139 S N 1.513 117.218 115.700 0.008 0.000 2.979 139 S HA 0.131 4.600 4.470 -0.001 0.000 0.243 139 S C 0.287 174.891 174.600 0.006 0.000 1.036 139 S CA 0.126 58.331 58.200 0.008 0.000 0.846 139 S CB -0.199 63.005 63.200 0.008 0.000 0.806 139 S HN 0.939 nan 8.310 nan 0.000 0.568 140 D N 2.710 123.113 120.400 0.006 0.000 2.443 140 D HA 0.016 4.655 4.640 -0.001 0.000 0.239 140 D C 0.951 177.253 176.300 0.004 0.000 1.136 140 D CA 0.470 54.473 54.000 0.004 0.000 0.879 140 D CB 0.900 41.703 40.800 0.004 0.000 1.195 140 D HN 0.280 nan 8.370 nan 0.000 0.443 141 S N 1.553 117.255 115.700 0.003 0.000 2.493 141 S HA -0.242 4.227 4.470 -0.001 0.000 0.243 141 S C 1.531 176.132 174.600 0.001 0.000 0.991 141 S CA 0.858 59.059 58.200 0.002 0.000 0.957 141 S CB -0.294 62.906 63.200 0.001 0.000 0.756 141 S HN 0.661 nan 8.310 nan 0.000 0.521 142 K N 1.427 121.828 120.400 0.002 0.000 2.103 142 K HA 0.088 4.408 4.320 -0.001 0.000 0.204 142 K C 2.255 178.856 176.600 0.002 0.000 1.052 142 K CA 0.984 57.271 56.287 0.001 0.000 0.945 142 K CB -0.504 31.997 32.500 0.002 0.000 0.722 142 K HN 0.439 nan 8.250 nan 0.000 0.443 143 A N 1.475 124.297 122.820 0.003 0.000 1.897 143 A HA -0.046 4.273 4.320 -0.001 0.000 0.215 143 A C 2.030 179.616 177.584 0.003 0.000 1.181 143 A CA 0.990 53.029 52.037 0.004 0.000 0.620 143 A CB -0.486 18.517 19.000 0.005 0.000 0.821 143 A HN 0.305 nan 8.150 nan 0.000 0.443 144 I N -0.008 120.564 120.570 0.003 0.000 2.315 144 I HA -0.330 3.839 4.170 -0.001 0.000 0.251 144 I C 2.875 178.992 176.117 -0.001 0.000 1.125 144 I CA 1.132 62.433 61.300 0.002 0.000 1.392 144 I CB -0.339 37.662 38.000 0.002 0.000 1.065 144 I HN 0.388 nan 8.210 nan 0.000 0.424 145 A N 0.371 123.190 122.820 -0.001 0.000 1.897 145 A HA -0.200 4.120 4.320 -0.001 0.000 0.215 145 A C 2.264 179.846 177.584 -0.003 0.000 1.181 145 A CA 1.174 53.209 52.037 -0.003 0.000 0.620 145 A CB -0.494 18.504 19.000 -0.003 0.000 0.821 145 A HN 0.454 nan 8.150 nan 0.000 0.443 146 Q N -0.287 119.512 119.800 -0.002 0.000 2.050 146 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 146 Q C 2.148 178.147 176.000 -0.002 0.000 0.980 146 Q CA 1.683 57.484 55.803 -0.002 0.000 0.840 146 Q CB -0.487 28.251 28.738 0.000 0.000 0.898 146 Q HN 0.465 nan 8.270 nan 0.000 0.424 147 V N 0.932 120.846 119.914 0.000 0.000 2.237 147 V HA -0.229 3.891 4.120 -0.001 0.000 0.245 147 V C 2.343 178.436 176.094 -0.001 0.000 1.046 147 V CA 2.112 64.413 62.300 0.001 0.000 1.007 147 V CB -1.352 30.474 31.823 0.005 0.000 0.638 147 V HN 0.574 nan 8.190 nan 0.000 0.445 148 G N -0.649 108.149 108.800 -0.003 0.000 2.469 148 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.220 148 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.220 148 G C 1.662 176.556 174.900 -0.010 0.000 1.136 148 G CA 1.693 46.788 45.100 -0.008 0.000 0.759 148 G HN 0.495 nan 8.290 nan 0.000 0.562 149 T N 1.061 115.610 114.554 -0.008 0.000 2.821 149 T HA 0.025 4.374 4.350 -0.001 0.000 0.267 149 T C 2.379 177.074 174.700 -0.009 0.000 1.046 149 T CA 0.786 62.881 62.100 -0.009 0.000 1.139 149 T CB -0.084 68.780 68.868 -0.008 0.000 0.871 149 T HN 0.274 nan 8.240 nan 0.000 0.454 150 I N 1.205 121.770 120.570 -0.007 0.000 2.315 150 I HA -0.124 4.046 4.170 -0.001 0.000 0.248 150 I C 2.509 178.621 176.117 -0.007 0.000 1.117 150 I CA 0.901 62.196 61.300 -0.008 0.000 1.404 150 I CB -0.283 37.712 38.000 -0.007 0.000 1.071 150 I HN 0.178 nan 8.210 nan 0.000 0.419 151 S N 0.932 116.629 115.700 -0.005 0.000 2.428 151 S HA -0.010 4.460 4.470 -0.001 0.000 0.230 151 S C 1.924 176.521 174.600 -0.006 0.000 1.014 151 S CA 1.003 59.202 58.200 -0.002 0.000 0.957 151 S CB -0.177 63.023 63.200 0.001 0.000 0.784 151 S HN 0.503 nan 8.310 nan 0.000 0.499 152 A N 1.239 124.053 122.820 -0.010 0.000 2.276 152 A HA 0.300 4.619 4.320 -0.001 0.000 0.212 152 A C 0.778 178.356 177.584 -0.011 0.000 1.230 152 A CA 0.156 52.186 52.037 -0.013 0.000 0.844 152 A CB -0.702 18.289 19.000 -0.015 0.000 0.860 152 A HN 0.482 nan 8.150 nan 0.000 0.486 153 N N -1.335 117.359 118.700 -0.010 0.000 2.816 153 N HA -0.207 4.533 4.740 -0.001 0.000 0.247 153 N C 0.185 175.688 175.510 -0.012 0.000 1.100 153 N CA 1.058 54.101 53.050 -0.011 0.000 0.687 153 N CB -1.822 36.658 38.487 -0.010 0.000 1.003 153 N HN 0.429 nan 8.380 nan 0.000 0.554 154 S N -1.656 114.037 115.700 -0.012 0.000 3.450 154 S HA -0.212 4.258 4.470 -0.001 0.000 0.288 154 S C -0.456 174.137 174.600 -0.010 0.000 1.256 154 S CA 0.745 58.938 58.200 -0.011 0.000 0.910 154 S CB -1.058 62.134 63.200 -0.012 0.000 1.090 154 S HN 0.719 nan 8.310 nan 0.000 0.630 155 D N 1.367 121.761 120.400 -0.010 0.000 2.411 155 D HA 0.276 4.916 4.640 -0.001 0.000 0.225 155 D C 1.064 177.358 176.300 -0.010 0.000 1.156 155 D CA -0.229 53.764 54.000 -0.010 0.000 0.874 155 D CB 0.555 41.348 40.800 -0.011 0.000 1.034 155 D HN 0.467 nan 8.370 nan 0.000 0.502 156 E N 1.130 121.324 120.200 -0.009 0.000 2.209 156 E HA -0.153 4.197 4.350 -0.001 0.000 0.196 156 E C 1.501 178.096 176.600 -0.009 0.000 0.993 156 E CA 1.176 57.571 56.400 -0.008 0.000 0.819 156 E CB 0.277 29.973 29.700 -0.007 0.000 0.745 156 E HN 0.474 nan 8.360 nan 0.000 0.477 157 T N 0.592 115.140 114.554 -0.009 0.000 2.720 157 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 157 T C 2.085 176.778 174.700 -0.012 0.000 1.037 157 T CA 1.302 63.396 62.100 -0.010 0.000 1.144 157 T CB -0.212 68.650 68.868 -0.010 0.000 0.864 157 T HN 0.014 nan 8.240 nan 0.000 0.444 158 V N 1.422 121.327 119.914 -0.014 0.000 2.358 158 V HA -0.063 4.057 4.120 -0.001 0.000 0.246 158 V C 2.886 178.970 176.094 -0.017 0.000 1.047 158 V CA 1.813 64.102 62.300 -0.018 0.000 1.035 158 V CB -1.480 30.331 31.823 -0.020 0.000 0.658 158 V HN 0.584 nan 8.190 nan 0.000 0.452 159 G N -0.089 108.703 108.800 -0.014 0.000 2.459 159 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.217 159 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.217 159 G C 1.630 176.524 174.900 -0.010 0.000 1.183 159 G CA 1.232 46.325 45.100 -0.011 0.000 0.776 159 G HN 0.492 nan 8.290 nan 0.000 0.552 160 K N -0.028 120.366 120.400 -0.010 0.000 1.991 160 K HA -0.028 4.292 4.320 -0.001 0.000 0.212 160 K C 2.587 179.181 176.600 -0.010 0.000 1.049 160 K CA 1.204 57.485 56.287 -0.008 0.000 0.932 160 K CB -0.391 32.104 32.500 -0.008 0.000 0.717 160 K HN 0.316 nan 8.250 nan 0.000 0.441 161 L N 1.018 122.233 121.223 -0.012 0.000 1.997 161 L HA -0.278 4.061 4.340 -0.001 0.000 0.216 161 L C 2.507 179.367 176.870 -0.016 0.000 1.074 161 L CA 1.685 56.516 54.840 -0.014 0.000 0.763 161 L CB -0.366 41.683 42.059 -0.018 0.000 0.890 161 L HN 0.323 nan 8.230 nan 0.000 0.434 162 I N -0.887 119.672 120.570 -0.018 0.000 2.226 162 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 162 I C 2.735 178.844 176.117 -0.012 0.000 1.100 162 I CA 1.167 62.455 61.300 -0.019 0.000 1.374 162 I CB -0.525 37.462 38.000 -0.023 0.000 1.057 162 I HN 0.270 nan 8.210 nan 0.000 0.413 163 A N 0.744 123.558 122.820 -0.010 0.000 1.883 163 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 163 A C 2.205 179.786 177.584 -0.005 0.000 1.186 163 A CA 1.842 53.876 52.037 -0.006 0.000 0.624 163 A CB -0.640 18.357 19.000 -0.005 0.000 0.822 163 A HN 0.478 nan 8.150 nan 0.000 0.444 164 E N -0.172 120.024 120.200 -0.007 0.000 2.077 164 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 164 E C 2.312 178.909 176.600 -0.006 0.000 0.989 164 E CA 0.953 57.349 56.400 -0.006 0.000 0.800 164 E CB -0.331 29.365 29.700 -0.007 0.000 0.746 164 E HN 0.618 nan 8.360 nan 0.000 0.452 165 A N 1.363 124.178 122.820 -0.008 0.000 1.902 165 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 165 A C 2.188 179.769 177.584 -0.005 0.000 1.181 165 A CA 1.331 53.363 52.037 -0.008 0.000 0.623 165 A CB -0.433 18.560 19.000 -0.012 0.000 0.818 165 A HN 0.132 nan 8.150 nan 0.000 0.443 166 M N -1.012 118.585 119.600 -0.005 0.000 2.229 166 M HA -0.137 4.342 4.480 -0.001 0.000 0.264 166 M C 1.816 178.116 176.300 0.000 0.000 1.063 166 M CA 1.801 57.100 55.300 -0.001 0.000 1.114 166 M CB -0.468 32.132 32.600 -0.000 0.000 1.387 166 M HN 0.503 nan 8.290 nan 0.000 0.420 167 D N 0.594 120.994 120.400 -0.001 0.000 2.144 167 D HA -0.141 4.499 4.640 -0.001 0.000 0.200 167 D C 2.021 178.320 176.300 -0.000 0.000 0.978 167 D CA 1.169 55.169 54.000 -0.000 0.000 0.833 167 D CB 0.237 41.036 40.800 -0.001 0.000 0.961 167 D HN -0.005 nan 8.370 nan 0.000 0.470 168 K N -0.087 120.312 120.400 -0.001 0.000 2.001 168 K HA -0.053 4.266 4.320 -0.001 0.000 0.208 168 K C 2.066 178.667 176.600 0.000 0.000 1.048 168 K CA 1.419 57.706 56.287 -0.001 0.000 0.932 168 K CB -0.472 32.027 32.500 -0.002 0.000 0.715 168 K HN 0.306 nan 8.250 nan 0.000 0.437 169 V N -2.939 116.975 119.914 0.001 0.000 3.647 169 V HA 0.346 4.465 4.120 -0.001 0.000 0.279 169 V C 0.721 176.818 176.094 0.005 0.000 1.314 169 V CA 0.295 62.597 62.300 0.003 0.000 1.125 169 V CB -0.430 31.395 31.823 0.004 0.000 0.907 169 V HN 0.379 nan 8.190 nan 0.000 0.434 170 G N 1.094 109.896 108.800 0.004 0.000 2.707 170 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.686 170 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.686 170 G C 0.157 175.061 174.900 0.007 0.000 1.315 170 G CA -0.068 45.035 45.100 0.005 0.000 0.832 170 G HN 0.165 nan 8.290 nan 0.000 0.573 171 K N 0.263 120.668 120.400 0.008 0.000 2.074 171 K HA -0.098 4.222 4.320 -0.001 0.000 0.209 171 K C 1.952 178.560 176.600 0.013 0.000 1.048 171 K CA 2.008 58.301 56.287 0.010 0.000 0.926 171 K CB -0.138 32.368 32.500 0.010 0.000 0.713 171 K HN 0.654 nan 8.250 nan 0.000 0.444 172 E N 0.483 120.691 120.200 0.013 0.000 2.489 172 E HA 0.055 4.404 4.350 -0.001 0.000 0.193 172 E C 1.000 177.609 176.600 0.016 0.000 1.057 172 E CA -0.006 56.404 56.400 0.015 0.000 0.866 172 E CB -0.155 29.554 29.700 0.014 0.000 0.916 172 E HN 0.231 nan 8.360 nan 0.000 0.500 173 G N 0.920 109.727 108.800 0.013 0.000 2.636 173 G HA2 0.212 4.172 3.960 -0.001 0.000 0.246 173 G HA3 0.212 4.172 3.960 -0.001 0.000 0.246 173 G C 0.022 174.931 174.900 0.015 0.000 1.216 173 G CA -0.453 44.655 45.100 0.012 0.000 0.854 173 G HN -0.007 nan 8.290 nan 0.000 0.572 174 V N 1.578 121.501 119.914 0.015 0.000 2.383 174 V HA 0.335 4.455 4.120 -0.001 0.000 0.275 174 V C 0.271 176.371 176.094 0.009 0.000 1.036 174 V CA -0.173 62.136 62.300 0.015 0.000 0.889 174 V CB 0.764 32.598 31.823 0.019 0.000 0.985 174 V HN 0.454 nan 8.190 nan 0.000 0.459 175 I N 4.176 124.750 120.570 0.007 0.000 2.433 175 I HA 0.517 4.687 4.170 -0.001 0.000 0.292 175 I C 0.171 176.283 176.117 -0.008 0.000 1.001 175 I CA -0.127 61.170 61.300 -0.003 0.000 1.119 175 I CB 2.232 40.225 38.000 -0.011 0.000 1.289 175 I HN 0.507 nan 8.210 nan 0.000 0.438 176 T N 4.830 119.377 114.554 -0.012 0.000 2.924 176 T HA 0.653 5.002 4.350 -0.001 0.000 0.291 176 T C -0.638 174.048 174.700 -0.023 0.000 1.045 176 T CA -0.531 61.561 62.100 -0.013 0.000 1.015 176 T CB 2.500 71.364 68.868 -0.006 0.000 1.103 176 T HN 0.213 nan 8.240 nan 0.000 0.496 177 V N 2.228 122.127 119.914 -0.025 0.000 2.638 177 V HA 0.544 4.663 4.120 -0.001 0.000 0.306 177 V C -0.544 175.540 176.094 -0.018 0.000 1.052 177 V CA -0.784 61.499 62.300 -0.028 0.000 0.885 177 V CB 1.877 33.672 31.823 -0.046 0.000 0.999 177 V HN 0.904 nan 8.190 nan 0.000 0.424 178 E N 1.749 121.940 120.200 -0.016 0.000 2.433 178 E HA 0.435 4.784 4.350 -0.001 0.000 0.273 178 E C -1.521 175.072 176.600 -0.011 0.000 0.950 178 E CA -1.099 55.295 56.400 -0.011 0.000 0.796 178 E CB 1.807 31.501 29.700 -0.009 0.000 1.330 178 E HN 0.587 nan 8.360 nan 0.000 0.455 179 D N 0.834 121.229 120.400 -0.008 0.000 2.423 179 D HA 0.142 4.781 4.640 -0.001 0.000 0.238 179 D C 0.096 176.391 176.300 -0.009 0.000 1.142 179 D CA 0.390 54.385 54.000 -0.008 0.000 0.884 179 D CB 0.960 41.757 40.800 -0.006 0.000 1.199 179 D HN 0.482 nan 8.370 nan 0.000 0.438 180 G N -0.428 108.367 108.800 -0.009 0.000 2.507 180 G HA2 0.250 4.210 3.960 -0.001 0.000 0.271 180 G HA3 0.250 4.210 3.960 -0.001 0.000 0.271 180 G C 1.139 176.035 174.900 -0.007 0.000 1.189 180 G CA -0.274 44.821 45.100 -0.008 0.000 0.859 180 G HN 0.444 nan 8.290 nan 0.000 0.542 181 T N -1.782 112.768 114.554 -0.007 0.000 2.985 181 T HA 0.395 4.744 4.350 -0.001 0.000 0.266 181 T C 1.208 175.904 174.700 -0.006 0.000 1.076 181 T CA 1.107 63.203 62.100 -0.007 0.000 1.135 181 T CB 0.034 68.898 68.868 -0.007 0.000 0.890 181 T HN 1.307 nan 8.240 nan 0.000 0.480 182 G N 0.475 109.272 108.800 -0.006 0.000 2.474 182 G HA2 0.433 4.393 3.960 -0.001 0.000 0.234 182 G HA3 0.433 4.393 3.960 -0.001 0.000 0.234 182 G C -1.763 173.133 174.900 -0.006 0.000 1.204 182 G CA -0.558 44.539 45.100 -0.006 0.000 0.939 182 G HN 0.314 nan 8.290 nan 0.000 0.491 183 L N 0.815 122.034 121.223 -0.005 0.000 2.397 183 L HA 0.608 4.948 4.340 -0.001 0.000 0.271 183 L C -0.241 176.626 176.870 -0.006 0.000 1.148 183 L CA 0.580 55.417 54.840 -0.006 0.000 0.825 183 L CB 0.373 42.429 42.059 -0.005 0.000 1.117 183 L HN 0.902 nan 8.230 nan 0.000 0.456 184 Q N 2.817 122.613 119.800 -0.006 0.000 2.710 184 Q HA -0.089 4.250 4.340 -0.001 0.000 0.178 184 Q C -1.215 174.780 176.000 -0.008 0.000 1.358 184 Q CA 0.109 55.908 55.803 -0.007 0.000 0.379 184 Q CB -0.108 28.626 28.738 -0.006 0.000 0.558 184 Q HN 0.715 nan 8.270 nan 0.000 0.321 185 D N 2.547 122.942 120.400 -0.008 0.000 2.363 185 D HA 0.247 4.886 4.640 -0.001 0.000 0.240 185 D C 0.027 176.322 176.300 -0.009 0.000 1.236 185 D CA 0.327 54.321 54.000 -0.010 0.000 0.927 185 D CB 0.671 41.465 40.800 -0.011 0.000 1.150 185 D HN 0.354 nan 8.370 nan 0.000 0.458 186 E N -0.508 119.686 120.200 -0.010 0.000 2.343 186 E HA 0.484 4.834 4.350 -0.001 0.000 0.278 186 E C -1.355 175.239 176.600 -0.010 0.000 0.910 186 E CA -0.761 55.633 56.400 -0.009 0.000 0.757 186 E CB 2.450 32.145 29.700 -0.008 0.000 1.218 186 E HN 0.081 nan 8.360 nan 0.000 0.435 187 L N 3.093 124.311 121.223 -0.008 0.000 2.431 187 L HA 0.602 4.941 4.340 -0.001 0.000 0.266 187 L C -2.148 174.718 176.870 -0.007 0.000 0.978 187 L CA -0.279 54.556 54.840 -0.008 0.000 0.822 187 L CB 1.822 43.876 42.059 -0.008 0.000 1.310 187 L HN 0.592 nan 8.230 nan 0.000 0.409 188 D N 3.628 124.024 120.400 -0.007 0.000 2.746 188 D HA 0.206 4.845 4.640 -0.001 0.000 0.211 188 D C -1.269 175.028 176.300 -0.004 0.000 1.242 188 D CA -0.401 53.596 54.000 -0.005 0.000 0.790 188 D CB 1.290 42.086 40.800 -0.006 0.000 1.744 188 D HN 0.302 nan 8.370 nan 0.000 0.520 189 V N 0.934 120.846 119.914 -0.003 0.000 2.432 189 V HA 0.442 4.561 4.120 -0.001 0.000 0.271 189 V C 0.950 177.044 176.094 -0.001 0.000 1.046 189 V CA -0.559 61.741 62.300 -0.001 0.000 0.945 189 V CB 0.854 32.677 31.823 -0.000 0.000 0.992 189 V HN 0.567 nan 8.190 nan 0.000 0.471 190 V N 1.836 121.750 119.914 -0.000 0.000 3.019 190 V HA 0.672 4.792 4.120 -0.001 0.000 0.317 190 V C -0.006 176.089 176.094 0.002 0.000 1.094 190 V CA -1.071 61.228 62.300 -0.001 0.000 1.000 190 V CB 1.928 33.750 31.823 -0.002 0.000 1.060 190 V HN 0.680 nan 8.190 nan 0.000 0.443 191 E N 1.500 121.701 120.200 0.002 0.000 2.465 191 E HA 0.514 4.864 4.350 -0.001 0.000 0.260 191 E C 0.307 176.913 176.600 0.010 0.000 0.980 191 E CA 1.285 57.688 56.400 0.005 0.000 0.927 191 E CB 0.715 30.416 29.700 0.002 0.000 0.934 191 E HN 1.270 nan 8.360 nan 0.000 0.459 192 G N 1.337 110.146 108.800 0.016 0.000 2.356 192 G HA2 0.484 4.444 3.960 -0.001 0.000 0.294 192 G HA3 0.484 4.444 3.960 -0.001 0.000 0.294 192 G C -1.277 173.646 174.900 0.039 0.000 1.423 192 G CA -0.620 44.496 45.100 0.027 0.000 0.806 192 G HN 0.411 nan 8.290 nan 0.000 0.527 193 M N -0.353 119.284 119.600 0.062 0.000 2.773 193 M HA 0.705 5.184 4.480 -0.001 0.000 0.270 193 M C -2.260 174.114 176.300 0.125 0.000 1.238 193 M CA -0.736 54.617 55.300 0.089 0.000 0.832 193 M CB 2.481 35.141 32.600 0.099 0.000 1.672 193 M HN 0.752 nan 8.290 nan 0.000 0.480 194 Q N 2.849 122.738 119.800 0.148 0.000 2.263 194 Q HA 0.502 4.841 4.340 -0.001 0.000 0.262 194 Q C -2.255 173.865 176.000 0.199 0.000 0.984 194 Q CA -0.628 55.247 55.803 0.121 0.000 0.813 194 Q CB 1.677 30.432 28.738 0.028 0.000 1.299 194 Q HN 0.587 nan 8.270 nan 0.000 0.428 195 F N 0.244 120.195 119.950 0.003 0.000 2.575 195 F HA 0.592 5.118 4.527 -0.001 0.000 0.330 195 F C -0.328 175.472 175.800 0.001 0.000 1.056 195 F CA -1.313 56.689 58.000 0.004 0.000 0.964 195 F CB 0.859 39.862 39.000 0.005 0.000 1.258 195 F HN 0.277 nan 8.300 nan 0.000 0.484 196 D N 3.023 123.510 120.400 0.146 0.000 2.517 196 D HA 0.237 4.877 4.640 -0.001 0.000 0.220 196 D C -0.245 176.076 176.300 0.035 0.000 1.158 196 D CA 0.115 54.132 54.000 0.028 0.000 0.992 196 D CB 0.110 40.943 40.800 0.054 0.000 1.058 196 D HN 0.294 nan 8.370 nan 0.000 0.516 197 R N 0.520 120.961 120.500 -0.098 0.000 2.535 197 R HA 0.502 4.842 4.340 -0.001 0.000 0.274 197 R C 0.158 176.343 176.300 -0.190 0.000 1.090 197 R CA -0.716 55.350 56.100 -0.058 0.000 0.930 197 R CB 2.061 32.442 30.300 0.134 0.000 1.223 197 R HN 0.322 nan 8.270 nan 0.000 0.441 198 G N 0.850 109.539 108.800 -0.184 0.000 2.671 198 G HA2 0.450 4.409 3.960 -0.001 0.000 0.275 198 G HA3 0.450 4.409 3.960 -0.001 0.000 0.275 198 G C -0.768 174.013 174.900 -0.199 0.000 1.368 198 G CA -0.495 44.409 45.100 -0.326 0.000 1.044 198 G HN 0.442 nan 8.290 nan 0.000 0.543 199 Y N -0.880 119.449 120.300 0.048 0.000 2.425 199 Y HA 0.381 4.930 4.550 -0.001 0.000 0.331 199 Y C 1.085 177.089 175.900 0.174 0.000 1.157 199 Y CA -1.337 56.845 58.100 0.137 0.000 1.372 199 Y CB 0.467 39.053 38.460 0.210 0.000 1.253 199 Y HN 0.166 nan 8.280 nan 0.000 0.536 200 L N 2.908 124.388 121.223 0.427 0.000 2.737 200 L HA 0.054 4.394 4.340 -0.001 0.000 0.246 200 L C 0.441 177.531 176.870 0.367 0.000 1.153 200 L CA 0.868 55.912 54.840 0.340 0.000 0.920 200 L CB -0.707 41.530 42.059 0.297 0.000 1.090 200 L HN 0.870 nan 8.230 nan 0.000 0.430 201 S N -2.304 113.673 115.700 0.462 0.000 2.804 201 S HA 0.204 4.673 4.470 -0.001 0.000 0.296 201 S C -2.697 171.859 174.600 -0.073 0.000 0.865 201 S CA -1.026 57.286 58.200 0.187 0.000 0.809 201 S CB 0.877 64.075 63.200 -0.003 0.000 1.011 201 S HN -0.200 nan 8.310 nan 0.000 0.495 202 P HA 0.404 nan 4.420 nan 0.000 0.321 202 P C 0.247 177.219 177.300 -0.546 0.000 1.338 202 P CA 0.608 63.251 63.100 -0.762 0.000 0.764 202 P CB -0.013 31.256 31.700 -0.718 0.000 1.641 203 Y N -4.901 115.188 120.300 -0.352 0.000 2.884 203 Y HA -0.292 4.258 4.550 -0.000 0.000 0.483 203 Y C 1.830 177.609 175.900 -0.202 0.000 1.209 203 Y CA 1.462 59.389 58.100 -0.289 0.000 2.681 203 Y CB -2.995 35.237 38.460 -0.379 0.000 0.894 203 Y HN 0.113 nan 8.280 nan 0.000 0.529 204 F N 0.622 120.565 119.950 -0.011 0.000 2.408 204 F HA -0.003 4.523 4.527 -0.001 0.000 0.300 204 F C 1.424 177.187 175.800 -0.061 0.000 1.090 204 F CA 0.439 58.431 58.000 -0.013 0.000 1.427 204 F CB -0.572 38.433 39.000 0.008 0.000 1.070 204 F HN -0.017 nan 8.300 nan 0.000 0.549 205 I N 2.303 122.868 120.570 -0.008 0.000 2.662 205 I HA -0.142 4.028 4.170 -0.001 0.000 0.285 205 I C 0.705 176.823 176.117 0.002 0.000 1.161 205 I CA 0.341 61.608 61.300 -0.055 0.000 1.415 205 I CB 0.202 38.090 38.000 -0.186 0.000 1.385 205 I HN 0.162 nan 8.210 nan 0.000 0.552 206 N N 4.808 123.524 118.700 0.027 0.000 2.171 206 N HA 0.049 4.788 4.740 -0.001 0.000 0.212 206 N C -0.038 175.483 175.510 0.018 0.000 1.184 206 N CA -0.094 52.974 53.050 0.030 0.000 0.888 206 N CB 0.488 39.001 38.487 0.044 0.000 1.038 206 N HN 0.296 nan 8.380 nan 0.000 0.517 207 K N 1.589 121.998 120.400 0.014 0.000 2.762 207 K HA 0.283 4.603 4.320 -0.001 0.000 0.180 207 K C -2.035 174.568 176.600 0.005 0.000 1.067 207 K CA -1.600 54.695 56.287 0.013 0.000 0.973 207 K CB 1.932 34.445 32.500 0.022 0.000 1.290 207 K HN 0.051 nan 8.250 nan 0.000 0.604 208 P HA -0.186 nan 4.420 nan 0.000 0.222 208 P C 0.264 177.559 177.300 -0.007 0.000 1.142 208 P CA 1.299 64.388 63.100 -0.018 0.000 0.788 208 P CB 0.547 32.236 31.700 -0.019 0.000 0.767 209 E N -0.241 119.960 120.200 0.003 0.000 2.076 209 E HA -0.056 4.293 4.350 -0.001 0.000 0.190 209 E C 1.878 178.487 176.600 0.015 0.000 0.979 209 E CA 1.417 57.822 56.400 0.007 0.000 0.807 209 E CB -1.400 28.306 29.700 0.010 0.000 0.761 209 E HN 0.224 nan 8.360 nan 0.000 0.454 210 T N -0.650 113.916 114.554 0.021 0.000 3.081 210 T HA 0.194 4.544 4.350 -0.001 0.000 0.255 210 T C 1.386 176.110 174.700 0.039 0.000 1.113 210 T CA 0.433 62.554 62.100 0.035 0.000 1.082 210 T CB 0.034 68.926 68.868 0.040 0.000 0.939 210 T HN 0.396 nan 8.240 nan 0.000 0.506 211 G N 1.654 110.470 108.800 0.026 0.000 2.283 211 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.280 211 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.280 211 G C 0.120 175.073 174.900 0.088 0.000 1.029 211 G CA 0.198 45.315 45.100 0.029 0.000 0.840 211 G HN 0.948 nan 8.290 nan 0.000 0.505 212 A N -1.644 121.221 122.820 0.076 0.000 2.437 212 A HA 0.940 5.259 4.320 -0.001 0.000 0.292 212 A C -0.106 177.529 177.584 0.086 0.000 1.173 212 A CA -0.207 51.903 52.037 0.122 0.000 0.785 212 A CB 1.860 20.916 19.000 0.092 0.000 1.351 212 A HN 1.125 nan 8.150 nan 0.000 0.431 213 V N 0.518 120.501 119.914 0.115 0.000 2.612 213 V HA 0.599 4.719 4.120 -0.001 0.000 0.301 213 V C -0.046 176.080 176.094 0.054 0.000 1.046 213 V CA -0.342 62.010 62.300 0.087 0.000 0.946 213 V CB 1.472 33.364 31.823 0.115 0.000 1.003 213 V HN 0.910 nan 8.190 nan 0.000 0.459 214 E N 3.592 123.815 120.200 0.039 0.000 2.361 214 E HA 0.492 4.842 4.350 -0.001 0.000 0.270 214 E C -1.856 174.754 176.600 0.017 0.000 0.911 214 E CA -0.453 55.961 56.400 0.023 0.000 0.818 214 E CB 1.272 30.985 29.700 0.021 0.000 1.332 214 E HN 0.623 nan 8.360 nan 0.000 0.402 215 L N 3.248 124.476 121.223 0.008 0.000 2.329 215 L HA 0.556 4.896 4.340 -0.001 0.000 0.279 215 L C -0.110 176.754 176.870 -0.010 0.000 1.014 215 L CA -0.855 53.986 54.840 0.002 0.000 0.814 215 L CB 1.818 43.876 42.059 -0.001 0.000 1.257 215 L HN 0.461 nan 8.230 nan 0.000 0.424 216 E N 1.137 121.327 120.200 -0.016 0.000 2.199 216 E HA 0.311 4.661 4.350 -0.001 0.000 0.269 216 E C -0.332 176.234 176.600 -0.056 0.000 0.899 216 E CA -0.650 55.732 56.400 -0.030 0.000 0.772 216 E CB 1.776 31.463 29.700 -0.022 0.000 1.155 216 E HN 0.608 nan 8.360 nan 0.000 0.408 217 S N 1.440 117.092 115.700 -0.079 0.000 3.549 217 S HA -0.128 4.342 4.470 -0.001 0.000 0.366 217 S C -2.118 172.355 174.600 -0.212 0.000 1.012 217 S CA 0.515 58.632 58.200 -0.138 0.000 1.141 217 S CB -1.420 61.703 63.200 -0.128 0.000 0.910 217 S HN 0.483 nan 8.310 nan 0.000 0.471 218 P HA 0.547 nan 4.420 nan 0.000 0.281 218 P C -0.098 177.079 177.300 -0.204 0.000 1.264 218 P CA -0.685 62.332 63.100 -0.137 0.000 0.824 218 P CB 0.575 32.258 31.700 -0.029 0.000 1.092 219 F N 0.018 119.969 119.950 0.001 0.000 2.377 219 F HA 0.440 4.967 4.527 -0.001 0.000 0.328 219 F C 0.870 176.670 175.800 0.001 0.000 1.094 219 F CA -0.257 57.744 58.000 0.001 0.000 1.093 219 F CB 0.710 39.710 39.000 -0.001 0.000 1.214 219 F HN 0.030 nan 8.300 nan 0.000 0.518 220 I N 3.618 124.315 120.570 0.212 0.000 2.447 220 I HA 0.248 4.417 4.170 -0.001 0.000 0.287 220 I C -1.363 174.811 176.117 0.095 0.000 1.023 220 I CA -0.928 60.443 61.300 0.118 0.000 1.083 220 I CB 1.898 39.947 38.000 0.082 0.000 1.245 220 I HN 0.242 nan 8.210 nan 0.000 0.434 221 L N 8.233 129.495 121.223 0.064 0.000 2.257 221 L HA 0.477 4.816 4.340 -0.001 0.000 0.290 221 L C -0.918 175.967 176.870 0.024 0.000 1.044 221 L CA -0.066 54.795 54.840 0.036 0.000 0.810 221 L CB 0.736 42.807 42.059 0.021 0.000 1.193 221 L HN 0.447 nan 8.230 nan 0.000 0.425 222 L N 6.400 127.631 121.223 0.014 0.000 2.272 222 L HA 0.670 5.009 4.340 -0.001 0.000 0.284 222 L C 0.021 176.888 176.870 -0.004 0.000 1.045 222 L CA -0.398 54.441 54.840 -0.001 0.000 0.842 222 L CB 0.948 43.001 42.059 -0.012 0.000 1.224 222 L HN 0.781 nan 8.230 nan 0.000 0.430 223 A N 1.790 124.610 122.820 -0.001 0.000 2.285 223 A HA 0.339 4.658 4.320 -0.001 0.000 0.310 223 A C -0.420 177.165 177.584 0.000 0.000 1.266 223 A CA -0.562 51.476 52.037 0.001 0.000 0.832 223 A CB 0.762 19.767 19.000 0.007 0.000 1.163 223 A HN 0.665 nan 8.150 nan 0.000 0.499 224 D N 2.746 123.144 120.400 -0.004 0.000 2.551 224 D HA 0.417 5.056 4.640 -0.001 0.000 0.223 224 D C -0.089 176.214 176.300 0.005 0.000 1.144 224 D CA 0.348 54.346 54.000 -0.004 0.000 1.025 224 D CB -0.584 40.210 40.800 -0.011 0.000 1.085 224 D HN 0.609 nan 8.370 nan 0.000 0.506 225 K N -0.178 120.229 120.400 0.013 0.000 3.120 225 K HA 0.153 4.473 4.320 -0.001 0.000 0.337 225 K C -1.470 175.145 176.600 0.025 0.000 1.147 225 K CA -0.943 55.355 56.287 0.019 0.000 0.901 225 K CB 0.054 32.562 32.500 0.014 0.000 1.386 225 K HN -0.090 nan 8.250 nan 0.000 0.391 226 K N 1.443 121.861 120.400 0.029 0.000 2.350 226 K HA 0.356 4.675 4.320 -0.001 0.000 0.279 226 K C -0.348 176.270 176.600 0.031 0.000 1.027 226 K CA -0.227 56.081 56.287 0.034 0.000 0.969 226 K CB 0.417 32.938 32.500 0.035 0.000 0.954 226 K HN 0.448 nan 8.250 nan 0.000 0.474 227 I N 2.280 122.872 120.570 0.037 0.000 2.359 227 I HA 0.062 4.232 4.170 -0.001 0.000 0.284 227 I C 0.405 176.545 176.117 0.039 0.000 1.018 227 I CA -0.068 61.253 61.300 0.035 0.000 1.173 227 I CB 1.703 39.725 38.000 0.037 0.000 1.326 227 I HN 0.631 nan 8.210 nan 0.000 0.462 228 S N 3.657 119.377 115.700 0.032 0.000 2.520 228 S HA 0.236 4.705 4.470 -0.001 0.000 0.219 228 S C 0.402 175.018 174.600 0.028 0.000 1.028 228 S CA -0.120 58.100 58.200 0.032 0.000 0.921 228 S CB 0.195 63.411 63.200 0.027 0.000 0.844 228 S HN 0.592 nan 8.310 nan 0.000 0.495 229 N N 1.258 119.973 118.700 0.024 0.000 2.399 229 N HA 0.350 5.090 4.740 -0.001 0.000 0.280 229 N C -0.562 174.960 175.510 0.020 0.000 1.008 229 N CA -0.263 52.799 53.050 0.020 0.000 0.894 229 N CB 1.969 40.464 38.487 0.015 0.000 1.273 229 N HN 0.080 nan 8.380 nan 0.000 0.486 230 I N 1.736 122.319 120.570 0.021 0.000 3.620 230 I HA -0.013 4.157 4.170 -0.001 0.000 0.305 230 I C 1.999 178.124 176.117 0.013 0.000 1.243 230 I CA 0.363 61.676 61.300 0.021 0.000 1.196 230 I CB -0.056 37.959 38.000 0.026 0.000 1.004 230 I HN 0.393 nan 8.210 nan 0.000 0.487 231 R N 0.504 121.011 120.500 0.011 0.000 2.127 231 R HA -0.079 4.260 4.340 -0.001 0.000 0.217 231 R C 1.659 177.961 176.300 0.004 0.000 1.074 231 R CA 1.124 57.228 56.100 0.006 0.000 0.991 231 R CB 0.114 30.418 30.300 0.005 0.000 0.895 231 R HN 0.474 nan 8.270 nan 0.000 0.450 232 E N -0.144 120.059 120.200 0.005 0.000 2.216 232 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 232 E C 1.902 178.501 176.600 -0.001 0.000 0.988 232 E CA 0.629 57.030 56.400 0.002 0.000 0.834 232 E CB 0.122 29.825 29.700 0.004 0.000 0.772 232 E HN 0.233 nan 8.360 nan 0.000 0.479 233 M N 0.591 120.193 119.600 0.003 0.000 2.099 233 M HA -0.103 4.377 4.480 -0.001 0.000 0.262 233 M C 2.356 178.653 176.300 -0.006 0.000 1.067 233 M CA 1.280 56.581 55.300 0.001 0.000 1.124 233 M CB -1.027 31.580 32.600 0.011 0.000 1.353 233 M HN 0.165 nan 8.290 nan 0.000 0.410 234 L N 0.331 121.552 121.223 -0.003 0.000 2.077 234 L HA -0.299 4.041 4.340 -0.001 0.000 0.231 234 L C -0.218 176.642 176.870 -0.017 0.000 1.100 234 L CA 2.266 57.102 54.840 -0.007 0.000 0.819 234 L CB -2.925 39.131 42.059 -0.005 0.000 0.913 234 L HN 0.208 nan 8.230 nan 0.000 0.446 235 P HA -0.142 nan 4.420 nan 0.000 0.216 235 P C 1.738 179.011 177.300 -0.044 0.000 1.150 235 P CA 1.721 64.804 63.100 -0.028 0.000 0.843 235 P CB 0.025 31.710 31.700 -0.024 0.000 0.787 236 V N -0.434 119.453 119.914 -0.045 0.000 2.725 236 V HA -0.063 4.057 4.120 -0.001 0.000 0.247 236 V C 2.768 178.819 176.094 -0.072 0.000 1.058 236 V CA 0.852 63.110 62.300 -0.069 0.000 1.080 236 V CB -0.933 30.855 31.823 -0.058 0.000 0.713 236 V HN -0.006 nan 8.190 nan 0.000 0.465 237 L N -0.107 121.092 121.223 -0.040 0.000 2.141 237 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 237 L C 2.526 179.378 176.870 -0.030 0.000 1.094 237 L CA 1.506 56.330 54.840 -0.026 0.000 0.763 237 L CB -0.345 41.711 42.059 -0.005 0.000 0.908 237 L HN 0.418 nan 8.230 nan 0.000 0.437 238 E N -0.091 120.089 120.200 -0.034 0.000 2.158 238 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 238 E C 2.254 178.824 176.600 -0.050 0.000 0.982 238 E CA 0.861 57.242 56.400 -0.031 0.000 0.823 238 E CB -0.041 29.644 29.700 -0.025 0.000 0.766 238 E HN 0.451 nan 8.360 nan 0.000 0.468 239 A N 0.974 123.745 122.820 -0.082 0.000 2.015 239 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 239 A C 2.322 179.806 177.584 -0.166 0.000 1.163 239 A CA 0.857 52.821 52.037 -0.122 0.000 0.646 239 A CB -0.178 18.726 19.000 -0.160 0.000 0.806 239 A HN 0.098 nan 8.150 nan 0.000 0.448 240 V N -0.813 119.011 119.914 -0.149 0.000 3.052 240 V HA -0.030 4.090 4.120 -0.001 0.000 0.254 240 V C 2.826 178.925 176.094 0.008 0.000 1.100 240 V CA 1.191 63.426 62.300 -0.108 0.000 1.112 240 V CB -0.539 31.245 31.823 -0.065 0.000 0.738 240 V HN 0.565 nan 8.190 nan 0.000 0.469 241 A N -0.371 122.447 122.820 -0.003 0.000 1.930 241 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 241 A C 1.425 179.023 177.584 0.024 0.000 1.175 241 A CA 1.022 53.070 52.037 0.018 0.000 0.627 241 A CB -0.176 18.828 19.000 0.007 0.000 0.815 241 A HN 0.483 nan 8.150 nan 0.000 0.443 242 K N -1.653 118.753 120.400 0.009 0.000 2.185 242 K HA 0.438 4.757 4.320 -0.001 0.000 0.271 242 K C 0.738 177.368 176.600 0.051 0.000 1.013 242 K CA 0.408 56.706 56.287 0.018 0.000 0.943 242 K CB 0.657 33.156 32.500 -0.003 0.000 0.998 242 K HN 0.706 nan 8.250 nan 0.000 0.468 243 A N 1.982 124.843 122.820 0.069 0.000 3.383 243 A HA -0.167 4.152 4.320 -0.001 0.000 0.264 243 A C 0.991 178.648 177.584 0.122 0.000 1.154 243 A CA 0.948 53.054 52.037 0.116 0.000 1.179 243 A CB -2.429 16.695 19.000 0.206 0.000 1.133 243 A HN 1.272 nan 8.150 nan 0.000 0.933 244 G N -0.534 108.321 108.800 0.091 0.000 2.424 244 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.290 244 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.290 244 G C 0.009 174.965 174.900 0.093 0.000 0.912 244 G CA 1.544 46.691 45.100 0.078 0.000 1.142 244 G HN 1.070 nan 8.290 nan 0.000 0.501 245 K N 0.635 121.130 120.400 0.157 0.000 2.259 245 K HA 0.480 4.800 4.320 -0.001 0.000 0.249 245 K C -2.106 174.593 176.600 0.164 0.000 0.942 245 K CA -2.052 54.322 56.287 0.145 0.000 0.816 245 K CB 2.636 35.232 32.500 0.160 0.000 1.155 245 K HN 0.069 nan 8.250 nan 0.000 0.428 246 P HA 0.109 nan 4.420 nan 0.000 0.273 246 P C -1.136 176.239 177.300 0.125 0.000 1.250 246 P CA -0.500 62.649 63.100 0.082 0.000 0.793 246 P CB 0.702 32.424 31.700 0.037 0.000 1.011 247 L N 1.166 122.439 121.223 0.085 0.000 2.431 247 L HA 0.565 4.904 4.340 -0.001 0.000 0.266 247 L C -1.569 175.312 176.870 0.017 0.000 0.978 247 L CA -0.997 53.898 54.840 0.091 0.000 0.822 247 L CB 1.774 43.882 42.059 0.082 0.000 1.310 247 L HN 0.176 nan 8.230 nan 0.000 0.409 248 L N 5.814 127.056 121.223 0.031 0.000 2.325 248 L HA 0.637 4.976 4.340 -0.001 0.000 0.281 248 L C -1.292 175.584 176.870 0.010 0.000 1.004 248 L CA -0.225 54.611 54.840 -0.006 0.000 0.823 248 L CB 1.238 43.311 42.059 0.023 0.000 1.236 248 L HN 0.442 nan 8.230 nan 0.000 0.415 249 I N 6.947 127.503 120.570 -0.024 0.000 2.321 249 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 249 I C -0.178 175.958 176.117 0.033 0.000 0.998 249 I CA -0.210 61.092 61.300 0.004 0.000 1.227 249 I CB 1.162 39.157 38.000 -0.009 0.000 1.368 249 I HN 0.571 nan 8.210 nan 0.000 0.466 250 I N 6.072 126.670 120.570 0.047 0.000 2.437 250 I HA 0.558 4.727 4.170 -0.001 0.000 0.279 250 I C 0.160 176.296 176.117 0.032 0.000 1.028 250 I CA -0.222 61.115 61.300 0.062 0.000 1.142 250 I CB 1.396 39.429 38.000 0.054 0.000 1.266 250 I HN 0.650 nan 8.210 nan 0.000 0.461 251 A N 4.240 127.086 122.820 0.043 0.000 2.486 251 A HA 0.463 4.783 4.320 -0.001 0.000 0.289 251 A C 0.854 178.463 177.584 0.042 0.000 1.176 251 A CA -0.531 51.526 52.037 0.032 0.000 0.757 251 A CB 1.427 20.448 19.000 0.035 0.000 1.337 251 A HN 0.701 nan 8.150 nan 0.000 0.423 252 E N -0.647 119.575 120.200 0.036 0.000 2.130 252 E HA -0.172 4.177 4.350 -0.001 0.000 0.196 252 E C -0.276 176.360 176.600 0.059 0.000 0.998 252 E CA 1.911 58.339 56.400 0.046 0.000 0.806 252 E CB 0.119 29.843 29.700 0.041 0.000 0.738 252 E HN 0.611 nan 8.360 nan 0.000 0.459 253 D N -2.422 118.013 120.400 0.059 0.000 2.912 253 D HA 0.107 4.746 4.640 -0.001 0.000 0.263 253 D C -1.986 174.354 176.300 0.068 0.000 1.152 253 D CA -0.464 53.577 54.000 0.068 0.000 0.728 253 D CB 1.487 42.325 40.800 0.063 0.000 1.337 253 D HN -0.130 nan 8.370 nan 0.000 0.435 254 V N 2.416 122.380 119.914 0.083 0.000 2.376 254 V HA 0.492 4.612 4.120 -0.001 0.000 0.287 254 V C -0.204 175.943 176.094 0.088 0.000 1.015 254 V CA -0.581 61.772 62.300 0.088 0.000 0.834 254 V CB 1.482 33.372 31.823 0.112 0.000 1.001 254 V HN 0.412 nan 8.190 nan 0.000 0.428 255 E N 2.561 122.802 120.200 0.068 0.000 2.221 255 E HA 0.604 4.953 4.350 -0.001 0.000 0.268 255 E C 1.186 177.816 176.600 0.050 0.000 0.933 255 E CA -0.099 56.336 56.400 0.058 0.000 0.809 255 E CB 1.972 31.699 29.700 0.045 0.000 1.190 255 E HN 0.724 nan 8.360 nan 0.000 0.406 256 G N 2.345 111.171 108.800 0.042 0.000 3.181 256 G HA2 -0.493 3.467 3.960 -0.001 0.000 0.292 256 G HA3 -0.493 3.467 3.960 -0.001 0.000 0.292 256 G C 1.285 176.201 174.900 0.026 0.000 0.965 256 G CA 1.304 46.421 45.100 0.029 0.000 0.846 256 G HN 0.693 nan 8.290 nan 0.000 1.096 257 E N 1.137 121.350 120.200 0.021 0.000 2.086 257 E HA -0.240 4.110 4.350 -0.001 0.000 0.205 257 E C 2.957 179.572 176.600 0.026 0.000 1.027 257 E CA 2.464 58.875 56.400 0.018 0.000 0.830 257 E CB -0.739 28.970 29.700 0.016 0.000 0.751 257 E HN 0.638 nan 8.360 nan 0.000 0.456 258 A N 0.653 123.495 122.820 0.037 0.000 1.874 258 A HA -0.107 4.212 4.320 -0.001 0.000 0.214 258 A C 2.240 179.869 177.584 0.074 0.000 1.189 258 A CA 1.220 53.287 52.037 0.050 0.000 0.615 258 A CB -0.675 18.356 19.000 0.051 0.000 0.830 258 A HN 0.318 nan 8.150 nan 0.000 0.443 259 L N 0.122 121.396 121.223 0.085 0.000 2.012 259 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 259 L C 2.641 179.555 176.870 0.074 0.000 1.073 259 L CA 2.373 57.286 54.840 0.123 0.000 0.748 259 L CB -0.928 41.200 42.059 0.115 0.000 0.891 259 L HN 0.346 nan 8.230 nan 0.000 0.431 260 A N -1.779 121.056 122.820 0.025 0.000 1.933 260 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 260 A C 2.239 179.808 177.584 -0.025 0.000 1.175 260 A CA 2.246 54.268 52.037 -0.026 0.000 0.628 260 A CB -1.177 17.806 19.000 -0.028 0.000 0.814 260 A HN 0.537 nan 8.150 nan 0.000 0.444 261 T N 0.453 115.013 114.554 0.010 0.000 2.821 261 T HA -0.042 4.307 4.350 -0.001 0.000 0.267 261 T C 1.774 176.499 174.700 0.042 0.000 1.046 261 T CA 1.389 63.499 62.100 0.015 0.000 1.139 261 T CB -0.324 68.558 68.868 0.024 0.000 0.871 261 T HN 0.387 nan 8.240 nan 0.000 0.454 262 L N 0.701 121.982 121.223 0.097 0.000 2.072 262 L HA -0.022 4.318 4.340 -0.001 0.000 0.205 262 L C 2.615 179.605 176.870 0.201 0.000 1.079 262 L CA 0.749 55.704 54.840 0.192 0.000 0.752 262 L CB -0.715 41.531 42.059 0.310 0.000 0.906 262 L HN 0.120 nan 8.230 nan 0.000 0.436 263 V N -0.591 119.342 119.914 0.031 0.000 2.594 263 V HA -0.211 3.908 4.120 -0.001 0.000 0.253 263 V C 2.246 178.236 176.094 -0.173 0.000 1.069 263 V CA 1.155 63.313 62.300 -0.236 0.000 1.082 263 V CB -0.238 31.358 31.823 -0.379 0.000 0.680 263 V HN 0.191 nan 8.190 nan 0.000 0.469 264 V N 0.096 119.951 119.914 -0.097 0.000 2.278 264 V HA -0.158 3.961 4.120 -0.001 0.000 0.238 264 V C 2.054 178.133 176.094 -0.025 0.000 1.039 264 V CA 2.046 64.293 62.300 -0.087 0.000 1.017 264 V CB -0.860 30.921 31.823 -0.072 0.000 0.657 264 V HN 0.519 nan 8.190 nan 0.000 0.462 265 N N 0.630 119.336 118.700 0.009 0.000 2.096 265 N HA -0.256 4.484 4.740 -0.001 0.000 0.195 265 N C 1.823 177.362 175.510 0.049 0.000 1.017 265 N CA 2.064 55.132 53.050 0.029 0.000 0.870 265 N CB -0.202 38.308 38.487 0.039 0.000 1.024 265 N HN 0.721 nan 8.380 nan 0.000 0.434 266 T N -1.247 113.360 114.554 0.088 0.000 2.942 266 T HA -0.043 4.307 4.350 -0.001 0.000 0.265 266 T C 1.628 176.378 174.700 0.084 0.000 1.062 266 T CA 0.483 62.652 62.100 0.114 0.000 1.139 266 T CB -0.113 68.887 68.868 0.221 0.000 0.883 266 T HN 0.122 nan 8.240 nan 0.000 0.468 267 M N 0.407 120.036 119.600 0.048 0.000 2.682 267 M HA 0.262 4.742 4.480 -0.001 0.000 0.235 267 M C 1.477 177.782 176.300 0.008 0.000 1.114 267 M CA 0.496 55.807 55.300 0.018 0.000 1.053 267 M CB -0.090 32.481 32.600 -0.048 0.000 1.599 267 M HN 0.116 nan 8.290 nan 0.000 0.520 268 R N -1.545 118.964 120.500 0.014 0.000 2.549 268 R HA 0.259 4.598 4.340 -0.001 0.000 0.344 268 R C 0.968 177.279 176.300 0.018 0.000 0.979 268 R CA 0.494 56.599 56.100 0.009 0.000 1.140 268 R CB 0.825 31.126 30.300 0.001 0.000 1.377 268 R HN 0.479 nan 8.270 nan 0.000 0.541 269 G N 1.710 110.528 108.800 0.029 0.000 2.184 269 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.264 269 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.264 269 G C 0.403 175.321 174.900 0.030 0.000 0.975 269 G CA 0.106 45.224 45.100 0.031 0.000 0.642 269 G HN 0.311 nan 8.290 nan 0.000 0.536 270 I N 1.318 121.906 120.570 0.030 0.000 2.528 270 I HA 0.378 4.548 4.170 -0.001 0.000 0.276 270 I C 0.553 176.692 176.117 0.037 0.000 1.056 270 I CA -0.301 61.016 61.300 0.028 0.000 1.858 270 I CB -0.399 37.614 38.000 0.021 0.000 1.448 270 I HN 0.126 nan 8.210 nan 0.000 0.776 271 V N 1.623 121.562 119.914 0.042 0.000 3.288 271 V HA -0.179 3.940 4.120 -0.001 0.000 0.473 271 V C -0.128 176.003 176.094 0.062 0.000 0.682 271 V CA -0.348 61.981 62.300 0.050 0.000 2.015 271 V CB -0.655 31.195 31.823 0.045 0.000 2.472 271 V HN 0.561 nan 8.190 nan 0.000 0.499 272 K N 3.693 124.130 120.400 0.062 0.000 2.312 272 K HA 0.722 5.042 4.320 -0.001 0.000 0.287 272 K C -0.423 176.206 176.600 0.050 0.000 1.062 272 K CA -0.126 56.200 56.287 0.066 0.000 0.934 272 K CB 1.437 33.970 32.500 0.055 0.000 1.027 272 K HN 0.584 nan 8.250 nan 0.000 0.478 273 V N 1.360 121.300 119.914 0.043 0.000 2.925 273 V HA 0.835 4.954 4.120 -0.001 0.000 0.311 273 V C -1.068 174.853 176.094 -0.289 0.000 1.104 273 V CA -1.118 61.153 62.300 -0.050 0.000 0.954 273 V CB 2.140 33.961 31.823 -0.005 0.000 1.022 273 V HN 0.763 nan 8.190 nan 0.000 0.427 274 A N 2.477 125.032 122.820 -0.442 0.000 2.427 274 A HA 0.989 5.308 4.320 -0.001 0.000 0.298 274 A C -0.606 176.630 177.584 -0.579 0.000 1.036 274 A CA -0.132 51.389 52.037 -0.859 0.000 0.701 274 A CB 1.796 20.558 19.000 -0.396 0.000 1.250 274 A HN 1.614 nan 8.150 nan 0.000 0.412 275 A N 1.230 123.645 122.820 -0.676 0.000 2.365 275 A HA 0.901 5.220 4.320 -0.001 0.000 0.318 275 A C -0.307 177.274 177.584 -0.005 0.000 1.091 275 A CA -0.119 51.809 52.037 -0.181 0.000 0.763 275 A CB 1.316 20.291 19.000 -0.041 0.000 1.248 275 A HN 2.307 nan 8.150 nan 0.000 0.442 276 V N -1.033 118.920 119.914 0.065 0.000 3.147 276 V HA 0.605 4.724 4.120 -0.001 0.000 0.306 276 V C -0.652 175.534 176.094 0.153 0.000 1.209 276 V CA -1.266 61.106 62.300 0.122 0.000 1.023 276 V CB 1.470 33.363 31.823 0.117 0.000 1.059 276 V HN 0.866 nan 8.190 nan 0.000 0.435 277 K N 1.748 122.244 120.400 0.159 0.000 2.237 277 K HA 0.696 5.015 4.320 -0.001 0.000 0.270 277 K C 0.443 177.154 176.600 0.185 0.000 1.015 277 K CA 0.267 56.642 56.287 0.146 0.000 0.949 277 K CB 1.402 33.976 32.500 0.123 0.000 0.976 277 K HN 1.143 nan 8.250 nan 0.000 0.472 278 A N 4.155 127.029 122.820 0.091 0.000 2.445 278 A HA 0.192 4.511 4.320 -0.001 0.000 0.242 278 A C -2.056 175.543 177.584 0.025 0.000 1.075 278 A CA -1.042 50.989 52.037 -0.010 0.000 0.777 278 A CB -0.375 18.601 19.000 -0.041 0.000 1.013 278 A HN 0.475 nan 8.150 nan 0.000 0.493 279 P HA 0.370 nan 4.420 nan 0.000 0.271 279 P C 0.663 177.988 177.300 0.042 0.000 1.216 279 P CA 1.449 64.573 63.100 0.039 0.000 0.776 279 P CB 0.643 32.291 31.700 -0.087 0.000 0.881 280 G N 2.335 111.209 108.800 0.123 0.000 2.752 280 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.234 280 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.234 280 G C -0.752 174.293 174.900 0.242 0.000 1.367 280 G CA 0.032 45.233 45.100 0.168 0.000 0.879 280 G HN 0.732 nan 8.290 nan 0.000 0.563 281 F N -2.362 117.603 119.950 0.024 0.000 2.692 281 F HA 0.845 5.372 4.527 -0.001 0.000 0.320 281 F C 1.172 176.984 175.800 0.020 0.000 1.123 281 F CA 0.187 58.201 58.000 0.022 0.000 0.961 281 F CB 0.822 39.840 39.000 0.030 0.000 1.383 281 F HN 2.425 nan 8.300 nan 0.000 0.483 282 G N 1.138 109.929 108.800 -0.014 0.000 2.611 282 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.301 282 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.301 282 G C 0.429 175.240 174.900 -0.149 0.000 1.233 282 G CA 0.823 45.844 45.100 -0.131 0.000 0.993 282 G HN 0.853 nan 8.290 nan 0.000 0.553 283 D N 1.220 121.509 120.400 -0.185 0.000 2.091 283 D HA -0.062 4.577 4.640 -0.001 0.000 0.199 283 D C 2.518 178.733 176.300 -0.142 0.000 0.980 283 D CA 1.724 55.647 54.000 -0.128 0.000 0.831 283 D CB -0.322 40.415 40.800 -0.105 0.000 0.987 283 D HN 0.624 nan 8.370 nan 0.000 0.460 284 R N 1.329 121.711 120.500 -0.198 0.000 2.261 284 R HA -0.091 4.248 4.340 -0.001 0.000 0.236 284 R C 2.034 178.252 176.300 -0.136 0.000 1.141 284 R CA 0.961 56.961 56.100 -0.168 0.000 1.001 284 R CB -0.644 29.539 30.300 -0.195 0.000 0.866 284 R HN 0.131 nan 8.270 nan 0.000 0.468 285 R N 1.521 121.940 120.500 -0.134 0.000 2.075 285 R HA -0.002 4.337 4.340 -0.001 0.000 0.226 285 R C 1.407 177.660 176.300 -0.078 0.000 1.114 285 R CA 1.298 57.349 56.100 -0.081 0.000 0.972 285 R CB 0.021 30.303 30.300 -0.031 0.000 0.869 285 R HN 0.273 nan 8.270 nan 0.000 0.437 286 K N 0.220 120.577 120.400 -0.072 0.000 2.057 286 K HA -0.030 4.290 4.320 -0.001 0.000 0.206 286 K C 2.156 178.715 176.600 -0.068 0.000 1.050 286 K CA 1.240 57.491 56.287 -0.060 0.000 0.935 286 K CB -0.124 32.347 32.500 -0.048 0.000 0.715 286 K HN 0.187 nan 8.250 nan 0.000 0.439 287 A N 1.597 124.372 122.820 -0.075 0.000 1.883 287 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 287 A C 2.156 179.692 177.584 -0.081 0.000 1.186 287 A CA 1.654 53.647 52.037 -0.072 0.000 0.624 287 A CB -0.511 18.443 19.000 -0.076 0.000 0.822 287 A HN 0.193 nan 8.150 nan 0.000 0.444 288 M N -0.914 118.626 119.600 -0.099 0.000 2.296 288 M HA -0.003 4.476 4.480 -0.001 0.000 0.265 288 M C 2.055 178.265 176.300 -0.150 0.000 1.064 288 M CA 0.942 56.168 55.300 -0.123 0.000 1.109 288 M CB -0.317 32.198 32.600 -0.141 0.000 1.396 288 M HN 0.384 nan 8.290 nan 0.000 0.430 289 L N -0.013 121.131 121.223 -0.132 0.000 2.201 289 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 289 L C 2.566 179.380 176.870 -0.093 0.000 1.105 289 L CA 1.114 55.877 54.840 -0.128 0.000 0.775 289 L CB -0.227 41.777 42.059 -0.092 0.000 0.913 289 L HN 0.324 nan 8.230 nan 0.000 0.440 290 Q N 0.211 119.966 119.800 -0.075 0.000 2.096 290 Q HA -0.185 4.155 4.340 -0.001 0.000 0.197 290 Q C 1.589 177.556 176.000 -0.055 0.000 0.964 290 Q CA 1.702 57.472 55.803 -0.055 0.000 0.838 290 Q CB -0.060 28.651 28.738 -0.046 0.000 0.906 290 Q HN 0.336 nan 8.270 nan 0.000 0.444 291 D N 0.067 120.427 120.400 -0.066 0.000 2.133 291 D HA -0.192 4.447 4.640 -0.001 0.000 0.192 291 D C 1.789 178.056 176.300 -0.055 0.000 1.001 291 D CA 1.640 55.605 54.000 -0.058 0.000 0.844 291 D CB -0.248 40.512 40.800 -0.067 0.000 0.944 291 D HN 0.367 nan 8.370 nan 0.000 0.447 292 I N 0.695 121.215 120.570 -0.083 0.000 2.226 292 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 292 I C 2.423 178.520 176.117 -0.035 0.000 1.100 292 I CA 1.015 62.273 61.300 -0.071 0.000 1.374 292 I CB -0.303 37.617 38.000 -0.134 0.000 1.057 292 I HN -0.040 nan 8.210 nan 0.000 0.413 293 A N 0.697 123.494 122.820 -0.037 0.000 1.865 293 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 293 A C 2.401 179.980 177.584 -0.009 0.000 1.191 293 A CA 2.595 54.621 52.037 -0.018 0.000 0.623 293 A CB -1.190 17.797 19.000 -0.021 0.000 0.826 293 A HN 0.385 nan 8.150 nan 0.000 0.444 294 T N 0.427 114.972 114.554 -0.015 0.000 2.788 294 T HA -0.112 4.238 4.350 -0.001 0.000 0.268 294 T C 1.819 176.515 174.700 -0.005 0.000 1.044 294 T CA 1.258 63.351 62.100 -0.010 0.000 1.139 294 T CB -0.280 68.579 68.868 -0.015 0.000 0.867 294 T HN 0.326 nan 8.240 nan 0.000 0.454 295 L N 1.979 123.198 121.223 -0.006 0.000 2.093 295 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 295 L C 2.274 179.147 176.870 0.006 0.000 1.085 295 L CA 2.253 57.094 54.840 0.000 0.000 0.755 295 L CB -1.270 40.791 42.059 0.003 0.000 0.904 295 L HN 0.439 nan 8.230 nan 0.000 0.435 296 T N -3.973 110.586 114.554 0.008 0.000 3.086 296 T HA 0.246 4.596 4.350 -0.001 0.000 0.250 296 T C 1.254 175.965 174.700 0.018 0.000 1.074 296 T CA 0.388 62.497 62.100 0.014 0.000 0.988 296 T CB -0.084 68.799 68.868 0.024 0.000 0.988 296 T HN 0.548 nan 8.240 nan 0.000 0.530 297 G N 0.558 109.366 108.800 0.014 0.000 2.272 297 G HA2 0.082 4.041 3.960 -0.001 0.000 0.280 297 G HA3 0.082 4.041 3.960 -0.001 0.000 0.280 297 G C 0.275 175.191 174.900 0.028 0.000 1.067 297 G CA -0.170 44.941 45.100 0.017 0.000 0.902 297 G HN 1.045 nan 8.290 nan 0.000 0.500 298 G N -1.668 107.147 108.800 0.025 0.000 2.735 298 G HA2 0.819 4.778 3.960 -0.001 0.000 0.301 298 G HA3 0.819 4.778 3.960 -0.001 0.000 0.301 298 G C -0.485 174.423 174.900 0.014 0.000 1.279 298 G CA 0.095 45.214 45.100 0.031 0.000 1.019 298 G HN 0.638 nan 8.290 nan 0.000 0.497 299 T N 0.264 114.825 114.554 0.012 0.000 2.807 299 T HA 0.443 4.793 4.350 -0.001 0.000 0.279 299 T C -0.074 174.624 174.700 -0.003 0.000 0.993 299 T CA -0.276 61.825 62.100 0.002 0.000 0.970 299 T CB 1.723 70.591 68.868 0.001 0.000 0.950 299 T HN 0.327 nan 8.240 nan 0.000 0.441 300 V N 4.723 124.631 119.914 -0.009 0.000 2.508 300 V HA 0.242 4.362 4.120 -0.001 0.000 0.281 300 V C 0.402 176.490 176.094 -0.010 0.000 1.041 300 V CA -0.360 61.932 62.300 -0.013 0.000 1.016 300 V CB 0.281 32.092 31.823 -0.021 0.000 0.984 300 V HN 0.767 nan 8.190 nan 0.000 0.478 301 I N 5.433 125.998 120.570 -0.008 0.000 2.256 301 I HA 0.229 4.398 4.170 -0.001 0.000 0.294 301 I C 0.545 176.658 176.117 -0.006 0.000 1.127 301 I CA 0.172 61.468 61.300 -0.007 0.000 1.247 301 I CB 0.504 38.501 38.000 -0.005 0.000 1.460 301 I HN 0.688 nan 8.210 nan 0.000 0.511 302 S N 3.144 118.839 115.700 -0.007 0.000 2.462 302 S HA 0.339 4.808 4.470 -0.001 0.000 0.294 302 S C 0.683 175.281 174.600 -0.003 0.000 1.144 302 S CA -0.796 57.401 58.200 -0.006 0.000 1.088 302 S CB 1.856 65.051 63.200 -0.009 0.000 1.009 302 S HN 0.589 nan 8.310 nan 0.000 0.484 303 E N 2.052 122.252 120.200 -0.001 0.000 2.204 303 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 303 E C 1.496 178.096 176.600 -0.000 0.000 0.990 303 E CA 1.302 57.702 56.400 0.001 0.000 0.821 303 E CB -0.059 29.643 29.700 0.004 0.000 0.750 303 E HN 0.821 nan 8.360 nan 0.000 0.477 304 E N 0.920 121.119 120.200 -0.001 0.000 2.021 304 E HA -0.206 4.143 4.350 -0.001 0.000 0.200 304 E C 1.954 178.552 176.600 -0.003 0.000 1.015 304 E CA 1.147 57.546 56.400 -0.002 0.000 0.824 304 E CB -0.235 29.462 29.700 -0.004 0.000 0.762 304 E HN 0.303 nan 8.360 nan 0.000 0.454 305 I N 0.544 121.111 120.570 -0.005 0.000 3.241 305 I HA -0.058 4.111 4.170 -0.001 0.000 0.280 305 I C 0.963 177.077 176.117 -0.004 0.000 1.320 305 I CA 0.567 61.864 61.300 -0.005 0.000 1.413 305 I CB -0.792 37.204 38.000 -0.006 0.000 1.060 305 I HN 0.278 nan 8.210 nan 0.000 0.500 306 G N 1.808 110.607 108.800 -0.003 0.000 2.291 306 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.271 306 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.271 306 G C -0.061 174.838 174.900 -0.003 0.000 1.099 306 G CA -0.168 44.931 45.100 -0.002 0.000 0.919 306 G HN 0.283 nan 8.290 nan 0.000 0.496 307 M N -0.584 119.014 119.600 -0.003 0.000 2.654 307 M HA 0.672 5.151 4.480 -0.001 0.000 0.310 307 M C 0.267 176.565 176.300 -0.004 0.000 1.211 307 M CA -0.506 54.791 55.300 -0.004 0.000 0.947 307 M CB 1.732 34.329 32.600 -0.005 0.000 1.647 307 M HN 0.256 nan 8.290 nan 0.000 0.481 308 E N 0.666 120.863 120.200 -0.005 0.000 2.314 308 E HA 0.306 4.656 4.350 -0.001 0.000 0.272 308 E C -0.093 176.503 176.600 -0.007 0.000 0.884 308 E CA -0.462 55.935 56.400 -0.005 0.000 0.753 308 E CB 2.388 32.086 29.700 -0.005 0.000 1.213 308 E HN 0.610 nan 8.360 nan 0.000 0.432 309 L N 1.431 122.651 121.223 -0.006 0.000 2.291 309 L HA -0.125 4.214 4.340 -0.001 0.000 0.214 309 L C 1.422 178.284 176.870 -0.013 0.000 1.120 309 L CA 1.097 55.931 54.840 -0.009 0.000 0.799 309 L CB -0.162 41.894 42.059 -0.004 0.000 0.925 309 L HN 0.537 nan 8.230 nan 0.000 0.446 310 E N 0.244 120.438 120.200 -0.010 0.000 2.274 310 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 310 E C 1.271 177.862 176.600 -0.016 0.000 0.996 310 E CA 0.781 57.173 56.400 -0.012 0.000 0.840 310 E CB 0.078 29.773 29.700 -0.008 0.000 0.772 310 E HN 0.318 nan 8.360 nan 0.000 0.491 311 K N 0.061 120.452 120.400 -0.015 0.000 2.440 311 K HA 0.365 4.685 4.320 -0.001 0.000 0.206 311 K C -0.330 176.258 176.600 -0.021 0.000 1.025 311 K CA -0.202 56.075 56.287 -0.016 0.000 1.135 311 K CB 1.260 33.752 32.500 -0.012 0.000 0.856 311 K HN -0.030 nan 8.250 nan 0.000 0.502 312 A N 1.756 124.561 122.820 -0.025 0.000 2.289 312 A HA 0.332 4.652 4.320 -0.001 0.000 0.298 312 A C 0.353 177.908 177.584 -0.048 0.000 1.208 312 A CA -0.397 51.622 52.037 -0.031 0.000 0.845 312 A CB 0.283 19.266 19.000 -0.029 0.000 1.125 312 A HN 0.223 nan 8.150 nan 0.000 0.517 313 T N 0.171 114.694 114.554 -0.052 0.000 2.948 313 T HA 0.503 4.853 4.350 -0.001 0.000 0.285 313 T C 1.167 175.803 174.700 -0.106 0.000 1.019 313 T CA -0.779 61.277 62.100 -0.073 0.000 1.013 313 T CB 0.625 69.462 68.868 -0.052 0.000 1.117 313 T HN 0.363 nan 8.240 nan 0.000 0.533 314 L N 0.105 121.229 121.223 -0.165 0.000 2.189 314 L HA -0.135 4.205 4.340 -0.001 0.000 0.214 314 L C 2.903 179.714 176.870 -0.098 0.000 1.097 314 L CA 1.812 56.491 54.840 -0.268 0.000 0.764 314 L CB -0.576 41.276 42.059 -0.346 0.000 0.900 314 L HN 0.897 nan 8.230 nan 0.000 0.436 315 E N 0.137 120.312 120.200 -0.042 0.000 2.153 315 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 315 E C 1.391 178.000 176.600 0.015 0.000 0.988 315 E CA 1.248 57.651 56.400 0.007 0.000 0.811 315 E CB 0.156 29.856 29.700 -0.000 0.000 0.746 315 E HN 0.501 nan 8.360 nan 0.000 0.466 316 D N -0.023 120.375 120.400 -0.005 0.000 2.289 316 D HA -0.039 4.601 4.640 -0.001 0.000 0.207 316 D C 0.166 176.480 176.300 0.023 0.000 0.966 316 D CA 0.214 54.216 54.000 0.004 0.000 0.868 316 D CB 0.157 40.951 40.800 -0.010 0.000 0.943 316 D HN 0.126 nan 8.370 nan 0.000 0.514 317 L N 1.103 122.346 121.223 0.032 0.000 2.456 317 L HA 0.222 4.562 4.340 -0.001 0.000 0.272 317 L C 1.500 178.461 176.870 0.152 0.000 1.189 317 L CA 0.182 55.079 54.840 0.095 0.000 0.846 317 L CB 0.511 42.634 42.059 0.106 0.000 1.111 317 L HN -0.157 nan 8.230 nan 0.000 0.475 318 G N 1.553 110.429 108.800 0.127 0.000 2.563 318 G HA2 0.497 4.456 3.960 -0.001 0.000 0.283 318 G HA3 0.497 4.456 3.960 -0.001 0.000 0.283 318 G C -0.918 174.047 174.900 0.108 0.000 1.309 318 G CA -0.213 44.944 45.100 0.094 0.000 1.022 318 G HN 0.583 nan 8.290 nan 0.000 0.501 319 Q N -2.061 117.760 119.800 0.035 0.000 2.438 319 Q HA 0.551 4.890 4.340 -0.001 0.000 0.272 319 Q C -1.296 174.677 176.000 -0.046 0.000 0.994 319 Q CA -0.625 55.153 55.803 -0.042 0.000 0.887 319 Q CB 1.988 30.673 28.738 -0.090 0.000 1.432 319 Q HN 1.055 nan 8.270 nan 0.000 0.392 320 A N 2.305 125.082 122.820 -0.071 0.000 2.587 320 A HA 0.461 4.781 4.320 -0.001 0.000 0.293 320 A C -0.557 176.988 177.584 -0.065 0.000 1.087 320 A CA -0.622 51.387 52.037 -0.047 0.000 0.692 320 A CB 1.628 20.620 19.000 -0.014 0.000 1.291 320 A HN 0.808 nan 8.150 nan 0.000 0.407 321 K N -0.466 119.905 120.400 -0.047 0.000 2.211 321 K HA -0.010 4.309 4.320 -0.001 0.000 0.203 321 K C 0.687 177.263 176.600 -0.040 0.000 1.050 321 K CA 1.351 57.610 56.287 -0.048 0.000 0.945 321 K CB 0.122 32.602 32.500 -0.034 0.000 0.732 321 K HN 0.557 nan 8.250 nan 0.000 0.451 322 R N -0.205 120.278 120.500 -0.027 0.000 2.644 322 R HA 0.152 4.491 4.340 -0.001 0.000 0.257 322 R C -2.007 174.289 176.300 -0.008 0.000 1.082 322 R CA -0.549 55.540 56.100 -0.018 0.000 0.927 322 R CB 1.603 31.894 30.300 -0.014 0.000 1.258 322 R HN -0.052 nan 8.270 nan 0.000 0.459 323 V N 0.602 120.513 119.914 -0.005 0.000 2.789 323 V HA 0.869 4.988 4.120 -0.001 0.000 0.311 323 V C -1.268 174.824 176.094 -0.003 0.000 1.073 323 V CA -0.639 61.661 62.300 -0.000 0.000 0.921 323 V CB 2.153 33.981 31.823 0.008 0.000 1.009 323 V HN 0.433 nan 8.190 nan 0.000 0.426 324 V N 5.351 125.257 119.914 -0.012 0.000 2.531 324 V HA 0.602 4.722 4.120 -0.001 0.000 0.301 324 V C -0.307 175.771 176.094 -0.027 0.000 1.034 324 V CA -0.350 61.946 62.300 -0.006 0.000 0.865 324 V CB 1.621 33.444 31.823 -0.000 0.000 0.995 324 V HN 0.873 nan 8.190 nan 0.000 0.424 325 I N 4.043 124.619 120.570 0.009 0.000 2.474 325 I HA 0.533 4.703 4.170 -0.001 0.000 0.294 325 I C -0.039 176.120 176.117 0.069 0.000 1.005 325 I CA -0.482 60.821 61.300 0.004 0.000 1.113 325 I CB 2.051 40.084 38.000 0.055 0.000 1.289 325 I HN 0.563 nan 8.210 nan 0.000 0.436 326 N N 3.517 122.193 118.700 -0.039 0.000 2.867 326 N HA 0.275 5.015 4.740 -0.001 0.000 0.326 326 N C 0.776 176.062 175.510 -0.373 0.000 1.355 326 N CA -0.564 52.454 53.050 -0.053 0.000 0.830 326 N CB 0.736 39.164 38.487 -0.097 0.000 1.152 326 N HN 0.513 nan 8.380 nan 0.000 0.569 327 K N 0.081 120.256 120.400 -0.375 0.000 2.167 327 K HA -0.071 4.248 4.320 -0.001 0.000 0.203 327 K C -0.587 175.704 176.600 -0.515 0.000 1.052 327 K CA 1.568 57.463 56.287 -0.653 0.000 0.956 327 K CB 0.077 32.444 32.500 -0.221 0.000 0.735 327 K HN 0.500 nan 8.250 nan 0.000 0.451 328 D N -0.799 119.416 120.400 -0.309 0.000 2.712 328 D HA 0.122 4.761 4.640 -0.001 0.000 0.300 328 D C -0.972 175.217 176.300 -0.185 0.000 1.521 328 D CA -0.384 53.487 54.000 -0.216 0.000 0.790 328 D CB 1.156 41.872 40.800 -0.140 0.000 1.155 328 D HN -0.155 nan 8.370 nan 0.000 0.456 329 T N -0.030 114.391 114.554 -0.221 0.000 3.172 329 T HA 0.486 4.836 4.350 -0.001 0.000 0.320 329 T C -1.182 173.334 174.700 -0.307 0.000 1.085 329 T CA -0.355 61.604 62.100 -0.236 0.000 1.052 329 T CB 1.944 70.723 68.868 -0.149 0.000 1.107 329 T HN -0.136 nan 8.240 nan 0.000 0.458 330 T N 2.597 116.820 114.554 -0.551 0.000 2.792 330 T HA 0.639 4.989 4.350 -0.001 0.000 0.280 330 T C -0.366 174.025 174.700 -0.516 0.000 0.990 330 T CA -0.492 61.239 62.100 -0.615 0.000 0.960 330 T CB 1.423 69.661 68.868 -1.050 0.000 0.939 330 T HN 0.588 nan 8.240 nan 0.000 0.439 331 T N 3.967 118.391 114.554 -0.217 0.000 2.890 331 T HA 0.595 4.944 4.350 -0.001 0.000 0.295 331 T C -0.535 174.160 174.700 -0.009 0.000 0.993 331 T CA -0.692 61.359 62.100 -0.082 0.000 0.979 331 T CB 0.070 68.906 68.868 -0.052 0.000 0.967 331 T HN 0.473 nan 8.240 nan 0.000 0.441 332 I N 6.287 126.889 120.570 0.054 0.000 2.325 332 I HA 0.403 4.572 4.170 -0.001 0.000 0.291 332 I C -0.080 176.059 176.117 0.036 0.000 1.019 332 I CA -0.652 60.684 61.300 0.061 0.000 1.302 332 I CB 1.030 39.094 38.000 0.107 0.000 1.401 332 I HN 0.558 nan 8.210 nan 0.000 0.485 333 I N 5.892 126.473 120.570 0.017 0.000 2.339 333 I HA 0.240 4.410 4.170 -0.001 0.000 0.290 333 I C -0.428 175.690 176.117 0.001 0.000 0.994 333 I CA -0.472 60.833 61.300 0.008 0.000 1.191 333 I CB 1.131 39.132 38.000 0.001 0.000 1.343 333 I HN 0.579 nan 8.210 nan 0.000 0.458 334 D N 4.937 125.338 120.400 0.002 0.000 3.620 334 D HA -0.113 4.526 4.640 -0.001 0.000 0.237 334 D C 0.049 176.345 176.300 -0.007 0.000 1.111 334 D CA 0.943 54.941 54.000 -0.004 0.000 1.070 334 D CB -0.135 40.658 40.800 -0.010 0.000 0.891 334 D HN 0.829 nan 8.370 nan 0.000 0.412 335 G N 1.031 109.830 108.800 -0.001 0.000 2.420 335 G HA2 0.437 4.397 3.960 -0.001 0.000 0.284 335 G HA3 0.437 4.397 3.960 -0.001 0.000 0.284 335 G C 1.279 176.176 174.900 -0.006 0.000 1.177 335 G CA -0.492 44.607 45.100 -0.002 0.000 0.841 335 G HN 0.407 nan 8.290 nan 0.000 0.527 336 V N 1.996 121.903 119.914 -0.010 0.000 3.444 336 V HA 0.038 4.158 4.120 -0.001 0.000 0.271 336 V C 2.038 178.131 176.094 -0.001 0.000 1.188 336 V CA 0.601 62.895 62.300 -0.009 0.000 1.168 336 V CB -1.215 30.601 31.823 -0.013 0.000 0.810 336 V HN 0.795 nan 8.190 nan 0.000 0.500 337 G N 0.859 109.660 108.800 0.001 0.000 2.391 337 G HA2 0.062 4.022 3.960 -0.001 0.000 0.234 337 G HA3 0.062 4.022 3.960 -0.001 0.000 0.234 337 G C 0.008 174.909 174.900 0.000 0.000 1.284 337 G CA -0.225 44.877 45.100 0.002 0.000 0.873 337 G HN 0.287 nan 8.290 nan 0.000 0.549 338 E N 1.746 121.947 120.200 0.001 0.000 2.316 338 E HA 0.033 4.383 4.350 -0.001 0.000 0.275 338 E C 1.305 177.905 176.600 -0.001 0.000 1.029 338 E CA -0.413 55.987 56.400 -0.000 0.000 0.871 338 E CB 1.044 30.744 29.700 0.001 0.000 1.022 338 E HN 0.563 nan 8.360 nan 0.000 0.418 339 E N 2.334 122.533 120.200 -0.002 0.000 2.187 339 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 339 E C 1.566 178.165 176.600 -0.003 0.000 1.004 339 E CA 1.404 57.803 56.400 -0.002 0.000 0.813 339 E CB -0.301 29.397 29.700 -0.002 0.000 0.736 339 E HN 0.549 nan 8.360 nan 0.000 0.468 340 A N 1.809 124.627 122.820 -0.002 0.000 1.841 340 A HA 0.004 4.323 4.320 -0.001 0.000 0.214 340 A C 2.518 180.100 177.584 -0.004 0.000 1.195 340 A CA 2.214 54.249 52.037 -0.003 0.000 0.611 340 A CB -0.937 18.062 19.000 -0.002 0.000 0.835 340 A HN 0.293 nan 8.150 nan 0.000 0.443 341 A N 0.084 122.902 122.820 -0.003 0.000 1.859 341 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 341 A C 2.166 179.747 177.584 -0.006 0.000 1.198 341 A CA 1.837 53.872 52.037 -0.004 0.000 0.629 341 A CB -0.851 18.147 19.000 -0.003 0.000 0.830 341 A HN 0.519 nan 8.150 nan 0.000 0.446 342 I N -1.256 119.311 120.570 -0.005 0.000 2.091 342 I HA -0.312 3.857 4.170 -0.001 0.000 0.239 342 I C 2.780 178.893 176.117 -0.007 0.000 1.061 342 I CA 1.984 63.280 61.300 -0.006 0.000 1.317 342 I CB -0.443 37.555 38.000 -0.004 0.000 1.031 342 I HN 0.331 nan 8.210 nan 0.000 0.401 343 Q N 0.942 120.739 119.800 -0.006 0.000 2.297 343 Q HA -0.133 4.206 4.340 -0.001 0.000 0.208 343 Q C 1.955 177.951 176.000 -0.007 0.000 0.981 343 Q CA 1.677 57.476 55.803 -0.006 0.000 0.876 343 Q CB -0.578 28.157 28.738 -0.005 0.000 0.921 343 Q HN 0.568 nan 8.270 nan 0.000 0.446 344 G N -0.649 108.147 108.800 -0.008 0.000 2.408 344 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.215 344 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.215 344 G C 1.528 176.422 174.900 -0.011 0.000 1.156 344 G CA 0.572 45.667 45.100 -0.008 0.000 0.793 344 G HN 0.262 nan 8.290 nan 0.000 0.535 345 R N 0.562 121.055 120.500 -0.012 0.000 2.075 345 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 345 R C 2.509 178.798 176.300 -0.017 0.000 1.126 345 R CA 1.363 57.454 56.100 -0.016 0.000 0.963 345 R CB -0.920 29.369 30.300 -0.017 0.000 0.858 345 R HN 0.181 nan 8.270 nan 0.000 0.435 346 V N 1.050 120.955 119.914 -0.014 0.000 2.469 346 V HA -0.245 3.874 4.120 -0.001 0.000 0.251 346 V C 2.357 178.443 176.094 -0.014 0.000 1.064 346 V CA 1.883 64.174 62.300 -0.014 0.000 1.066 346 V CB -1.079 30.738 31.823 -0.011 0.000 0.667 346 V HN 0.528 nan 8.190 nan 0.000 0.461 347 A N -0.320 122.493 122.820 -0.013 0.000 1.845 347 A HA -0.282 4.038 4.320 -0.001 0.000 0.215 347 A C 2.191 179.766 177.584 -0.014 0.000 1.195 347 A CA 1.984 54.014 52.037 -0.012 0.000 0.616 347 A CB -0.571 18.423 19.000 -0.010 0.000 0.832 347 A HN 0.602 nan 8.150 nan 0.000 0.443 348 Q N -0.283 119.508 119.800 -0.015 0.000 2.029 348 Q HA -0.212 4.127 4.340 -0.001 0.000 0.209 348 Q C 2.098 178.086 176.000 -0.020 0.000 0.999 348 Q CA 1.967 57.760 55.803 -0.017 0.000 0.857 348 Q CB -0.537 28.189 28.738 -0.019 0.000 0.926 348 Q HN 0.736 nan 8.270 nan 0.000 0.415 349 I N 0.248 120.804 120.570 -0.023 0.000 2.264 349 I HA -0.293 3.877 4.170 -0.001 0.000 0.248 349 I C 2.587 178.689 176.117 -0.025 0.000 1.111 349 I CA 1.244 62.528 61.300 -0.028 0.000 1.382 349 I CB -0.327 37.655 38.000 -0.031 0.000 1.060 349 I HN 0.166 nan 8.210 nan 0.000 0.418 350 R N 0.298 120.786 120.500 -0.020 0.000 2.235 350 R HA -0.129 4.211 4.340 -0.001 0.000 0.213 350 R C 2.316 178.606 176.300 -0.016 0.000 1.059 350 R CA 0.783 56.872 56.100 -0.017 0.000 0.997 350 R CB 0.072 30.363 30.300 -0.014 0.000 0.884 350 R HN 0.320 nan 8.270 nan 0.000 0.462 351 Q N -0.090 119.701 119.800 -0.016 0.000 2.163 351 Q HA -0.070 4.269 4.340 -0.001 0.000 0.198 351 Q C 1.838 177.829 176.000 -0.015 0.000 0.954 351 Q CA 1.016 56.811 55.803 -0.014 0.000 0.851 351 Q CB 0.280 29.011 28.738 -0.013 0.000 0.928 351 Q HN 0.415 nan 8.270 nan 0.000 0.459 352 Q N 0.380 120.169 119.800 -0.019 0.000 2.135 352 Q HA -0.132 4.208 4.340 -0.001 0.000 0.204 352 Q C 2.180 178.167 176.000 -0.022 0.000 0.981 352 Q CA 1.018 56.808 55.803 -0.022 0.000 0.856 352 Q CB -0.366 28.355 28.738 -0.029 0.000 0.902 352 Q HN 0.453 nan 8.270 nan 0.000 0.425 353 I N 1.153 121.710 120.570 -0.023 0.000 2.423 353 I HA -0.252 3.918 4.170 -0.001 0.000 0.254 353 I C 2.152 178.260 176.117 -0.014 0.000 1.151 353 I CA 0.993 62.280 61.300 -0.022 0.000 1.421 353 I CB -0.259 37.728 38.000 -0.021 0.000 1.079 353 I HN 0.128 nan 8.210 nan 0.000 0.431 354 E N 1.178 121.371 120.200 -0.012 0.000 2.021 354 E HA -0.151 4.199 4.350 -0.001 0.000 0.189 354 E C 1.750 178.346 176.600 -0.006 0.000 0.980 354 E CA 1.059 57.454 56.400 -0.008 0.000 0.803 354 E CB -0.381 29.315 29.700 -0.007 0.000 0.766 354 E HN 0.559 nan 8.360 nan 0.000 0.449 355 E N 1.116 121.311 120.200 -0.008 0.000 2.520 355 E HA 0.101 4.450 4.350 -0.001 0.000 0.201 355 E C 0.064 176.661 176.600 -0.005 0.000 1.122 355 E CA -0.033 56.364 56.400 -0.006 0.000 0.896 355 E CB -0.004 29.691 29.700 -0.008 0.000 0.891 355 E HN 0.064 nan 8.360 nan 0.000 0.533 356 A N 1.523 124.340 122.820 -0.006 0.000 2.396 356 A HA 0.103 4.422 4.320 -0.001 0.000 0.279 356 A C 1.304 178.891 177.584 0.005 0.000 1.165 356 A CA -0.231 51.804 52.037 -0.003 0.000 0.824 356 A CB 0.047 19.042 19.000 -0.008 0.000 1.100 356 A HN 0.228 nan 8.150 nan 0.000 0.516 357 T N -0.381 114.179 114.554 0.010 0.000 3.107 357 T HA 0.280 4.630 4.350 -0.001 0.000 0.249 357 T C 0.704 175.418 174.700 0.023 0.000 1.096 357 T CA 0.635 62.743 62.100 0.014 0.000 1.012 357 T CB -0.149 68.727 68.868 0.013 0.000 0.977 357 T HN 0.673 nan 8.240 nan 0.000 0.527 358 S N -1.023 114.695 115.700 0.031 0.000 2.651 358 S HA 0.392 4.861 4.470 -0.001 0.000 0.279 358 S C -0.151 174.481 174.600 0.053 0.000 1.148 358 S CA -0.670 57.559 58.200 0.049 0.000 0.837 358 S CB 1.753 64.998 63.200 0.076 0.000 1.138 358 S HN 0.086 nan 8.310 nan 0.000 0.478 359 D N 0.566 121.008 120.400 0.070 0.000 2.110 359 D HA -0.058 4.582 4.640 -0.001 0.000 0.202 359 D C 1.452 177.805 176.300 0.088 0.000 0.975 359 D CA 1.247 55.287 54.000 0.066 0.000 0.839 359 D CB -0.359 40.482 40.800 0.068 0.000 0.996 359 D HN 0.637 nan 8.370 nan 0.000 0.464 360 Y N 2.448 122.750 120.300 0.004 0.000 2.102 360 Y HA -0.279 4.271 4.550 -0.001 0.000 0.280 360 Y C 1.541 177.441 175.900 -0.001 0.000 1.178 360 Y CA 2.153 60.256 58.100 0.005 0.000 1.146 360 Y CB -0.443 38.021 38.460 0.008 0.000 0.968 360 Y HN -0.079 nan 8.280 nan 0.000 0.504 361 D N -0.770 119.631 120.400 0.001 0.000 2.218 361 D HA -0.135 4.504 4.640 -0.001 0.000 0.204 361 D C 2.219 178.451 176.300 -0.113 0.000 0.976 361 D CA 1.364 55.309 54.000 -0.093 0.000 0.853 361 D CB -0.230 40.575 40.800 0.007 0.000 0.939 361 D HN 0.337 nan 8.370 nan 0.000 0.481 362 R N 0.488 120.949 120.500 -0.065 0.000 2.062 362 R HA -0.080 4.260 4.340 -0.001 0.000 0.226 362 R C 1.797 178.050 176.300 -0.079 0.000 1.125 362 R CA 0.864 56.932 56.100 -0.054 0.000 0.966 362 R CB 0.172 30.460 30.300 -0.020 0.000 0.861 362 R HN 0.069 nan 8.270 nan 0.000 0.433 363 E N 1.061 121.205 120.200 -0.094 0.000 2.049 363 E HA -0.232 4.117 4.350 -0.001 0.000 0.198 363 E C 1.823 178.339 176.600 -0.141 0.000 1.007 363 E CA 1.168 57.509 56.400 -0.097 0.000 0.809 363 E CB -0.184 29.463 29.700 -0.088 0.000 0.749 363 E HN 0.211 nan 8.360 nan 0.000 0.450 364 K N 0.733 120.981 120.400 -0.253 0.000 2.103 364 K HA -0.062 4.257 4.320 -0.001 0.000 0.207 364 K C 2.430 178.940 176.600 -0.150 0.000 1.048 364 K CA 0.639 56.778 56.287 -0.248 0.000 0.930 364 K CB -0.476 31.787 32.500 -0.394 0.000 0.716 364 K HN 0.207 nan 8.250 nan 0.000 0.444 365 L N 1.017 122.163 121.223 -0.127 0.000 2.072 365 L HA -0.165 4.175 4.340 -0.001 0.000 0.205 365 L C 2.580 179.412 176.870 -0.062 0.000 1.079 365 L CA 0.974 55.763 54.840 -0.085 0.000 0.752 365 L CB -0.404 41.613 42.059 -0.070 0.000 0.906 365 L HN 0.155 nan 8.230 nan 0.000 0.436 366 Q N 0.173 119.938 119.800 -0.058 0.000 2.135 366 Q HA -0.237 4.102 4.340 -0.001 0.000 0.204 366 Q C 2.008 177.988 176.000 -0.035 0.000 0.981 366 Q CA 1.467 57.247 55.803 -0.039 0.000 0.856 366 Q CB -0.189 28.529 28.738 -0.033 0.000 0.902 366 Q HN 0.600 nan 8.270 nan 0.000 0.425 367 E N 0.383 120.556 120.200 -0.045 0.000 2.051 367 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 367 E C 2.164 178.749 176.600 -0.025 0.000 0.991 367 E CA 0.759 57.140 56.400 -0.032 0.000 0.799 367 E CB -0.042 29.633 29.700 -0.041 0.000 0.748 367 E HN 0.277 nan 8.360 nan 0.000 0.449 368 R N 0.429 120.906 120.500 -0.038 0.000 2.081 368 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 368 R C 2.688 178.974 176.300 -0.024 0.000 1.131 368 R CA 1.673 57.753 56.100 -0.034 0.000 0.960 368 R CB -0.638 29.632 30.300 -0.049 0.000 0.856 368 R HN 0.223 nan 8.270 nan 0.000 0.436 369 V N -1.539 118.361 119.914 -0.025 0.000 2.427 369 V HA -0.085 4.034 4.120 -0.001 0.000 0.248 369 V C 2.392 178.480 176.094 -0.010 0.000 1.051 369 V CA 1.623 63.912 62.300 -0.018 0.000 1.048 369 V CB -1.084 30.729 31.823 -0.018 0.000 0.666 369 V HN 0.235 nan 8.190 nan 0.000 0.456 370 A N 0.759 123.573 122.820 -0.009 0.000 1.892 370 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 370 A C 2.344 179.931 177.584 0.005 0.000 1.188 370 A CA 2.551 54.587 52.037 -0.002 0.000 0.631 370 A CB -0.635 18.364 19.000 -0.001 0.000 0.822 370 A HN 0.633 nan 8.150 nan 0.000 0.447 371 K N -1.182 119.223 120.400 0.007 0.000 1.973 371 K HA -0.089 4.231 4.320 -0.001 0.000 0.212 371 K C 1.938 178.547 176.600 0.015 0.000 1.047 371 K CA 1.343 57.641 56.287 0.019 0.000 0.937 371 K CB -0.442 32.074 32.500 0.026 0.000 0.721 371 K HN 0.295 nan 8.250 nan 0.000 0.440 372 L N 1.069 122.295 121.223 0.005 0.000 1.944 372 L HA -0.230 4.110 4.340 -0.001 0.000 0.218 372 L C 2.361 179.232 176.870 0.002 0.000 1.075 372 L CA 2.182 57.023 54.840 0.001 0.000 0.767 372 L CB -1.045 41.009 42.059 -0.008 0.000 0.890 372 L HN 0.243 nan 8.230 nan 0.000 0.434 373 A N -1.065 121.755 122.820 -0.001 0.000 1.972 373 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 373 A C 2.331 179.916 177.584 0.002 0.000 1.169 373 A CA 1.588 53.624 52.037 -0.001 0.000 0.635 373 A CB -1.398 17.600 19.000 -0.003 0.000 0.810 373 A HN 0.537 nan 8.150 nan 0.000 0.446 374 G N -0.983 107.819 108.800 0.005 0.000 2.440 374 G HA2 0.286 4.245 3.960 -0.001 0.000 0.218 374 G HA3 0.286 4.245 3.960 -0.001 0.000 0.218 374 G C 1.299 176.204 174.900 0.008 0.000 1.154 374 G CA 1.053 46.157 45.100 0.007 0.000 0.767 374 G HN 1.751 nan 8.290 nan 0.000 0.552 375 G N -1.848 106.959 108.800 0.011 0.000 2.593 375 G HA2 0.034 3.993 3.960 -0.001 0.000 0.237 375 G HA3 0.034 3.993 3.960 -0.001 0.000 0.237 375 G C -0.665 174.243 174.900 0.013 0.000 1.312 375 G CA -0.172 44.934 45.100 0.011 0.000 0.896 375 G HN 1.170 nan 8.290 nan 0.000 0.574 376 V N 0.232 120.152 119.914 0.010 0.000 2.711 376 V HA 0.695 4.814 4.120 -0.001 0.000 0.304 376 V C 0.605 176.702 176.094 0.004 0.000 1.097 376 V CA -0.048 62.257 62.300 0.009 0.000 0.906 376 V CB 1.290 33.120 31.823 0.012 0.000 1.015 376 V HN 2.207 nan 8.190 nan 0.000 0.427 377 A N 4.380 127.202 122.820 0.002 0.000 2.363 377 A HA 0.767 5.087 4.320 -0.001 0.000 0.270 377 A C -0.471 177.110 177.584 -0.005 0.000 1.121 377 A CA -0.285 51.751 52.037 -0.002 0.000 0.800 377 A CB 0.857 19.855 19.000 -0.003 0.000 1.052 377 A HN 0.841 nan 8.150 nan 0.000 0.493 378 V N 4.459 124.369 119.914 -0.007 0.000 2.409 378 V HA 0.286 4.406 4.120 -0.001 0.000 0.290 378 V C -0.352 175.735 176.094 -0.011 0.000 1.017 378 V CA -0.101 62.194 62.300 -0.009 0.000 0.841 378 V CB 1.192 33.010 31.823 -0.008 0.000 1.003 378 V HN 0.739 nan 8.190 nan 0.000 0.426 379 I N 4.820 125.381 120.570 -0.015 0.000 2.297 379 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 379 I C 0.214 176.321 176.117 -0.017 0.000 1.033 379 I CA -0.396 60.893 61.300 -0.017 0.000 1.253 379 I CB 1.099 39.085 38.000 -0.023 0.000 1.396 379 I HN 0.468 nan 8.210 nan 0.000 0.476 380 K N 5.606 125.997 120.400 -0.014 0.000 2.263 380 K HA 0.419 4.739 4.320 -0.001 0.000 0.272 380 K C -0.776 175.816 176.600 -0.013 0.000 1.033 380 K CA -0.535 55.744 56.287 -0.013 0.000 0.884 380 K CB 1.639 34.133 32.500 -0.011 0.000 1.107 380 K HN 0.338 nan 8.250 nan 0.000 0.460 381 V N 3.040 122.945 119.914 -0.014 0.000 2.455 381 V HA 0.229 4.348 4.120 -0.001 0.000 0.273 381 V C 0.860 176.948 176.094 -0.011 0.000 1.045 381 V CA -0.567 61.725 62.300 -0.014 0.000 0.976 381 V CB 0.982 32.795 31.823 -0.016 0.000 0.993 381 V HN 0.873 nan 8.190 nan 0.000 0.475 382 G N 3.029 111.823 108.800 -0.010 0.000 2.437 382 G HA2 0.813 4.772 3.960 -0.001 0.000 0.319 382 G HA3 0.813 4.772 3.960 -0.001 0.000 0.319 382 G C -0.496 174.399 174.900 -0.008 0.000 1.158 382 G CA 0.088 45.182 45.100 -0.009 0.000 0.899 382 G HN 1.254 nan 8.290 nan 0.000 0.502 383 A N -0.655 122.161 122.820 -0.007 0.000 2.566 383 A HA 0.761 5.081 4.320 -0.001 0.000 0.290 383 A C 0.702 178.282 177.584 -0.006 0.000 1.071 383 A CA 0.381 52.414 52.037 -0.007 0.000 0.658 383 A CB 0.488 19.483 19.000 -0.007 0.000 1.285 383 A HN 1.805 nan 8.150 nan 0.000 0.427 384 A N -0.369 122.448 122.820 -0.005 0.000 1.930 384 A HA 0.433 4.752 4.320 -0.001 0.000 0.215 384 A C 1.295 178.876 177.584 -0.004 0.000 1.176 384 A CA 2.312 54.346 52.037 -0.005 0.000 0.632 384 A CB -0.510 18.487 19.000 -0.004 0.000 0.819 384 A HN 2.203 nan 8.150 nan 0.000 0.445 385 T N -4.410 110.142 114.554 -0.004 0.000 2.916 385 T HA 0.458 4.807 4.350 -0.001 0.000 0.292 385 T C 0.471 175.169 174.700 -0.004 0.000 1.055 385 T CA 0.079 62.177 62.100 -0.004 0.000 1.009 385 T CB 1.893 70.759 68.868 -0.003 0.000 1.118 385 T HN 0.248 nan 8.240 nan 0.000 0.497 386 E N 0.425 120.623 120.200 -0.004 0.000 2.110 386 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 386 E C 1.829 178.427 176.600 -0.003 0.000 0.988 386 E CA 1.442 57.840 56.400 -0.004 0.000 0.804 386 E CB -0.210 29.488 29.700 -0.003 0.000 0.745 386 E HN 0.571 nan 8.360 nan 0.000 0.458 387 V N 1.450 121.362 119.914 -0.003 0.000 2.255 387 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 387 V C 2.164 178.256 176.094 -0.004 0.000 1.051 387 V CA 2.344 64.643 62.300 -0.003 0.000 1.018 387 V CB -0.745 31.076 31.823 -0.003 0.000 0.641 387 V HN 0.294 nan 8.190 nan 0.000 0.445 388 E N -0.233 119.965 120.200 -0.004 0.000 2.085 388 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 388 E C 2.217 178.813 176.600 -0.006 0.000 0.994 388 E CA 1.559 57.956 56.400 -0.005 0.000 0.801 388 E CB -0.306 29.391 29.700 -0.005 0.000 0.743 388 E HN 0.449 nan 8.360 nan 0.000 0.453 389 M N 1.377 120.974 119.600 -0.006 0.000 2.065 389 M HA -0.199 4.280 4.480 -0.001 0.000 0.259 389 M C 1.821 178.117 176.300 -0.007 0.000 1.071 389 M CA 1.698 56.994 55.300 -0.007 0.000 1.109 389 M CB -0.288 32.308 32.600 -0.006 0.000 1.313 389 M HN -0.116 nan 8.290 nan 0.000 0.408 390 K N 0.234 120.631 120.400 -0.006 0.000 2.103 390 K HA -0.176 4.143 4.320 -0.001 0.000 0.207 390 K C 1.959 178.556 176.600 -0.005 0.000 1.048 390 K CA 1.200 57.484 56.287 -0.005 0.000 0.930 390 K CB -0.623 31.875 32.500 -0.003 0.000 0.716 390 K HN 0.476 nan 8.250 nan 0.000 0.444 391 E N 1.600 121.797 120.200 -0.005 0.000 2.028 391 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 391 E C 1.938 178.533 176.600 -0.008 0.000 0.988 391 E CA 1.333 57.730 56.400 -0.006 0.000 0.799 391 E CB 0.006 29.703 29.700 -0.005 0.000 0.755 391 E HN 0.176 nan 8.360 nan 0.000 0.447 392 K N 0.827 121.221 120.400 -0.010 0.000 2.147 392 K HA -0.174 4.146 4.320 -0.001 0.000 0.205 392 K C 2.336 178.926 176.600 -0.017 0.000 1.049 392 K CA 1.463 57.742 56.287 -0.013 0.000 0.936 392 K CB -0.094 32.398 32.500 -0.012 0.000 0.722 392 K HN -0.045 nan 8.250 nan 0.000 0.446 393 K N 0.168 120.559 120.400 -0.016 0.000 2.063 393 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 393 K C 1.931 178.517 176.600 -0.023 0.000 1.048 393 K CA 1.359 57.634 56.287 -0.020 0.000 0.928 393 K CB -0.177 32.314 32.500 -0.014 0.000 0.713 393 K HN 0.210 nan 8.250 nan 0.000 0.442 394 A N 1.406 124.217 122.820 -0.015 0.000 1.877 394 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 394 A C 2.098 179.670 177.584 -0.019 0.000 1.186 394 A CA 1.399 53.429 52.037 -0.012 0.000 0.620 394 A CB -0.465 18.533 19.000 -0.003 0.000 0.822 394 A HN 0.327 nan 8.150 nan 0.000 0.443 395 R N -0.722 119.767 120.500 -0.019 0.000 2.120 395 R HA -0.065 4.274 4.340 -0.001 0.000 0.234 395 R C 2.001 178.280 176.300 -0.035 0.000 1.123 395 R CA 1.322 57.410 56.100 -0.021 0.000 0.975 395 R CB -0.432 29.858 30.300 -0.016 0.000 0.866 395 R HN 0.416 nan 8.270 nan 0.000 0.446 396 V N 0.979 120.868 119.914 -0.042 0.000 2.307 396 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 396 V C 1.959 177.993 176.094 -0.100 0.000 1.045 396 V CA 1.734 64.000 62.300 -0.058 0.000 1.024 396 V CB -0.372 31.422 31.823 -0.049 0.000 0.651 396 V HN 0.325 nan 8.190 nan 0.000 0.449 397 E N -0.306 119.828 120.200 -0.110 0.000 2.085 397 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 397 E C 2.037 178.459 176.600 -0.296 0.000 0.994 397 E CA 1.529 57.807 56.400 -0.202 0.000 0.801 397 E CB -0.136 29.497 29.700 -0.113 0.000 0.743 397 E HN 0.578 nan 8.360 nan 0.000 0.453 398 D N -0.095 120.236 120.400 -0.116 0.000 2.077 398 D HA -0.097 4.542 4.640 -0.001 0.000 0.196 398 D C 1.972 178.244 176.300 -0.047 0.000 0.986 398 D CA 1.235 55.217 54.000 -0.031 0.000 0.829 398 D CB -0.104 40.705 40.800 0.014 0.000 0.983 398 D HN 0.119 nan 8.370 nan 0.000 0.453 399 A N 0.858 123.648 122.820 -0.050 0.000 2.032 399 A HA -0.191 4.128 4.320 -0.001 0.000 0.221 399 A C 2.143 179.695 177.584 -0.052 0.000 1.165 399 A CA 1.014 53.030 52.037 -0.035 0.000 0.645 399 A CB -0.591 18.389 19.000 -0.033 0.000 0.807 399 A HN 0.263 nan 8.150 nan 0.000 0.453 400 L N -0.769 120.380 121.223 -0.122 0.000 2.005 400 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 400 L C 2.417 179.241 176.870 -0.076 0.000 1.072 400 L CA 2.171 56.930 54.840 -0.135 0.000 0.744 400 L CB -0.815 41.108 42.059 -0.227 0.000 0.895 400 L HN 0.519 nan 8.230 nan 0.000 0.433 401 H N -0.311 118.758 119.070 -0.001 0.000 2.352 401 H HA -0.061 4.494 4.556 -0.001 0.000 0.299 401 H C 2.148 177.477 175.328 0.002 0.000 1.097 401 H CA 1.367 57.416 56.048 0.000 0.000 1.311 401 H CB -0.783 28.978 29.762 -0.001 0.000 1.377 401 H HN 0.482 nan 8.280 nan 0.000 0.504 402 A N 0.658 123.550 122.820 0.120 0.000 1.865 402 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 402 A C 2.673 180.284 177.584 0.045 0.000 1.191 402 A CA 2.545 54.623 52.037 0.067 0.000 0.623 402 A CB -1.088 17.937 19.000 0.041 0.000 0.826 402 A HN 0.452 nan 8.150 nan 0.000 0.444 403 T N -0.597 113.974 114.554 0.029 0.000 2.746 403 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 403 T C 2.142 176.858 174.700 0.026 0.000 1.039 403 T CA 1.286 63.398 62.100 0.018 0.000 1.142 403 T CB -0.261 68.609 68.868 0.004 0.000 0.866 403 T HN 0.284 nan 8.240 nan 0.000 0.444 404 R N 1.274 121.797 120.500 0.039 0.000 2.083 404 R HA 0.015 4.355 4.340 -0.001 0.000 0.237 404 R C 2.628 178.953 176.300 0.042 0.000 1.137 404 R CA 1.828 57.955 56.100 0.045 0.000 0.951 404 R CB -1.090 29.256 30.300 0.076 0.000 0.851 404 R HN 0.455 nan 8.270 nan 0.000 0.434 405 A N 0.183 123.031 122.820 0.048 0.000 1.930 405 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 405 A C 2.325 179.926 177.584 0.029 0.000 1.175 405 A CA 1.655 53.715 52.037 0.038 0.000 0.627 405 A CB -0.518 18.507 19.000 0.041 0.000 0.815 405 A HN 0.395 nan 8.150 nan 0.000 0.443 406 A N -0.542 122.294 122.820 0.027 0.000 1.902 406 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 406 A C 2.185 179.780 177.584 0.018 0.000 1.181 406 A CA 1.707 53.756 52.037 0.021 0.000 0.623 406 A CB -0.886 18.125 19.000 0.018 0.000 0.818 406 A HN 0.367 nan 8.150 nan 0.000 0.443 407 V N 0.058 119.983 119.914 0.019 0.000 2.490 407 V HA -0.254 3.865 4.120 -0.001 0.000 0.250 407 V C 2.403 178.506 176.094 0.017 0.000 1.061 407 V CA 2.282 64.592 62.300 0.016 0.000 1.064 407 V CB -0.691 31.142 31.823 0.016 0.000 0.670 407 V HN 0.637 nan 8.190 nan 0.000 0.461 408 E N -0.350 119.861 120.200 0.019 0.000 2.072 408 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 408 E C 1.523 178.133 176.600 0.016 0.000 0.982 408 E CA 1.246 57.657 56.400 0.018 0.000 0.803 408 E CB 0.077 29.790 29.700 0.021 0.000 0.755 408 E HN 0.656 nan 8.360 nan 0.000 0.453 409 E N -0.926 119.284 120.200 0.017 0.000 2.789 409 E HA 0.225 4.575 4.350 -0.001 0.000 0.217 409 E C 0.124 176.732 176.600 0.014 0.000 0.970 409 E CA 0.090 56.499 56.400 0.014 0.000 1.201 409 E CB 1.688 31.396 29.700 0.014 0.000 1.069 409 E HN 0.239 nan 8.360 nan 0.000 0.499 410 G N 1.191 110.000 108.800 0.015 0.000 2.681 410 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.220 410 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.220 410 G C -0.261 174.648 174.900 0.015 0.000 1.353 410 G CA -0.421 44.687 45.100 0.014 0.000 0.872 410 G HN 0.555 nan 8.290 nan 0.000 0.557 411 V N -2.716 117.207 119.914 0.014 0.000 3.040 411 V HA 0.987 5.106 4.120 -0.001 0.000 0.312 411 V C 0.536 176.639 176.094 0.015 0.000 1.115 411 V CA 0.136 62.445 62.300 0.014 0.000 0.998 411 V CB 1.332 33.162 31.823 0.012 0.000 1.042 411 V HN 2.464 nan 8.190 nan 0.000 0.433 412 V N -0.886 119.036 119.914 0.014 0.000 3.160 412 V HA 1.013 5.133 4.120 -0.001 0.000 0.310 412 V C 0.460 176.562 176.094 0.013 0.000 1.181 412 V CA -0.743 61.567 62.300 0.016 0.000 1.047 412 V CB 1.201 33.034 31.823 0.017 0.000 1.068 412 V HN 2.104 nan 8.190 nan 0.000 0.441 413 A N 0.637 123.466 122.820 0.015 0.000 2.546 413 A HA 0.633 4.953 4.320 -0.001 0.000 0.243 413 A C 0.853 178.438 177.584 0.001 0.000 1.063 413 A CA 0.725 52.766 52.037 0.006 0.000 0.757 413 A CB -0.505 18.501 19.000 0.009 0.000 0.991 413 A HN 1.963 nan 8.150 nan 0.000 0.503 414 G N 0.500 109.295 108.800 -0.008 0.000 2.574 414 G HA2 0.522 4.481 3.960 -0.001 0.000 0.248 414 G HA3 0.522 4.481 3.960 -0.001 0.000 0.248 414 G C 1.147 176.038 174.900 -0.015 0.000 1.422 414 G CA -0.084 45.010 45.100 -0.009 0.000 1.051 414 G HN 2.227 nan 8.290 nan 0.000 0.560 415 G N -1.959 106.831 108.800 -0.016 0.000 2.187 415 G HA2 0.194 4.154 3.960 -0.001 0.000 0.261 415 G HA3 0.194 4.154 3.960 -0.001 0.000 0.261 415 G C 1.534 176.436 174.900 0.003 0.000 1.000 415 G CA 1.305 46.397 45.100 -0.014 0.000 0.718 415 G HN 2.474 nan 8.290 nan 0.000 0.519 416 G N -2.359 106.444 108.800 0.005 0.000 2.162 416 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.260 416 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.260 416 G C 1.790 176.698 174.900 0.013 0.000 0.976 416 G CA 1.862 46.968 45.100 0.011 0.000 0.655 416 G HN 2.222 nan 8.290 nan 0.000 0.533 417 V N -1.525 118.395 119.914 0.010 0.000 2.951 417 V HA 0.469 4.588 4.120 -0.001 0.000 0.255 417 V C 2.673 178.780 176.094 0.022 0.000 1.088 417 V CA 1.864 64.172 62.300 0.014 0.000 1.109 417 V CB -0.307 31.516 31.823 -0.001 0.000 0.724 417 V HN 1.340 nan 8.190 nan 0.000 0.471 418 A N 0.811 123.642 122.820 0.018 0.000 1.877 418 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 418 A C 2.216 179.814 177.584 0.023 0.000 1.186 418 A CA 2.238 54.289 52.037 0.022 0.000 0.620 418 A CB -0.737 18.274 19.000 0.018 0.000 0.822 418 A HN 0.586 nan 8.150 nan 0.000 0.443 419 L N -0.963 120.271 121.223 0.020 0.000 2.046 419 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 419 L C 2.531 179.413 176.870 0.021 0.000 1.077 419 L CA 1.409 56.261 54.840 0.019 0.000 0.747 419 L CB -0.340 41.730 42.059 0.017 0.000 0.896 419 L HN 0.476 nan 8.230 nan 0.000 0.432 420 I N -0.479 120.105 120.570 0.024 0.000 2.394 420 I HA -0.291 3.879 4.170 -0.001 0.000 0.251 420 I C 2.774 178.912 176.117 0.035 0.000 1.136 420 I CA 0.818 62.135 61.300 0.027 0.000 1.425 420 I CB 0.028 38.045 38.000 0.029 0.000 1.079 420 I HN 0.200 nan 8.210 nan 0.000 0.425 421 R N 0.453 120.977 120.500 0.040 0.000 2.070 421 R HA -0.131 4.208 4.340 -0.001 0.000 0.233 421 R C 2.046 178.369 176.300 0.037 0.000 1.137 421 R CA 2.106 58.235 56.100 0.048 0.000 0.945 421 R CB -1.112 29.220 30.300 0.054 0.000 0.845 421 R HN 0.214 nan 8.270 nan 0.000 0.430 422 V N 0.951 120.883 119.914 0.030 0.000 2.392 422 V HA -0.242 3.878 4.120 -0.001 0.000 0.249 422 V C 2.304 178.410 176.094 0.020 0.000 1.059 422 V CA 2.042 64.356 62.300 0.023 0.000 1.051 422 V CB -0.831 31.003 31.823 0.018 0.000 0.658 422 V HN 0.588 nan 8.190 nan 0.000 0.455 423 A N 0.258 123.090 122.820 0.020 0.000 1.898 423 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 423 A C 2.536 180.131 177.584 0.019 0.000 1.181 423 A CA 2.055 54.103 52.037 0.017 0.000 0.620 423 A CB -0.799 18.211 19.000 0.017 0.000 0.819 423 A HN 0.702 nan 8.150 nan 0.000 0.442 424 S N 0.012 115.727 115.700 0.025 0.000 2.419 424 S HA -0.164 4.305 4.470 -0.001 0.000 0.235 424 S C 1.651 176.264 174.600 0.022 0.000 1.019 424 S CA 1.551 59.766 58.200 0.025 0.000 0.982 424 S CB -0.375 62.846 63.200 0.035 0.000 0.789 424 S HN 0.609 nan 8.310 nan 0.000 0.490 425 K N 0.527 120.940 120.400 0.021 0.000 2.365 425 K HA 0.257 4.576 4.320 -0.001 0.000 0.197 425 K C 0.962 177.569 176.600 0.013 0.000 1.042 425 K CA 0.454 56.752 56.287 0.018 0.000 0.987 425 K CB -0.150 32.361 32.500 0.019 0.000 0.779 425 K HN 0.431 nan 8.250 nan 0.000 0.484 426 L N 0.422 121.653 121.223 0.012 0.000 2.791 426 L HA 0.203 4.543 4.340 -0.001 0.000 0.239 426 L C 1.805 178.680 176.870 0.008 0.000 1.203 426 L CA -0.320 54.525 54.840 0.009 0.000 1.002 426 L CB 0.034 42.098 42.059 0.008 0.000 1.295 426 L HN 0.048 nan 8.230 nan 0.000 0.504 427 A N 0.163 122.988 122.820 0.009 0.000 1.948 427 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 427 A C 1.629 179.217 177.584 0.006 0.000 1.177 427 A CA 1.817 53.859 52.037 0.008 0.000 0.636 427 A CB -0.199 18.806 19.000 0.008 0.000 0.815 427 A HN 0.382 nan 8.150 nan 0.000 0.449 428 D N -1.001 119.402 120.400 0.005 0.000 2.328 428 D HA 0.157 4.797 4.640 -0.001 0.000 0.221 428 D C 0.126 176.428 176.300 0.004 0.000 1.072 428 D CA -0.212 53.790 54.000 0.004 0.000 0.850 428 D CB -0.085 40.717 40.800 0.004 0.000 0.922 428 D HN 0.329 nan 8.370 nan 0.000 0.516 429 L N 1.964 123.189 121.223 0.004 0.000 2.455 429 L HA 0.107 4.446 4.340 -0.001 0.000 0.272 429 L C 0.142 177.013 176.870 0.003 0.000 1.174 429 L CA 0.483 55.325 54.840 0.003 0.000 0.869 429 L CB 0.124 42.185 42.059 0.003 0.000 1.130 429 L HN -0.209 nan 8.230 nan 0.000 0.474 430 R N 3.283 123.785 120.500 0.002 0.000 2.867 430 R HA 0.725 5.065 4.340 -0.001 0.000 0.268 430 R C -0.224 176.077 176.300 0.001 0.000 1.014 430 R CA -0.402 55.699 56.100 0.002 0.000 0.946 430 R CB 1.520 31.821 30.300 0.001 0.000 1.208 430 R HN 0.804 nan 8.270 nan 0.000 0.477 431 G N -0.359 108.442 108.800 0.001 0.000 2.971 431 G HA2 0.214 4.174 3.960 -0.001 0.000 0.235 431 G HA3 0.214 4.174 3.960 -0.001 0.000 0.235 431 G C 0.101 175.001 174.900 0.001 0.000 1.351 431 G CA -0.280 44.820 45.100 0.001 0.000 1.039 431 G HN 0.424 nan 8.290 nan 0.000 0.563 432 Q N -0.686 119.114 119.800 0.000 0.000 2.245 432 Q HA 0.074 4.413 4.340 -0.001 0.000 0.201 432 Q C 0.291 176.292 176.000 0.001 0.000 0.955 432 Q CA 1.143 56.946 55.803 0.000 0.000 0.870 432 Q CB 0.037 28.775 28.738 0.000 0.000 0.945 432 Q HN 0.630 nan 8.270 nan 0.000 0.461 433 N N -2.183 116.517 118.700 0.001 0.000 2.972 433 N HA 0.058 4.797 4.740 -0.001 0.000 0.262 433 N C -0.082 175.428 175.510 0.001 0.000 1.478 433 N CA -0.540 52.510 53.050 0.001 0.000 0.841 433 N CB 0.531 39.018 38.487 0.001 0.000 1.512 433 N HN -0.311 nan 8.380 nan 0.000 0.548 434 E N -0.252 119.949 120.200 0.001 0.000 2.077 434 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 434 E C 0.513 177.114 176.600 0.002 0.000 0.989 434 E CA 1.645 58.046 56.400 0.001 0.000 0.800 434 E CB -0.394 29.307 29.700 0.001 0.000 0.746 434 E HN 0.601 nan 8.360 nan 0.000 0.452 435 D N 0.184 120.585 120.400 0.002 0.000 2.104 435 D HA -0.179 4.461 4.640 -0.001 0.000 0.194 435 D C 1.942 178.244 176.300 0.002 0.000 0.994 435 D CA 1.139 55.141 54.000 0.002 0.000 0.830 435 D CB -0.219 40.583 40.800 0.003 0.000 0.959 435 D HN 0.410 nan 8.370 nan 0.000 0.452 436 Q N 0.228 120.029 119.800 0.002 0.000 2.124 436 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 436 Q C 1.874 177.875 176.000 0.002 0.000 0.977 436 Q CA 0.663 56.467 55.803 0.002 0.000 0.850 436 Q CB -0.073 28.666 28.738 0.001 0.000 0.901 436 Q HN 0.268 nan 8.270 nan 0.000 0.429 437 N N 0.278 118.979 118.700 0.002 0.000 2.120 437 N HA -0.121 4.618 4.740 -0.001 0.000 0.188 437 N C 1.900 177.411 175.510 0.003 0.000 1.024 437 N CA 1.021 54.072 53.050 0.002 0.000 0.852 437 N CB -0.269 38.220 38.487 0.002 0.000 1.003 437 N HN 0.057 nan 8.380 nan 0.000 0.424 438 V N 0.920 120.835 119.914 0.003 0.000 2.343 438 V HA -0.146 3.973 4.120 -0.001 0.000 0.247 438 V C 2.459 178.555 176.094 0.003 0.000 1.051 438 V CA 1.990 64.291 62.300 0.003 0.000 1.036 438 V CB -1.222 30.602 31.823 0.003 0.000 0.654 438 V HN 0.335 nan 8.190 nan 0.000 0.451 439 G N -0.027 108.775 108.800 0.003 0.000 2.440 439 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 439 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 439 G C 1.566 176.468 174.900 0.004 0.000 1.154 439 G CA 1.106 46.208 45.100 0.004 0.000 0.767 439 G HN 0.491 nan 8.290 nan 0.000 0.552 440 I N 0.257 120.829 120.570 0.003 0.000 2.226 440 I HA -0.140 4.029 4.170 -0.001 0.000 0.245 440 I C 2.695 178.815 176.117 0.004 0.000 1.100 440 I CA 0.998 62.300 61.300 0.003 0.000 1.374 440 I CB -0.136 37.866 38.000 0.003 0.000 1.057 440 I HN 0.026 nan 8.210 nan 0.000 0.413 441 K N 0.588 120.991 120.400 0.004 0.000 2.097 441 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 441 K C 2.151 178.754 176.600 0.005 0.000 1.050 441 K CA 0.947 57.237 56.287 0.005 0.000 0.938 441 K CB -0.630 31.873 32.500 0.004 0.000 0.718 441 K HN 0.207 nan 8.250 nan 0.000 0.442 442 V N 1.708 121.625 119.914 0.005 0.000 2.287 442 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 442 V C 2.487 178.585 176.094 0.007 0.000 1.053 442 V CA 2.083 64.387 62.300 0.006 0.000 1.027 442 V CB -0.791 31.035 31.823 0.006 0.000 0.646 442 V HN 0.296 nan 8.190 nan 0.000 0.447 443 A N -0.280 122.544 122.820 0.006 0.000 1.873 443 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 443 A C 2.194 179.783 177.584 0.007 0.000 1.186 443 A CA 1.740 53.781 52.037 0.007 0.000 0.616 443 A CB -0.571 18.432 19.000 0.005 0.000 0.823 443 A HN 0.492 nan 8.150 nan 0.000 0.442 444 L N -1.287 119.940 121.223 0.007 0.000 2.079 444 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 444 L C 2.845 179.720 176.870 0.009 0.000 1.081 444 L CA 1.631 56.476 54.840 0.008 0.000 0.752 444 L CB -0.519 41.545 42.059 0.008 0.000 0.896 444 L HN 0.408 nan 8.230 nan 0.000 0.433 445 R N -0.005 120.500 120.500 0.008 0.000 2.075 445 R HA -0.124 4.216 4.340 -0.001 0.000 0.232 445 R C 2.422 178.727 176.300 0.008 0.000 1.126 445 R CA 1.317 57.422 56.100 0.008 0.000 0.963 445 R CB -0.243 30.061 30.300 0.006 0.000 0.858 445 R HN 0.347 nan 8.270 nan 0.000 0.435 446 A N 0.637 123.462 122.820 0.009 0.000 1.972 446 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 446 A C 2.042 179.633 177.584 0.011 0.000 1.169 446 A CA 1.344 53.387 52.037 0.010 0.000 0.635 446 A CB -0.410 18.596 19.000 0.011 0.000 0.810 446 A HN 0.294 nan 8.150 nan 0.000 0.446 447 M N -0.604 119.002 119.600 0.011 0.000 2.629 447 M HA -0.136 4.343 4.480 -0.001 0.000 0.257 447 M C 1.378 177.686 176.300 0.013 0.000 1.071 447 M CA 1.084 56.391 55.300 0.013 0.000 1.077 447 M CB -0.256 32.352 32.600 0.013 0.000 1.423 447 M HN 0.473 nan 8.290 nan 0.000 0.508 448 E N -0.090 120.117 120.200 0.011 0.000 2.447 448 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 448 E C 2.056 178.661 176.600 0.008 0.000 1.028 448 E CA 0.330 56.736 56.400 0.010 0.000 0.876 448 E CB 0.141 29.846 29.700 0.009 0.000 0.885 448 E HN 0.484 nan 8.360 nan 0.000 0.500 449 A N 2.428 125.253 122.820 0.008 0.000 1.873 449 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 449 A C -0.358 177.231 177.584 0.008 0.000 1.193 449 A CA 1.453 53.495 52.037 0.008 0.000 0.629 449 A CB -1.523 17.483 19.000 0.009 0.000 0.826 449 A HN 0.122 nan 8.150 nan 0.000 0.447 450 P HA -0.195 nan 4.420 nan 0.000 0.212 450 P C 1.879 179.185 177.300 0.011 0.000 1.178 450 P CA 1.150 64.257 63.100 0.011 0.000 0.915 450 P CB -0.171 31.537 31.700 0.013 0.000 0.788 451 L N -0.890 120.340 121.223 0.012 0.000 1.990 451 L HA -0.257 4.082 4.340 -0.001 0.000 0.213 451 L C 2.523 179.397 176.870 0.006 0.000 1.072 451 L CA 1.874 56.722 54.840 0.014 0.000 0.755 451 L CB -0.355 41.712 42.059 0.012 0.000 0.889 451 L HN -0.151 nan 8.230 nan 0.000 0.432 452 R N -0.728 119.770 120.500 -0.002 0.000 2.096 452 R HA -0.273 4.067 4.340 -0.001 0.000 0.240 452 R C 2.300 178.598 176.300 -0.004 0.000 1.139 452 R CA 2.017 58.111 56.100 -0.010 0.000 0.952 452 R CB -0.382 29.913 30.300 -0.007 0.000 0.854 452 R HN 0.397 nan 8.270 nan 0.000 0.436 453 Q N 0.932 120.734 119.800 0.003 0.000 2.050 453 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 453 Q C 1.844 177.850 176.000 0.010 0.000 0.980 453 Q CA 1.657 57.463 55.803 0.005 0.000 0.840 453 Q CB -0.197 28.544 28.738 0.006 0.000 0.898 453 Q HN 0.363 nan 8.270 nan 0.000 0.424 454 I N -0.615 119.964 120.570 0.015 0.000 2.118 454 I HA -0.310 3.859 4.170 -0.001 0.000 0.241 454 I C 2.083 178.223 176.117 0.038 0.000 1.070 454 I CA 1.254 62.569 61.300 0.025 0.000 1.327 454 I CB -0.439 37.580 38.000 0.032 0.000 1.034 454 I HN 0.090 nan 8.210 nan 0.000 0.405 455 V N 0.602 120.537 119.914 0.035 0.000 2.407 455 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 455 V C 2.362 178.465 176.094 0.014 0.000 1.055 455 V CA 1.596 63.913 62.300 0.028 0.000 1.049 455 V CB -0.523 31.266 31.823 -0.057 0.000 0.662 455 V HN 0.358 nan 8.190 nan 0.000 0.455 456 L N 0.789 122.014 121.223 0.004 0.000 2.046 456 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 456 L C 2.179 179.055 176.870 0.010 0.000 1.077 456 L CA 1.923 56.764 54.840 0.003 0.000 0.747 456 L CB -0.838 41.222 42.059 0.001 0.000 0.896 456 L HN 0.307 nan 8.230 nan 0.000 0.432 457 N N -1.091 117.617 118.700 0.013 0.000 2.289 457 N HA -0.159 4.580 4.740 -0.001 0.000 0.184 457 N C 1.693 177.213 175.510 0.017 0.000 1.016 457 N CA 1.578 54.636 53.050 0.012 0.000 0.872 457 N CB -0.751 37.743 38.487 0.011 0.000 0.973 457 N HN 0.417 nan 8.380 nan 0.000 0.433 458 C N -0.376 118.940 119.300 0.028 0.000 2.562 458 C HA 0.268 4.727 4.460 -0.001 0.000 0.266 458 C C 1.560 176.570 174.990 0.034 0.000 1.382 458 C CA 0.210 59.250 59.018 0.037 0.000 1.742 458 C CB -1.267 26.517 27.740 0.073 0.000 1.812 458 C HN 0.614 nan 8.230 nan 0.000 0.559 459 G N 1.325 110.139 108.800 0.023 0.000 2.198 459 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.257 459 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.257 459 G C -0.295 174.616 174.900 0.019 0.000 1.042 459 G CA 0.187 45.297 45.100 0.018 0.000 0.791 459 G HN 0.522 nan 8.290 nan 0.000 0.502 460 E N -0.267 119.942 120.200 0.015 0.000 2.316 460 E HA 0.438 4.788 4.350 -0.001 0.000 0.258 460 E C 0.004 176.591 176.600 -0.022 0.000 0.952 460 E CA -0.876 55.524 56.400 0.001 0.000 0.818 460 E CB 0.841 30.539 29.700 -0.003 0.000 1.260 460 E HN 0.441 nan 8.360 nan 0.000 0.416 461 E N 1.745 121.924 120.200 -0.035 0.000 2.052 461 E HA 0.118 4.467 4.350 -0.001 0.000 0.283 461 E C -1.715 174.850 176.600 -0.060 0.000 1.071 461 E CA -1.570 54.809 56.400 -0.035 0.000 0.851 461 E CB 0.859 30.545 29.700 -0.023 0.000 1.066 461 E HN 0.107 nan 8.360 nan 0.000 0.396 462 P HA -0.225 nan 4.420 nan 0.000 0.215 462 P C 1.018 178.289 177.300 -0.049 0.000 1.157 462 P CA 1.247 64.314 63.100 -0.055 0.000 0.874 462 P CB 0.310 31.992 31.700 -0.030 0.000 0.790 463 S N -0.618 115.063 115.700 -0.031 0.000 2.359 463 S HA -0.138 4.332 4.470 -0.001 0.000 0.224 463 S C 2.036 176.623 174.600 -0.022 0.000 1.035 463 S CA 1.564 59.752 58.200 -0.021 0.000 1.018 463 S CB -1.457 61.735 63.200 -0.013 0.000 0.876 463 S HN -0.039 nan 8.310 nan 0.000 0.448 464 V N 1.654 121.551 119.914 -0.029 0.000 2.261 464 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 464 V C 2.389 178.470 176.094 -0.021 0.000 1.047 464 V CA 1.583 63.870 62.300 -0.022 0.000 1.015 464 V CB -0.905 30.906 31.823 -0.020 0.000 0.642 464 V HN 0.353 nan 8.190 nan 0.000 0.446 465 V N 0.376 120.243 119.914 -0.078 0.000 2.343 465 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 465 V C 2.743 178.819 176.094 -0.030 0.000 1.051 465 V CA 1.992 64.219 62.300 -0.122 0.000 1.036 465 V CB -1.256 30.280 31.823 -0.479 0.000 0.654 465 V HN 0.554 nan 8.190 nan 0.000 0.451 466 A N 0.357 123.153 122.820 -0.041 0.000 1.908 466 A HA -0.314 4.005 4.320 -0.001 0.000 0.218 466 A C 2.079 179.679 177.584 0.028 0.000 1.181 466 A CA 2.502 54.537 52.037 -0.003 0.000 0.627 466 A CB -0.877 18.118 19.000 -0.009 0.000 0.818 466 A HN 0.600 nan 8.150 nan 0.000 0.445 467 N N -0.672 118.040 118.700 0.019 0.000 2.058 467 N HA -0.122 4.618 4.740 -0.001 0.000 0.191 467 N C 1.761 177.299 175.510 0.046 0.000 1.037 467 N CA 2.327 55.392 53.050 0.024 0.000 0.848 467 N CB -0.482 38.010 38.487 0.008 0.000 1.021 467 N HN 0.414 nan 8.380 nan 0.000 0.422 468 T N -0.283 114.302 114.554 0.052 0.000 2.684 468 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 468 T C 1.969 176.783 174.700 0.190 0.000 1.036 468 T CA 1.338 63.471 62.100 0.056 0.000 1.148 468 T CB -0.484 68.340 68.868 -0.074 0.000 0.863 468 T HN 0.014 nan 8.240 nan 0.000 0.436 469 V N 1.425 121.472 119.914 0.221 0.000 2.343 469 V HA -0.176 3.943 4.120 -0.001 0.000 0.247 469 V C 2.467 178.678 176.094 0.196 0.000 1.051 469 V CA 1.558 63.986 62.300 0.212 0.000 1.036 469 V CB -0.485 31.406 31.823 0.113 0.000 0.654 469 V HN 0.469 nan 8.190 nan 0.000 0.451 470 K N 0.127 120.602 120.400 0.125 0.000 2.147 470 K HA -0.118 4.202 4.320 -0.001 0.000 0.205 470 K C 2.199 178.858 176.600 0.098 0.000 1.049 470 K CA 1.317 57.661 56.287 0.095 0.000 0.936 470 K CB -0.543 31.991 32.500 0.058 0.000 0.722 470 K HN 0.582 nan 8.250 nan 0.000 0.446 471 G N 1.125 109.988 108.800 0.104 0.000 2.422 471 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.218 471 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.218 471 G C 0.849 175.786 174.900 0.061 0.000 1.140 471 G CA 0.735 45.874 45.100 0.065 0.000 0.775 471 G HN 0.384 nan 8.290 nan 0.000 0.545 472 G N -0.784 108.118 108.800 0.170 0.000 2.525 472 G HA2 0.455 4.414 3.960 -0.001 0.000 0.276 472 G HA3 0.455 4.414 3.960 -0.001 0.000 0.276 472 G C -0.722 174.248 174.900 0.116 0.000 1.388 472 G CA -0.296 44.856 45.100 0.086 0.000 1.050 472 G HN 0.200 nan 8.290 nan 0.000 0.520 473 D N -2.063 118.397 120.400 0.100 0.000 2.592 473 D HA 0.502 5.141 4.640 -0.001 0.000 0.263 473 D C 0.892 177.268 176.300 0.127 0.000 1.132 473 D CA 0.566 54.620 54.000 0.089 0.000 0.996 473 D CB 1.629 42.445 40.800 0.026 0.000 1.442 473 D HN 0.828 nan 8.370 nan 0.000 0.486 474 G N 1.063 109.915 108.800 0.088 0.000 2.627 474 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.312 474 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.312 474 G C 0.323 175.286 174.900 0.106 0.000 1.299 474 G CA 0.569 45.718 45.100 0.083 0.000 0.989 474 G HN 0.586 nan 8.290 nan 0.000 0.547 475 N N 0.094 118.856 118.700 0.102 0.000 2.375 475 N HA 0.307 5.046 4.740 -0.001 0.000 0.220 475 N C 0.011 175.596 175.510 0.126 0.000 1.170 475 N CA 0.091 53.196 53.050 0.091 0.000 0.833 475 N CB 0.096 38.618 38.487 0.059 0.000 1.069 475 N HN 0.536 nan 8.380 nan 0.000 0.479 476 Y N 0.652 120.984 120.300 0.053 0.000 2.402 476 Y HA 0.507 5.057 4.550 -0.001 0.000 0.333 476 Y C 0.707 176.671 175.900 0.105 0.000 1.076 476 Y CA -0.235 57.911 58.100 0.077 0.000 1.299 476 Y CB 0.095 38.602 38.460 0.077 0.000 1.197 476 Y HN 0.047 nan 8.280 nan 0.000 0.517 477 G N 4.160 112.673 108.800 -0.479 0.000 2.846 477 G HA2 0.244 4.204 3.960 -0.001 0.000 0.299 477 G HA3 0.244 4.204 3.960 -0.001 0.000 0.299 477 G C -2.368 172.319 174.900 -0.355 0.000 1.242 477 G CA -0.884 43.997 45.100 -0.365 0.000 0.800 477 G HN 0.557 nan 8.290 nan 0.000 0.538 478 Y N 1.497 121.560 120.300 -0.395 0.000 2.328 478 Y HA 0.563 5.113 4.550 -0.001 0.000 0.336 478 Y C -0.188 175.499 175.900 -0.354 0.000 0.960 478 Y CA -1.383 56.368 58.100 -0.581 0.000 1.134 478 Y CB 1.556 39.625 38.460 -0.653 0.000 1.166 478 Y HN 0.397 nan 8.280 nan 0.000 0.464 479 N N 5.112 123.354 118.700 -0.763 0.000 2.448 479 N HA 0.128 4.868 4.740 -0.001 0.000 0.250 479 N C 0.694 175.668 175.510 -0.892 0.000 1.136 479 N CA 0.687 53.386 53.050 -0.585 0.000 0.953 479 N CB 1.098 39.353 38.487 -0.387 0.000 1.251 479 N HN 0.942 nan 8.380 nan 0.000 0.502 480 A N 3.851 126.281 122.820 -0.650 0.000 1.986 480 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 480 A C 2.095 179.504 177.584 -0.291 0.000 1.171 480 A CA 1.905 53.682 52.037 -0.433 0.000 0.640 480 A CB -0.589 18.373 19.000 -0.063 0.000 0.811 480 A HN 0.699 nan 8.150 nan 0.000 0.451 481 A N -0.841 121.834 122.820 -0.241 0.000 1.969 481 A HA -0.022 4.298 4.320 -0.001 0.000 0.218 481 A C 2.219 179.710 177.584 -0.155 0.000 1.169 481 A CA 2.306 54.251 52.037 -0.153 0.000 0.635 481 A CB -0.737 18.192 19.000 -0.119 0.000 0.810 481 A HN 0.898 nan 8.150 nan 0.000 0.445 482 T N -4.341 110.079 114.554 -0.223 0.000 3.040 482 T HA 0.278 4.627 4.350 -0.001 0.000 0.266 482 T C 0.198 174.784 174.700 -0.189 0.000 1.005 482 T CA 0.667 62.666 62.100 -0.167 0.000 0.906 482 T CB -0.231 68.555 68.868 -0.136 0.000 1.082 482 T HN 0.552 nan 8.240 nan 0.000 0.531 483 E N 0.916 120.905 120.200 -0.352 0.000 2.791 483 E HA -0.139 4.210 4.350 -0.001 0.000 0.271 483 E C -0.869 175.619 176.600 -0.185 0.000 1.044 483 E CA 0.603 56.833 56.400 -0.284 0.000 0.814 483 E CB -1.140 28.573 29.700 0.021 0.000 1.400 483 E HN 0.615 nan 8.360 nan 0.000 0.423 484 E N 0.082 120.091 120.200 -0.318 0.000 2.183 484 E HA 0.365 4.715 4.350 -0.001 0.000 0.271 484 E C -0.486 176.019 176.600 -0.159 0.000 0.919 484 E CA -0.571 55.770 56.400 -0.099 0.000 0.781 484 E CB 0.836 30.502 29.700 -0.057 0.000 1.140 484 E HN 0.059 nan 8.360 nan 0.000 0.402 485 Y N 0.318 120.637 120.300 0.032 0.000 2.335 485 Y HA 0.617 5.167 4.550 -0.001 0.000 0.323 485 Y C 1.171 177.098 175.900 0.044 0.000 1.224 485 Y CA 0.264 58.359 58.100 -0.008 0.000 1.241 485 Y CB 1.898 40.416 38.460 0.096 0.000 1.235 485 Y HN 0.669 nan 8.280 nan 0.000 0.492 486 G N 1.041 109.908 108.800 0.112 0.000 2.336 486 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.286 486 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.286 486 G C -1.774 173.222 174.900 0.159 0.000 1.269 486 G CA -1.200 44.038 45.100 0.230 0.000 0.873 486 G HN 0.515 nan 8.290 nan 0.000 0.494 487 N N 1.169 119.959 118.700 0.151 0.000 2.405 487 N HA 0.102 4.841 4.740 -0.001 0.000 0.260 487 N C 1.753 177.284 175.510 0.034 0.000 1.152 487 N CA -0.473 52.643 53.050 0.109 0.000 0.948 487 N CB 0.776 39.321 38.487 0.097 0.000 1.111 487 N HN 0.372 nan 8.380 nan 0.000 0.485 488 M N 3.570 123.174 119.600 0.006 0.000 2.082 488 M HA -0.200 4.279 4.480 -0.001 0.000 0.258 488 M C 1.695 177.989 176.300 -0.011 0.000 1.069 488 M CA 1.260 56.546 55.300 -0.025 0.000 1.102 488 M CB -0.673 31.909 32.600 -0.029 0.000 1.336 488 M HN 0.559 nan 8.290 nan 0.000 0.404 489 I N 0.413 120.988 120.570 0.008 0.000 2.226 489 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 489 I C 1.913 178.034 176.117 0.006 0.000 1.100 489 I CA 1.473 62.777 61.300 0.008 0.000 1.374 489 I CB -1.666 36.343 38.000 0.016 0.000 1.057 489 I HN 0.245 nan 8.210 nan 0.000 0.413 490 D N 0.739 121.147 120.400 0.013 0.000 2.144 490 D HA -0.147 4.493 4.640 -0.001 0.000 0.199 490 D C 2.152 178.453 176.300 0.001 0.000 0.984 490 D CA 1.143 55.150 54.000 0.012 0.000 0.834 490 D CB -0.190 40.624 40.800 0.023 0.000 0.955 490 D HN 0.343 nan 8.370 nan 0.000 0.465 491 M N -0.444 119.151 119.600 -0.008 0.000 2.682 491 M HA 0.129 4.608 4.480 -0.001 0.000 0.235 491 M C 0.982 177.264 176.300 -0.030 0.000 1.114 491 M CA 0.441 55.726 55.300 -0.025 0.000 1.053 491 M CB 0.276 32.848 32.600 -0.046 0.000 1.599 491 M HN 0.049 nan 8.290 nan 0.000 0.520 492 G N 2.068 110.856 108.800 -0.020 0.000 2.198 492 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 492 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 492 G C -0.017 174.868 174.900 -0.025 0.000 1.025 492 G CA -0.083 45.005 45.100 -0.019 0.000 0.769 492 G HN 0.554 nan 8.290 nan 0.000 0.507 493 I N 0.810 121.361 120.570 -0.032 0.000 2.412 493 I HA 0.511 4.680 4.170 -0.001 0.000 0.279 493 I C 0.254 176.356 176.117 -0.024 0.000 1.063 493 I CA -0.899 60.379 61.300 -0.037 0.000 1.193 493 I CB 0.461 38.424 38.000 -0.062 0.000 1.370 493 I HN 0.220 nan 8.210 nan 0.000 0.479 494 L N 2.883 124.097 121.223 -0.014 0.000 2.322 494 L HA 0.823 5.162 4.340 -0.001 0.000 0.252 494 L C -1.141 175.728 176.870 -0.000 0.000 1.055 494 L CA -0.685 54.152 54.840 -0.005 0.000 0.849 494 L CB 1.449 43.508 42.059 -0.000 0.000 1.446 494 L HN 0.030 nan 8.230 nan 0.000 0.416 495 D N -0.734 119.669 120.400 0.005 0.000 2.819 495 D HA 0.433 5.072 4.640 -0.001 0.000 0.232 495 D C -2.829 173.479 176.300 0.014 0.000 1.160 495 D CA -1.081 52.925 54.000 0.010 0.000 0.858 495 D CB 2.767 43.574 40.800 0.011 0.000 1.610 495 D HN 0.367 nan 8.370 nan 0.000 0.481 496 P HA 0.076 nan 4.420 nan 0.000 0.267 496 P C 0.878 178.190 177.300 0.020 0.000 1.209 496 P CA 0.095 63.207 63.100 0.020 0.000 0.763 496 P CB 0.607 32.322 31.700 0.026 0.000 0.816 497 T N 2.560 117.125 114.554 0.018 0.000 2.760 497 T HA -0.238 4.112 4.350 -0.001 0.000 0.269 497 T C 1.602 176.312 174.700 0.018 0.000 1.047 497 T CA 1.399 63.509 62.100 0.016 0.000 1.139 497 T CB -0.274 68.603 68.868 0.014 0.000 0.855 497 T HN 0.500 nan 8.240 nan 0.000 0.471 498 K N 0.896 121.308 120.400 0.021 0.000 2.097 498 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 498 K C 2.445 179.064 176.600 0.032 0.000 1.049 498 K CA 1.468 57.769 56.287 0.024 0.000 0.933 498 K CB -0.257 32.259 32.500 0.027 0.000 0.717 498 K HN 0.385 nan 8.250 nan 0.000 0.442 499 V N -1.023 118.910 119.914 0.033 0.000 2.358 499 V HA -0.155 3.964 4.120 -0.001 0.000 0.246 499 V C 1.844 177.962 176.094 0.041 0.000 1.047 499 V CA 2.197 64.520 62.300 0.039 0.000 1.035 499 V CB -0.906 30.936 31.823 0.031 0.000 0.658 499 V HN 0.238 nan 8.190 nan 0.000 0.452 500 T N 0.506 115.078 114.554 0.029 0.000 2.708 500 T HA -0.172 4.178 4.350 -0.001 0.000 0.266 500 T C 1.991 176.706 174.700 0.025 0.000 1.037 500 T CA 2.230 64.346 62.100 0.026 0.000 1.146 500 T CB -0.408 68.471 68.868 0.019 0.000 0.865 500 T HN 0.617 nan 8.240 nan 0.000 0.435 501 R N 0.896 121.406 120.500 0.017 0.000 2.083 501 R HA -0.119 4.221 4.340 -0.001 0.000 0.237 501 R C 2.571 178.870 176.300 -0.003 0.000 1.137 501 R CA 1.914 58.015 56.100 0.001 0.000 0.951 501 R CB -0.408 29.888 30.300 -0.006 0.000 0.851 501 R HN 0.249 nan 8.270 nan 0.000 0.434 502 S N 0.553 116.271 115.700 0.030 0.000 2.348 502 S HA -0.158 4.311 4.470 -0.001 0.000 0.221 502 S C 2.066 176.764 174.600 0.163 0.000 1.033 502 S CA 1.229 59.479 58.200 0.084 0.000 1.010 502 S CB -0.426 62.883 63.200 0.182 0.000 0.891 502 S HN 0.594 nan 8.310 nan 0.000 0.442 503 A N 1.474 124.373 122.820 0.132 0.000 1.892 503 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 503 A C 2.170 179.811 177.584 0.095 0.000 1.188 503 A CA 1.806 53.916 52.037 0.122 0.000 0.631 503 A CB -0.880 18.161 19.000 0.068 0.000 0.822 503 A HN 0.412 nan 8.150 nan 0.000 0.447 504 L N -0.217 121.034 121.223 0.048 0.000 1.994 504 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 504 L C 2.582 179.454 176.870 0.004 0.000 1.071 504 L CA 2.486 57.340 54.840 0.024 0.000 0.745 504 L CB -0.857 41.207 42.059 0.007 0.000 0.892 504 L HN 0.535 nan 8.230 nan 0.000 0.431 505 Q N -1.717 118.054 119.800 -0.048 0.000 2.096 505 Q HA -0.250 4.089 4.340 -0.001 0.000 0.204 505 Q C 2.193 178.112 176.000 -0.134 0.000 0.982 505 Q CA 2.118 57.843 55.803 -0.130 0.000 0.850 505 Q CB -0.409 28.182 28.738 -0.244 0.000 0.901 505 Q HN 0.518 nan 8.270 nan 0.000 0.422 506 Y N 0.311 120.609 120.300 -0.002 0.000 2.200 506 Y HA -0.176 4.373 4.550 -0.001 0.000 0.290 506 Y C 2.413 178.311 175.900 -0.002 0.000 1.137 506 Y CA 0.949 59.047 58.100 -0.003 0.000 1.163 506 Y CB -0.672 37.785 38.460 -0.006 0.000 0.988 506 Y HN 0.134 nan 8.280 nan 0.000 0.518 507 A N 0.054 122.965 122.820 0.153 0.000 1.858 507 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 507 A C 2.477 180.096 177.584 0.057 0.000 1.190 507 A CA 2.046 54.136 52.037 0.087 0.000 0.617 507 A CB -1.372 17.665 19.000 0.061 0.000 0.827 507 A HN 0.383 nan 8.150 nan 0.000 0.443 508 A N -0.748 122.094 122.820 0.036 0.000 1.978 508 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 508 A C 2.449 180.044 177.584 0.019 0.000 1.170 508 A CA 2.318 54.366 52.037 0.018 0.000 0.636 508 A CB -0.911 18.089 19.000 0.000 0.000 0.810 508 A HN 0.621 nan 8.150 nan 0.000 0.448 509 S N -0.922 114.795 115.700 0.028 0.000 2.343 509 S HA -0.139 4.330 4.470 -0.001 0.000 0.219 509 S C 1.984 176.611 174.600 0.045 0.000 1.033 509 S CA 1.742 59.962 58.200 0.033 0.000 1.014 509 S CB -0.638 62.594 63.200 0.053 0.000 0.915 509 S HN 0.612 nan 8.310 nan 0.000 0.435 510 V N 1.817 121.769 119.914 0.064 0.000 2.427 510 V HA 0.018 4.137 4.120 -0.001 0.000 0.248 510 V C 2.586 178.700 176.094 0.034 0.000 1.051 510 V CA 2.012 64.342 62.300 0.049 0.000 1.048 510 V CB -1.089 30.765 31.823 0.051 0.000 0.666 510 V HN 0.601 nan 8.190 nan 0.000 0.456 511 A N 0.123 122.963 122.820 0.032 0.000 1.902 511 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 511 A C 2.379 179.974 177.584 0.020 0.000 1.181 511 A CA 1.870 53.921 52.037 0.024 0.000 0.623 511 A CB -1.434 17.579 19.000 0.022 0.000 0.818 511 A HN 0.655 nan 8.150 nan 0.000 0.443 512 G N -0.248 108.564 108.800 0.019 0.000 2.422 512 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.218 512 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.218 512 G C 1.555 176.464 174.900 0.016 0.000 1.146 512 G CA 1.012 46.120 45.100 0.015 0.000 0.769 512 G HN 0.427 nan 8.290 nan 0.000 0.547 513 L N -0.313 120.922 121.223 0.020 0.000 2.017 513 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 513 L C 3.132 180.014 176.870 0.019 0.000 1.073 513 L CA 1.122 55.974 54.840 0.020 0.000 0.745 513 L CB -0.340 41.733 42.059 0.023 0.000 0.894 513 L HN 0.253 nan 8.230 nan 0.000 0.432 514 M N -0.573 119.039 119.600 0.020 0.000 2.086 514 M HA -0.221 4.259 4.480 -0.001 0.000 0.261 514 M C 2.311 178.621 176.300 0.017 0.000 1.067 514 M CA 1.814 57.126 55.300 0.019 0.000 1.116 514 M CB -0.367 32.244 32.600 0.020 0.000 1.348 514 M HN 0.188 nan 8.290 nan 0.000 0.407 515 I N 0.121 120.701 120.570 0.016 0.000 2.335 515 I HA -0.236 3.933 4.170 -0.001 0.000 0.251 515 I C 1.694 177.820 176.117 0.015 0.000 1.129 515 I CA 1.493 62.802 61.300 0.014 0.000 1.402 515 I CB -0.544 37.463 38.000 0.012 0.000 1.069 515 I HN 0.405 nan 8.210 nan 0.000 0.424 516 T N -3.075 111.489 114.554 0.016 0.000 3.251 516 T HA 0.175 4.525 4.350 -0.001 0.000 0.259 516 T C 0.404 175.117 174.700 0.021 0.000 0.998 516 T CA -0.326 61.785 62.100 0.018 0.000 0.905 516 T CB -0.359 68.519 68.868 0.016 0.000 1.067 516 T HN -0.066 nan 8.240 nan 0.000 0.569 517 T N 1.898 116.465 114.554 0.022 0.000 2.795 517 T HA 0.379 4.728 4.350 -0.001 0.000 0.282 517 T C 0.478 175.196 174.700 0.029 0.000 0.980 517 T CA -0.580 61.534 62.100 0.023 0.000 1.012 517 T CB 1.780 70.660 68.868 0.020 0.000 0.936 517 T HN 0.080 nan 8.240 nan 0.000 0.457 518 E N 0.519 120.743 120.200 0.041 0.000 2.485 518 E HA 0.191 4.540 4.350 -0.001 0.000 0.213 518 E C 0.003 176.650 176.600 0.078 0.000 0.923 518 E CA 0.122 56.566 56.400 0.073 0.000 1.054 518 E CB 0.770 30.530 29.700 0.100 0.000 1.077 518 E HN 0.553 nan 8.360 nan 0.000 0.509 519 C N 0.540 119.843 119.300 0.004 0.000 2.888 519 C HA 0.692 5.151 4.460 -0.001 0.000 0.308 519 C C -1.343 173.580 174.990 -0.111 0.000 1.213 519 C CA -0.579 58.353 59.018 -0.142 0.000 1.461 519 C CB 0.562 28.217 27.740 -0.142 0.000 1.934 519 C HN 0.132 nan 8.230 nan 0.000 0.474 520 M N 4.901 124.417 119.600 -0.141 0.000 2.327 520 M HA 0.555 5.034 4.480 -0.001 0.000 0.298 520 M C -1.183 175.170 176.300 0.088 0.000 1.065 520 M CA -0.534 54.792 55.300 0.043 0.000 0.916 520 M CB 2.101 34.838 32.600 0.228 0.000 1.630 520 M HN 0.355 nan 8.290 nan 0.000 0.442 521 V N 1.500 121.433 119.914 0.031 0.000 2.487 521 V HA 0.745 4.865 4.120 -0.001 0.000 0.298 521 V C -0.247 175.798 176.094 -0.081 0.000 1.028 521 V CA -0.370 61.925 62.300 -0.007 0.000 0.860 521 V CB 1.877 33.681 31.823 -0.032 0.000 0.991 521 V HN 0.955 nan 8.190 nan 0.000 0.427 522 T N 2.375 116.831 114.554 -0.164 0.000 2.812 522 T HA 0.458 4.807 4.350 -0.001 0.000 0.294 522 T C -1.057 173.527 174.700 -0.193 0.000 1.159 522 T CA -0.510 61.428 62.100 -0.269 0.000 1.008 522 T CB 1.924 70.444 68.868 -0.580 0.000 1.289 522 T HN 0.677 nan 8.240 nan 0.000 0.514 523 D N 0.860 121.156 120.400 -0.174 0.000 2.358 523 D HA 0.433 5.073 4.640 -0.001 0.000 0.244 523 D C -0.428 175.808 176.300 -0.106 0.000 1.163 523 D CA -0.269 53.665 54.000 -0.110 0.000 0.945 523 D CB 0.427 41.175 40.800 -0.086 0.000 1.152 523 D HN 0.160 nan 8.370 nan 0.000 0.451 524 L N 2.817 124.006 121.223 -0.056 0.000 2.367 524 L HA 0.271 4.610 4.340 -0.001 0.000 0.275 524 L C -1.448 175.401 176.870 -0.035 0.000 1.129 524 L CA -1.276 53.545 54.840 -0.031 0.000 0.839 524 L CB -0.283 41.771 42.059 -0.009 0.000 1.133 524 L HN 0.412 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.085 63.100 -0.024 0.000 0.800 525 P CB 0.000 31.696 31.700 -0.007 0.000 0.726