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 1pf9_1_N DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 3.451 126.268 122.820 -0.004 0.000 2.477 3 A HA 0.571 4.891 4.320 -0.000 0.000 0.246 3 A C 0.405 177.987 177.584 -0.004 0.000 1.078 3 A CA 0.171 52.209 52.037 0.002 0.000 0.770 3 A CB 0.157 19.162 19.000 0.008 0.000 1.011 3 A HN 0.630 nan 8.150 nan 0.000 0.494 4 K N 1.455 121.855 120.400 -0.000 0.000 2.139 4 K HA 0.413 4.733 4.320 -0.000 0.000 0.243 4 K C -1.146 175.466 176.600 0.020 0.000 0.983 4 K CA -0.697 55.584 56.287 -0.009 0.000 0.890 4 K CB 1.272 33.761 32.500 -0.018 0.000 1.090 4 K HN 0.695 nan 8.250 nan 0.000 0.445 5 D N 1.074 121.489 120.400 0.025 0.000 2.381 5 D HA 0.274 4.914 4.640 -0.000 0.000 0.235 5 D C -1.233 175.186 176.300 0.198 0.000 1.068 5 D CA -0.615 53.458 54.000 0.120 0.000 0.832 5 D CB 1.139 42.035 40.800 0.159 0.000 1.101 5 D HN 0.078 nan 8.370 nan 0.000 0.515 6 V N 4.227 124.231 119.914 0.150 0.000 2.398 6 V HA 0.450 4.570 4.120 -0.000 0.000 0.286 6 V C 0.289 176.350 176.094 -0.054 0.000 1.026 6 V CA -0.737 61.581 62.300 0.030 0.000 0.868 6 V CB 1.490 33.283 31.823 -0.049 0.000 0.982 6 V HN 0.379 nan 8.190 nan 0.000 0.443 7 K N 3.328 123.616 120.400 -0.187 0.000 2.316 7 K HA 0.725 5.044 4.320 -0.000 0.000 0.251 7 K C -1.520 174.816 176.600 -0.441 0.000 0.934 7 K CA -0.418 55.682 56.287 -0.312 0.000 0.802 7 K CB 1.880 34.004 32.500 -0.626 0.000 1.171 7 K HN 0.492 nan 8.250 nan 0.000 0.426 8 F N 0.790 120.702 119.950 -0.063 0.000 2.538 8 F HA 0.375 4.902 4.527 -0.001 0.000 0.325 8 F C 1.381 177.155 175.800 -0.042 0.000 1.066 8 F CA 0.242 58.222 58.000 -0.033 0.000 0.946 8 F CB 1.831 40.819 39.000 -0.019 0.000 1.199 8 F HN 0.817 nan 8.300 nan 0.000 0.473 9 G N 2.293 111.210 108.800 0.195 0.000 2.699 9 G HA2 -0.510 3.450 3.960 -0.000 0.000 0.351 9 G HA3 -0.510 3.450 3.960 -0.000 0.000 0.351 9 G C 1.244 176.171 174.900 0.045 0.000 1.191 9 G CA 1.544 46.706 45.100 0.104 0.000 0.953 9 G HN 0.682 nan 8.290 nan 0.000 0.557 10 N N 1.084 119.804 118.700 0.033 0.000 2.039 10 N HA -0.029 4.711 4.740 -0.000 0.000 0.193 10 N C 1.898 177.395 175.510 -0.022 0.000 1.044 10 N CA 1.902 54.955 53.050 0.005 0.000 0.847 10 N CB -0.359 38.130 38.487 0.003 0.000 1.030 10 N HN 0.556 nan 8.380 nan 0.000 0.422 11 D N 0.485 120.865 120.400 -0.033 0.000 2.205 11 D HA -0.257 4.383 4.640 -0.000 0.000 0.190 11 D C 1.843 178.053 176.300 -0.149 0.000 1.002 11 D CA 1.768 55.711 54.000 -0.095 0.000 0.848 11 D CB -0.993 39.741 40.800 -0.110 0.000 0.975 11 D HN 0.331 nan 8.370 nan 0.000 0.449 12 A N 1.055 123.782 122.820 -0.154 0.000 1.909 12 A HA -0.330 3.990 4.320 -0.000 0.000 0.221 12 A C 2.208 179.744 177.584 -0.081 0.000 1.223 12 A CA 2.606 54.548 52.037 -0.159 0.000 0.658 12 A CB -0.751 18.195 19.000 -0.091 0.000 0.831 12 A HN 0.232 nan 8.150 nan 0.000 0.462 13 R N -1.200 119.275 120.500 -0.040 0.000 2.092 13 R HA -0.021 4.318 4.340 -0.000 0.000 0.231 13 R C 2.121 178.410 176.300 -0.018 0.000 1.119 13 R CA 1.223 57.314 56.100 -0.015 0.000 0.970 13 R CB -0.613 29.686 30.300 -0.002 0.000 0.864 13 R HN 0.418 nan 8.270 nan 0.000 0.440 14 V N 1.777 121.672 119.914 -0.033 0.000 2.255 14 V HA -0.296 3.823 4.120 -0.000 0.000 0.247 14 V C 2.262 178.341 176.094 -0.026 0.000 1.051 14 V CA 1.720 64.003 62.300 -0.028 0.000 1.018 14 V CB -0.392 31.410 31.823 -0.035 0.000 0.641 14 V HN 0.200 nan 8.190 nan 0.000 0.445 15 K N -0.518 119.850 120.400 -0.053 0.000 2.034 15 K HA -0.221 4.099 4.320 -0.000 0.000 0.214 15 K C 2.105 178.720 176.600 0.025 0.000 1.051 15 K CA 1.938 58.211 56.287 -0.024 0.000 0.931 15 K CB -0.777 31.673 32.500 -0.084 0.000 0.715 15 K HN 0.409 nan 8.250 nan 0.000 0.446 16 M N -0.062 119.553 119.600 0.025 0.000 2.108 16 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 16 M C 2.171 178.487 176.300 0.028 0.000 1.066 16 M CA 1.233 56.557 55.300 0.040 0.000 1.107 16 M CB -0.358 32.263 32.600 0.035 0.000 1.356 16 M HN 0.075 nan 8.290 nan 0.000 0.406 17 L N 0.662 121.894 121.223 0.016 0.000 1.970 17 L HA -0.234 4.105 4.340 -0.000 0.000 0.212 17 L C 2.425 179.304 176.870 0.014 0.000 1.071 17 L CA 1.978 56.825 54.840 0.013 0.000 0.751 17 L CB -0.683 41.379 42.059 0.006 0.000 0.889 17 L HN 0.193 nan 8.230 nan 0.000 0.432 18 R N -0.523 119.985 120.500 0.013 0.000 2.096 18 R HA -0.153 4.186 4.340 -0.000 0.000 0.240 18 R C 2.207 178.519 176.300 0.020 0.000 1.139 18 R CA 1.309 57.418 56.100 0.015 0.000 0.952 18 R CB -1.326 28.983 30.300 0.014 0.000 0.854 18 R HN 0.611 nan 8.270 nan 0.000 0.436 19 G N 1.152 109.969 108.800 0.029 0.000 2.553 19 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 19 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 19 G C 1.478 176.391 174.900 0.022 0.000 1.195 19 G CA 1.242 46.360 45.100 0.031 0.000 0.779 19 G HN 0.327 nan 8.290 nan 0.000 0.577 20 V N 0.861 120.787 119.914 0.021 0.000 2.407 20 V HA -0.194 3.925 4.120 -0.000 0.000 0.248 20 V C 2.191 178.293 176.094 0.013 0.000 1.055 20 V CA 2.803 65.113 62.300 0.017 0.000 1.049 20 V CB -0.826 31.007 31.823 0.018 0.000 0.662 20 V HN 0.511 nan 8.190 nan 0.000 0.455 21 N N -0.167 118.541 118.700 0.013 0.000 2.104 21 N HA -0.164 4.575 4.740 -0.000 0.000 0.190 21 N C 1.808 177.324 175.510 0.009 0.000 1.024 21 N CA 1.741 54.797 53.050 0.011 0.000 0.853 21 N CB -0.279 38.214 38.487 0.010 0.000 1.008 21 N HN 0.458 nan 8.380 nan 0.000 0.424 22 V N 1.748 121.668 119.914 0.010 0.000 2.287 22 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 22 V C 2.251 178.349 176.094 0.007 0.000 1.053 22 V CA 1.352 63.657 62.300 0.008 0.000 1.027 22 V CB -0.598 31.230 31.823 0.010 0.000 0.646 22 V HN 0.398 nan 8.190 nan 0.000 0.447 23 L N -0.001 121.226 121.223 0.007 0.000 1.956 23 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 23 L C 2.618 179.490 176.870 0.004 0.000 1.073 23 L CA 2.589 57.432 54.840 0.004 0.000 0.762 23 L CB -0.792 41.270 42.059 0.005 0.000 0.889 23 L HN 0.398 nan 8.230 nan 0.000 0.433 24 A N -0.674 122.149 122.820 0.006 0.000 1.902 24 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 24 A C 1.802 179.390 177.584 0.005 0.000 1.181 24 A CA 1.970 54.010 52.037 0.006 0.000 0.623 24 A CB -0.597 18.409 19.000 0.008 0.000 0.818 24 A HN 0.535 nan 8.150 nan 0.000 0.443 25 D N -0.193 120.210 120.400 0.006 0.000 2.219 25 D HA 0.042 4.682 4.640 -0.000 0.000 0.205 25 D C 2.098 178.400 176.300 0.004 0.000 0.970 25 D CA 1.267 55.270 54.000 0.005 0.000 0.851 25 D CB -0.228 40.575 40.800 0.005 0.000 0.943 25 D HN 0.445 nan 8.370 nan 0.000 0.488 26 A N 0.276 123.097 122.820 0.003 0.000 1.930 26 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 26 A C 2.265 179.850 177.584 0.001 0.000 1.176 26 A CA 0.749 52.787 52.037 0.002 0.000 0.632 26 A CB -0.415 18.585 19.000 0.001 0.000 0.819 26 A HN 0.179 nan 8.150 nan 0.000 0.445 27 V N 0.844 120.758 119.914 0.001 0.000 2.878 27 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 27 V C 2.314 178.408 176.094 0.000 0.000 1.075 27 V CA 2.083 64.382 62.300 -0.001 0.000 1.096 27 V CB -0.396 31.426 31.823 -0.003 0.000 0.724 27 V HN 0.776 nan 8.190 nan 0.000 0.467 28 K N 0.551 120.952 120.400 0.003 0.000 2.296 28 K HA -0.017 4.303 4.320 -0.000 0.000 0.200 28 K C 1.599 178.201 176.600 0.005 0.000 1.048 28 K CA 1.588 57.878 56.287 0.004 0.000 0.966 28 K CB -0.402 32.102 32.500 0.006 0.000 0.754 28 K HN 0.477 nan 8.250 nan 0.000 0.466 29 V N 0.105 120.021 119.914 0.004 0.000 3.241 29 V HA -0.084 4.036 4.120 -0.000 0.000 0.269 29 V C 1.772 177.868 176.094 0.003 0.000 1.151 29 V CA 1.481 63.783 62.300 0.004 0.000 1.158 29 V CB -1.134 30.692 31.823 0.004 0.000 0.764 29 V HN 0.513 nan 8.190 nan 0.000 0.508 30 T N -3.230 111.325 114.554 0.002 0.000 3.105 30 T HA 0.231 4.581 4.350 -0.000 0.000 0.253 30 T C 1.373 176.073 174.700 -0.001 0.000 1.047 30 T CA 0.467 62.567 62.100 -0.000 0.000 0.944 30 T CB 0.493 69.359 68.868 -0.002 0.000 1.016 30 T HN 0.340 nan 8.240 nan 0.000 0.544 31 L N 2.649 123.873 121.223 0.002 0.000 2.005 31 L HA 0.382 4.722 4.340 -0.000 0.000 0.207 31 L C 1.609 178.479 176.870 0.001 0.000 1.072 31 L CA 1.406 56.248 54.840 0.002 0.000 0.744 31 L CB -1.332 40.731 42.059 0.006 0.000 0.895 31 L HN 0.382 nan 8.230 nan 0.000 0.433 32 G N -0.607 108.195 108.800 0.004 0.000 2.680 32 G HA2 0.052 4.012 3.960 -0.000 0.000 0.274 32 G HA3 0.052 4.012 3.960 -0.000 0.000 0.274 32 G C -1.602 173.291 174.900 -0.011 0.000 1.292 32 G CA 0.179 45.279 45.100 -0.000 0.000 1.007 32 G HN 0.417 nan 8.290 nan 0.000 0.578 33 P HA 0.056 nan 4.420 nan 0.000 0.237 33 P C 0.407 177.693 177.300 -0.024 0.000 1.178 33 P CA 1.019 64.101 63.100 -0.030 0.000 0.766 33 P CB 0.387 32.057 31.700 -0.050 0.000 0.876 34 K N 0.412 120.802 120.400 -0.016 0.000 3.202 34 K HA 0.318 4.637 4.320 -0.000 0.000 0.206 34 K C 0.741 177.340 176.600 -0.003 0.000 1.142 34 K CA -0.393 55.888 56.287 -0.010 0.000 0.979 34 K CB 0.896 33.391 32.500 -0.009 0.000 0.863 34 K HN 0.001 nan 8.250 nan 0.000 0.479 35 G N 0.794 109.592 108.800 -0.004 0.000 2.667 35 G HA2 0.152 4.112 3.960 -0.000 0.000 0.250 35 G HA3 0.152 4.112 3.960 -0.000 0.000 0.250 35 G C 0.043 174.943 174.900 -0.000 0.000 1.212 35 G CA -0.455 44.645 45.100 -0.001 0.000 0.874 35 G HN 0.152 nan 8.290 nan 0.000 0.561 36 R N -0.212 120.289 120.500 0.001 0.000 2.674 36 R HA 0.292 4.632 4.340 -0.000 0.000 0.266 36 R C 0.072 176.372 176.300 0.000 0.000 1.016 36 R CA -0.759 55.342 56.100 0.001 0.000 1.062 36 R CB 0.694 30.995 30.300 0.002 0.000 1.142 36 R HN 0.660 nan 8.270 nan 0.000 0.517 37 N N 0.134 118.834 118.700 -0.000 0.000 2.509 37 N HA 0.282 5.022 4.740 -0.000 0.000 0.287 37 N C -0.595 174.915 175.510 -0.000 0.000 1.121 37 N CA -0.490 52.560 53.050 -0.000 0.000 0.977 37 N CB 1.802 40.288 38.487 -0.000 0.000 1.167 37 N HN 0.067 nan 8.380 nan 0.000 0.476 38 V N 1.537 121.450 119.914 -0.000 0.000 2.513 38 V HA 0.280 4.400 4.120 -0.000 0.000 0.299 38 V C 0.119 176.213 176.094 -0.000 0.000 1.035 38 V CA -0.835 61.465 62.300 -0.000 0.000 0.889 38 V CB 2.035 33.858 31.823 -0.001 0.000 0.988 38 V HN 0.356 nan 8.190 nan 0.000 0.440 39 V N 5.829 125.743 119.914 -0.000 0.000 2.394 39 V HA 0.412 4.532 4.120 -0.000 0.000 0.282 39 V C -0.520 175.574 176.094 0.000 0.000 1.031 39 V CA -0.529 61.771 62.300 0.000 0.000 0.881 39 V CB 1.382 33.205 31.823 -0.000 0.000 0.982 39 V HN 0.495 nan 8.190 nan 0.000 0.451 40 L N 4.314 125.538 121.223 0.001 0.000 2.318 40 L HA 0.489 4.828 4.340 -0.000 0.000 0.277 40 L C 0.058 176.930 176.870 0.003 0.000 1.008 40 L CA -0.314 54.527 54.840 0.002 0.000 0.846 40 L CB 0.910 42.971 42.059 0.003 0.000 1.220 40 L HN 0.586 nan 8.230 nan 0.000 0.423 41 D N 3.186 123.586 120.400 0.000 0.000 2.390 41 D HA 0.127 4.766 4.640 -0.000 0.000 0.236 41 D C -0.125 176.179 176.300 0.006 0.000 1.189 41 D CA 0.555 54.554 54.000 -0.001 0.000 0.887 41 D CB 0.805 41.599 40.800 -0.010 0.000 1.198 41 D HN 0.251 nan 8.370 nan 0.000 0.444 42 K N 1.216 121.623 120.400 0.012 0.000 2.535 42 K HA 0.196 4.516 4.320 -0.000 0.000 0.250 42 K C 0.731 177.350 176.600 0.031 0.000 0.948 42 K CA -0.497 55.812 56.287 0.036 0.000 0.796 42 K CB 1.306 33.837 32.500 0.050 0.000 1.216 42 K HN 0.375 nan 8.250 nan 0.000 0.432 43 S N 2.771 118.491 115.700 0.033 0.000 2.404 43 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 43 S C 0.628 175.107 174.600 -0.203 0.000 1.046 43 S CA 1.501 59.630 58.200 -0.119 0.000 1.135 43 S CB -0.355 62.748 63.200 -0.161 0.000 1.056 43 S HN 0.470 nan 8.310 nan 0.000 0.426 44 F N 1.273 121.222 119.950 -0.002 0.000 2.379 44 F HA 0.602 5.128 4.527 -0.001 0.000 0.332 44 F C 1.233 177.032 175.800 -0.002 0.000 1.096 44 F CA -0.105 57.894 58.000 -0.002 0.000 1.105 44 F CB 0.235 39.234 39.000 -0.001 0.000 1.189 44 F HN 0.517 nan 8.300 nan 0.000 0.515 45 G N 0.582 109.477 108.800 0.158 0.000 2.693 45 G HA2 0.190 4.150 3.960 -0.000 0.000 0.226 45 G HA3 0.190 4.150 3.960 -0.000 0.000 0.226 45 G C -0.637 174.294 174.900 0.051 0.000 1.354 45 G CA -0.713 44.442 45.100 0.093 0.000 0.873 45 G HN 1.160 nan 8.290 nan 0.000 0.562 46 A N 1.092 123.935 122.820 0.039 0.000 2.351 46 A HA 0.781 5.101 4.320 -0.000 0.000 0.257 46 A C -0.678 176.919 177.584 0.022 0.000 1.087 46 A CA 0.030 52.081 52.037 0.023 0.000 0.798 46 A CB -0.060 18.951 19.000 0.019 0.000 1.033 46 A HN 0.939 nan 8.150 nan 0.000 0.488 47 P HA 0.273 nan 4.420 nan 0.000 0.275 47 P C -0.384 176.923 177.300 0.012 0.000 1.270 47 P CA -0.090 63.017 63.100 0.011 0.000 0.791 47 P CB 0.361 32.063 31.700 0.005 0.000 1.089 48 T N 0.676 115.236 114.554 0.010 0.000 2.770 48 T HA 0.515 4.865 4.350 -0.000 0.000 0.283 48 T C 0.084 174.787 174.700 0.005 0.000 0.988 48 T CA -0.344 61.761 62.100 0.008 0.000 0.957 48 T CB -0.094 68.780 68.868 0.009 0.000 0.930 48 T HN 0.157 nan 8.240 nan 0.000 0.443 49 I N 2.975 123.547 120.570 0.004 0.000 2.336 49 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 49 I C 0.506 176.624 176.117 0.001 0.000 0.991 49 I CA -0.491 60.810 61.300 0.002 0.000 1.227 49 I CB 1.651 39.652 38.000 0.002 0.000 1.366 49 I HN 0.438 nan 8.210 nan 0.000 0.466 50 T N 4.425 118.979 114.554 0.000 0.000 2.889 50 T HA 0.343 4.692 4.350 -0.000 0.000 0.315 50 T C -0.130 174.569 174.700 -0.002 0.000 1.291 50 T CA -0.611 61.489 62.100 -0.001 0.000 1.028 50 T CB 1.657 70.525 68.868 -0.001 0.000 1.235 50 T HN 0.668 nan 8.240 nan 0.000 0.491 51 K N 1.563 121.962 120.400 -0.003 0.000 2.478 51 K HA 0.197 4.517 4.320 -0.000 0.000 0.205 51 K C -0.611 175.987 176.600 -0.004 0.000 1.033 51 K CA -0.244 56.041 56.287 -0.003 0.000 1.091 51 K CB 0.489 32.986 32.500 -0.004 0.000 0.844 51 K HN 0.393 nan 8.250 nan 0.000 0.507 52 D N 0.028 120.425 120.400 -0.005 0.000 2.443 52 D HA 0.119 4.759 4.640 -0.000 0.000 0.221 52 D C 1.117 177.413 176.300 -0.007 0.000 1.097 52 D CA -0.355 53.641 54.000 -0.006 0.000 0.865 52 D CB 1.278 42.075 40.800 -0.006 0.000 1.034 52 D HN 0.194 nan 8.370 nan 0.000 0.511 53 G N 2.472 111.268 108.800 -0.008 0.000 2.503 53 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.221 53 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.221 53 G C 1.515 176.407 174.900 -0.012 0.000 1.131 53 G CA 0.875 45.969 45.100 -0.009 0.000 0.756 53 G HN 0.477 nan 8.290 nan 0.000 0.572 54 V N 0.745 120.650 119.914 -0.015 0.000 2.343 54 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 54 V C 3.103 179.189 176.094 -0.015 0.000 1.051 54 V CA 2.222 64.511 62.300 -0.018 0.000 1.036 54 V CB -0.465 31.345 31.823 -0.021 0.000 0.654 54 V HN 0.383 nan 8.190 nan 0.000 0.451 55 S N -0.237 115.456 115.700 -0.011 0.000 2.356 55 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 55 S C 2.013 176.609 174.600 -0.007 0.000 1.032 55 S CA 1.599 59.794 58.200 -0.008 0.000 1.005 55 S CB -0.226 62.971 63.200 -0.005 0.000 0.867 55 S HN 0.377 nan 8.310 nan 0.000 0.449 56 V N 2.215 122.125 119.914 -0.006 0.000 2.233 56 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 56 V C 2.686 178.776 176.094 -0.007 0.000 1.050 56 V CA 1.800 64.097 62.300 -0.005 0.000 1.010 56 V CB -1.385 30.435 31.823 -0.004 0.000 0.637 56 V HN 0.544 nan 8.190 nan 0.000 0.444 57 A N 0.296 123.111 122.820 -0.009 0.000 1.903 57 A HA -0.369 3.950 4.320 -0.000 0.000 0.219 57 A C 2.382 179.959 177.584 -0.012 0.000 1.191 57 A CA 2.712 54.743 52.037 -0.011 0.000 0.638 57 A CB -0.755 18.236 19.000 -0.015 0.000 0.823 57 A HN 0.549 nan 8.150 nan 0.000 0.451 58 R N -0.816 119.677 120.500 -0.013 0.000 2.139 58 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 58 R C 1.693 177.986 176.300 -0.011 0.000 1.145 58 R CA 1.908 58.000 56.100 -0.014 0.000 0.976 58 R CB -0.183 30.108 30.300 -0.014 0.000 0.866 58 R HN 0.444 nan 8.270 nan 0.000 0.449 59 E N -0.062 120.133 120.200 -0.008 0.000 2.371 59 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 59 E C -0.170 176.427 176.600 -0.005 0.000 1.012 59 E CA 0.165 56.562 56.400 -0.006 0.000 0.860 59 E CB 0.233 29.931 29.700 -0.003 0.000 0.811 59 E HN 0.206 nan 8.360 nan 0.000 0.502 60 I N 2.158 122.725 120.570 -0.006 0.000 2.436 60 I HA 0.128 4.298 4.170 -0.000 0.000 0.289 60 I C 0.184 176.299 176.117 -0.004 0.000 1.083 60 I CA 0.318 61.616 61.300 -0.004 0.000 1.372 60 I CB -0.011 37.987 38.000 -0.002 0.000 1.408 60 I HN 0.049 nan 8.210 nan 0.000 0.516 61 E N 7.693 127.891 120.200 -0.004 0.000 2.307 61 E HA 0.482 4.832 4.350 -0.000 0.000 0.280 61 E C -1.781 174.818 176.600 -0.002 0.000 0.900 61 E CA -0.591 55.806 56.400 -0.004 0.000 0.790 61 E CB 1.651 31.347 29.700 -0.008 0.000 1.261 61 E HN 0.453 nan 8.360 nan 0.000 0.405 62 L N 3.177 124.401 121.223 0.001 0.000 2.358 62 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 62 L C 1.526 178.399 176.870 0.005 0.000 1.032 62 L CA -0.602 54.242 54.840 0.006 0.000 0.805 62 L CB 1.198 43.266 42.059 0.015 0.000 1.253 62 L HN 0.725 nan 8.230 nan 0.000 0.452 63 E N 0.161 120.367 120.200 0.009 0.000 2.051 63 E HA -0.146 4.204 4.350 -0.000 0.000 0.189 63 E C 0.395 177.004 176.600 0.015 0.000 0.979 63 E CA 0.329 56.733 56.400 0.008 0.000 0.803 63 E CB 0.287 29.993 29.700 0.009 0.000 0.761 63 E HN 0.635 nan 8.360 nan 0.000 0.451 64 D N 1.930 122.351 120.400 0.035 0.000 2.349 64 D HA -0.036 4.604 4.640 -0.000 0.000 0.266 64 D C -0.499 175.840 176.300 0.064 0.000 1.293 64 D CA 0.155 54.197 54.000 0.070 0.000 0.926 64 D CB 0.451 41.306 40.800 0.091 0.000 1.090 64 D HN 0.099 nan 8.370 nan 0.000 0.502 65 K N 2.890 123.294 120.400 0.007 0.000 2.344 65 K HA 0.055 4.374 4.320 -0.000 0.000 0.260 65 K C 0.641 177.237 176.600 -0.006 0.000 0.988 65 K CA -0.388 55.834 56.287 -0.108 0.000 0.909 65 K CB 0.768 33.100 32.500 -0.280 0.000 0.968 65 K HN 0.392 nan 8.250 nan 0.000 0.505 66 F N -1.266 118.673 119.950 -0.019 0.000 2.522 66 F HA -0.352 4.175 4.527 -0.001 0.000 0.755 66 F C 2.004 177.795 175.800 -0.015 0.000 0.485 66 F CA 1.737 59.724 58.000 -0.021 0.000 0.774 66 F CB -1.395 37.592 39.000 -0.022 0.000 1.618 66 F HN 0.755 nan 8.300 nan 0.000 0.279 67 E N 0.305 120.644 120.200 0.231 0.000 2.065 67 E HA -0.317 4.032 4.350 -0.000 0.000 0.201 67 E C 1.625 178.268 176.600 0.072 0.000 1.016 67 E CA 1.962 58.429 56.400 0.111 0.000 0.818 67 E CB -0.358 29.393 29.700 0.086 0.000 0.749 67 E HN 0.463 nan 8.360 nan 0.000 0.453 68 N N -0.052 118.681 118.700 0.054 0.000 2.061 68 N HA -0.192 4.547 4.740 -0.000 0.000 0.193 68 N C 1.763 177.281 175.510 0.014 0.000 1.030 68 N CA 1.739 54.800 53.050 0.019 0.000 0.856 68 N CB -0.062 38.422 38.487 -0.006 0.000 1.023 68 N HN 0.128 nan 8.380 nan 0.000 0.424 69 M N -0.578 119.031 119.600 0.015 0.000 2.106 69 M HA -0.113 4.366 4.480 -0.000 0.000 0.259 69 M C 2.246 178.563 176.300 0.028 0.000 1.068 69 M CA 1.775 57.082 55.300 0.012 0.000 1.100 69 M CB -0.917 31.693 32.600 0.015 0.000 1.351 69 M HN 0.340 nan 8.290 nan 0.000 0.404 70 G N 0.273 109.102 108.800 0.048 0.000 2.514 70 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 70 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 70 G C 1.630 176.545 174.900 0.025 0.000 1.198 70 G CA 1.392 46.516 45.100 0.040 0.000 0.780 70 G HN 0.564 nan 8.290 nan 0.000 0.565 71 A N -0.534 122.299 122.820 0.022 0.000 1.902 71 A HA -0.068 4.251 4.320 -0.000 0.000 0.217 71 A C 2.417 180.005 177.584 0.007 0.000 1.181 71 A CA 2.090 54.135 52.037 0.013 0.000 0.623 71 A CB -0.378 18.628 19.000 0.011 0.000 0.818 71 A HN 0.328 nan 8.150 nan 0.000 0.443 72 Q N -0.801 119.002 119.800 0.004 0.000 2.167 72 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 72 Q C 2.090 178.090 176.000 -0.001 0.000 0.970 72 Q CA 1.459 57.261 55.803 -0.003 0.000 0.855 72 Q CB -0.468 28.265 28.738 -0.008 0.000 0.911 72 Q HN 0.787 nan 8.270 nan 0.000 0.438 73 M N -0.698 118.906 119.600 0.007 0.000 2.086 73 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 73 M C 2.218 178.526 176.300 0.013 0.000 1.067 73 M CA 1.171 56.478 55.300 0.012 0.000 1.116 73 M CB -0.298 32.314 32.600 0.020 0.000 1.348 73 M HN -0.046 nan 8.290 nan 0.000 0.407 74 V N 0.354 120.275 119.914 0.013 0.000 2.295 74 V HA -0.284 3.835 4.120 -0.000 0.000 0.246 74 V C 2.199 178.291 176.094 -0.003 0.000 1.049 74 V CA 1.796 64.103 62.300 0.012 0.000 1.024 74 V CB -0.693 31.138 31.823 0.014 0.000 0.648 74 V HN 0.427 nan 8.190 nan 0.000 0.447 75 K N -0.287 120.108 120.400 -0.009 0.000 2.059 75 K HA -0.284 4.036 4.320 -0.000 0.000 0.212 75 K C 2.281 178.860 176.600 -0.036 0.000 1.050 75 K CA 2.073 58.347 56.287 -0.021 0.000 0.927 75 K CB -0.243 32.246 32.500 -0.017 0.000 0.714 75 K HN 0.516 nan 8.250 nan 0.000 0.447 76 E N 0.328 120.512 120.200 -0.027 0.000 2.058 76 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 76 E C 1.984 178.542 176.600 -0.071 0.000 0.997 76 E CA 1.236 57.614 56.400 -0.036 0.000 0.801 76 E CB 0.105 29.796 29.700 -0.015 0.000 0.746 76 E HN 0.094 nan 8.360 nan 0.000 0.450 77 V N 0.282 120.165 119.914 -0.052 0.000 2.535 77 V HA -0.075 4.045 4.120 -0.000 0.000 0.246 77 V C 2.141 178.104 176.094 -0.220 0.000 1.045 77 V CA 1.522 63.777 62.300 -0.075 0.000 1.058 77 V CB 0.013 31.883 31.823 0.078 0.000 0.689 77 V HN 0.389 nan 8.190 nan 0.000 0.461 78 A N -0.682 122.066 122.820 -0.119 0.000 1.969 78 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 78 A C 2.531 180.010 177.584 -0.175 0.000 1.169 78 A CA 2.031 53.994 52.037 -0.124 0.000 0.635 78 A CB -0.707 18.260 19.000 -0.054 0.000 0.810 78 A HN 0.619 nan 8.150 nan 0.000 0.445 79 S N -0.254 115.351 115.700 -0.158 0.000 2.406 79 S HA -0.138 4.331 4.470 -0.000 0.000 0.228 79 S C 1.919 176.390 174.600 -0.214 0.000 1.020 79 S CA 1.437 59.549 58.200 -0.147 0.000 0.965 79 S CB -0.320 62.822 63.200 -0.096 0.000 0.798 79 S HN 0.585 nan 8.310 nan 0.000 0.488 80 K N 1.078 121.279 120.400 -0.331 0.000 2.097 80 K HA 0.032 4.352 4.320 -0.000 0.000 0.205 80 K C 2.514 178.749 176.600 -0.608 0.000 1.050 80 K CA 1.057 57.073 56.287 -0.452 0.000 0.938 80 K CB -0.535 31.609 32.500 -0.594 0.000 0.718 80 K HN 0.482 nan 8.250 nan 0.000 0.442 81 A N 2.633 124.990 122.820 -0.772 0.000 1.859 81 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 81 A C 2.082 179.555 177.584 -0.185 0.000 1.198 81 A CA 1.945 53.733 52.037 -0.413 0.000 0.629 81 A CB -0.917 17.973 19.000 -0.184 0.000 0.830 81 A HN 0.353 nan 8.150 nan 0.000 0.446 82 N N -0.006 118.591 118.700 -0.173 0.000 2.094 82 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 82 N C 1.211 176.638 175.510 -0.138 0.000 1.023 82 N CA 1.947 54.915 53.050 -0.137 0.000 0.857 82 N CB -0.428 37.986 38.487 -0.123 0.000 1.013 82 N HN 0.420 nan 8.380 nan 0.000 0.426 83 D N 0.163 120.482 120.400 -0.135 0.000 2.123 83 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 83 D C 1.503 177.770 176.300 -0.055 0.000 0.992 83 D CA 1.333 55.279 54.000 -0.091 0.000 0.833 83 D CB -0.180 40.566 40.800 -0.089 0.000 0.954 83 D HN 0.450 nan 8.370 nan 0.000 0.455 84 A N -0.442 122.354 122.820 -0.041 0.000 2.147 84 A HA 0.419 4.739 4.320 -0.000 0.000 0.211 84 A C 1.888 179.482 177.584 0.016 0.000 1.160 84 A CA 1.178 53.228 52.037 0.022 0.000 0.781 84 A CB 0.336 19.398 19.000 0.103 0.000 0.842 84 A HN 0.210 nan 8.150 nan 0.000 0.475 85 A N -2.641 120.166 122.820 -0.022 0.000 2.026 85 A HA 0.488 4.808 4.320 -0.000 0.000 0.198 85 A C 1.646 179.176 177.584 -0.090 0.000 1.390 85 A CA 1.195 53.218 52.037 -0.023 0.000 0.915 85 A CB 0.009 19.009 19.000 0.000 0.000 0.974 85 A HN 1.676 nan 8.150 nan 0.000 0.477 86 G N -1.458 107.228 108.800 -0.190 0.000 2.192 86 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.193 86 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.193 86 G C -0.323 174.434 174.900 -0.238 0.000 0.999 86 G CA 0.390 45.262 45.100 -0.381 0.000 0.659 86 G HN 0.715 nan 8.290 nan 0.000 0.503 87 D N -2.481 117.838 120.400 -0.134 0.000 2.764 87 D HA 0.546 5.186 4.640 -0.000 0.000 0.293 87 D C 0.964 177.230 176.300 -0.057 0.000 1.287 87 D CA 1.114 55.064 54.000 -0.083 0.000 0.768 87 D CB 0.686 41.453 40.800 -0.054 0.000 1.288 87 D HN 1.313 nan 8.370 nan 0.000 0.426 88 G N -0.424 108.352 108.800 -0.039 0.000 2.238 88 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 88 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 88 G C 1.147 176.031 174.900 -0.027 0.000 0.996 88 G CA 1.117 46.204 45.100 -0.022 0.000 0.632 88 G HN 0.624 nan 8.290 nan 0.000 0.503 89 T N 1.053 115.578 114.554 -0.048 0.000 2.616 89 T HA -0.318 4.032 4.350 -0.000 0.000 0.261 89 T C 2.292 176.974 174.700 -0.030 0.000 1.105 89 T CA 2.953 65.023 62.100 -0.050 0.000 1.159 89 T CB -1.113 67.723 68.868 -0.053 0.000 0.856 89 T HN 0.571 nan 8.240 nan 0.000 0.449 90 T N 1.360 115.901 114.554 -0.021 0.000 2.770 90 T HA -0.082 4.268 4.350 -0.000 0.000 0.263 90 T C 2.367 177.065 174.700 -0.003 0.000 1.039 90 T CA 1.625 63.718 62.100 -0.011 0.000 1.142 90 T CB -0.842 68.020 68.868 -0.009 0.000 0.868 90 T HN 0.449 nan 8.240 nan 0.000 0.435 91 T N 2.131 116.685 114.554 -0.001 0.000 2.635 91 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 91 T C 2.370 177.079 174.700 0.015 0.000 1.040 91 T CA 1.432 63.538 62.100 0.009 0.000 1.156 91 T CB -0.702 68.172 68.868 0.011 0.000 0.863 91 T HN 0.435 nan 8.240 nan 0.000 0.430 92 A N 1.168 123.997 122.820 0.015 0.000 1.884 92 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 92 A C 2.561 180.159 177.584 0.023 0.000 1.197 92 A CA 2.592 54.647 52.037 0.029 0.000 0.637 92 A CB -1.506 17.509 19.000 0.024 0.000 0.827 92 A HN 0.512 nan 8.150 nan 0.000 0.450 93 T N -0.275 114.285 114.554 0.009 0.000 2.635 93 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 93 T C 1.870 176.578 174.700 0.013 0.000 1.040 93 T CA 1.815 63.920 62.100 0.009 0.000 1.156 93 T CB -0.623 68.246 68.868 0.000 0.000 0.863 93 T HN 0.180 nan 8.240 nan 0.000 0.430 94 V N 1.277 121.198 119.914 0.012 0.000 2.332 94 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 94 V C 2.469 178.573 176.094 0.017 0.000 1.055 94 V CA 1.560 63.868 62.300 0.013 0.000 1.038 94 V CB -0.661 31.169 31.823 0.013 0.000 0.651 94 V HN 0.428 nan 8.190 nan 0.000 0.450 95 L N -0.150 121.086 121.223 0.021 0.000 2.109 95 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 95 L C 2.710 179.595 176.870 0.025 0.000 1.086 95 L CA 1.282 56.137 54.840 0.024 0.000 0.760 95 L CB -0.754 41.322 42.059 0.029 0.000 0.910 95 L HN 0.336 nan 8.230 nan 0.000 0.437 96 A N -0.389 122.447 122.820 0.028 0.000 1.908 96 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 96 A C 2.285 179.883 177.584 0.022 0.000 1.181 96 A CA 2.010 54.064 52.037 0.029 0.000 0.627 96 A CB -0.587 18.431 19.000 0.031 0.000 0.818 96 A HN 0.507 nan 8.150 nan 0.000 0.445 97 Q N -0.585 119.226 119.800 0.019 0.000 2.046 97 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 97 Q C 2.227 178.236 176.000 0.015 0.000 0.975 97 Q CA 1.567 57.379 55.803 0.016 0.000 0.836 97 Q CB -0.357 28.389 28.738 0.013 0.000 0.896 97 Q HN 0.587 nan 8.270 nan 0.000 0.428 98 A N 0.814 123.643 122.820 0.015 0.000 1.908 98 A HA -0.193 4.126 4.320 -0.000 0.000 0.218 98 A C 1.969 179.562 177.584 0.014 0.000 1.181 98 A CA 1.636 53.681 52.037 0.014 0.000 0.627 98 A CB -0.672 18.337 19.000 0.015 0.000 0.818 98 A HN 0.480 nan 8.150 nan 0.000 0.445 99 I N -0.482 120.097 120.570 0.016 0.000 2.233 99 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 99 I C 2.273 178.399 176.117 0.014 0.000 1.093 99 I CA 1.120 62.429 61.300 0.014 0.000 1.380 99 I CB -0.346 37.663 38.000 0.016 0.000 1.067 99 I HN 0.260 nan 8.210 nan 0.000 0.413 100 I N 0.445 121.024 120.570 0.015 0.000 2.208 100 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 100 I C 2.562 178.686 176.117 0.012 0.000 1.097 100 I CA 1.542 62.850 61.300 0.015 0.000 1.363 100 I CB -0.685 37.325 38.000 0.017 0.000 1.051 100 I HN 0.272 nan 8.210 nan 0.000 0.413 101 T N 0.143 114.704 114.554 0.011 0.000 2.652 101 T HA -0.174 4.175 4.350 -0.000 0.000 0.267 101 T C 1.866 176.570 174.700 0.008 0.000 1.039 101 T CA 1.358 63.464 62.100 0.009 0.000 1.153 101 T CB -0.135 68.738 68.868 0.009 0.000 0.863 101 T HN 0.295 nan 8.240 nan 0.000 0.428 102 E N 0.357 120.562 120.200 0.008 0.000 2.076 102 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 102 E C 2.579 179.183 176.600 0.007 0.000 0.979 102 E CA 0.840 57.244 56.400 0.007 0.000 0.807 102 E CB -0.678 29.026 29.700 0.007 0.000 0.761 102 E HN 0.531 nan 8.360 nan 0.000 0.454 103 G N 1.277 110.082 108.800 0.008 0.000 2.418 103 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 103 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 103 G C 1.531 176.436 174.900 0.008 0.000 1.158 103 G CA 0.350 45.455 45.100 0.008 0.000 0.771 103 G HN 0.155 nan 8.290 nan 0.000 0.545 104 L N 0.395 121.623 121.223 0.008 0.000 2.141 104 L HA 0.159 4.499 4.340 -0.000 0.000 0.209 104 L C 2.677 179.551 176.870 0.006 0.000 1.094 104 L CA 1.355 56.200 54.840 0.007 0.000 0.763 104 L CB -0.567 41.497 42.059 0.008 0.000 0.908 104 L HN 0.169 nan 8.230 nan 0.000 0.437 105 K N -1.100 119.303 120.400 0.005 0.000 2.026 105 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 105 K C 2.119 178.721 176.600 0.004 0.000 1.048 105 K CA 1.325 57.614 56.287 0.004 0.000 0.929 105 K CB -0.252 32.250 32.500 0.004 0.000 0.713 105 K HN 0.328 nan 8.250 nan 0.000 0.439 106 A N 1.125 123.948 122.820 0.004 0.000 1.873 106 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 106 A C 2.326 179.913 177.584 0.004 0.000 1.193 106 A CA 2.198 54.238 52.037 0.004 0.000 0.629 106 A CB -1.167 17.836 19.000 0.005 0.000 0.826 106 A HN 0.280 nan 8.150 nan 0.000 0.447 107 V N -1.701 118.217 119.914 0.006 0.000 2.392 107 V HA -0.087 4.032 4.120 -0.000 0.000 0.249 107 V C 2.378 178.475 176.094 0.005 0.000 1.059 107 V CA 2.450 64.754 62.300 0.006 0.000 1.051 107 V CB -1.045 30.783 31.823 0.009 0.000 0.658 107 V HN 0.625 nan 8.190 nan 0.000 0.455 108 A N -0.272 122.551 122.820 0.004 0.000 2.167 108 A HA 0.490 4.810 4.320 -0.000 0.000 0.214 108 A C 2.317 179.902 177.584 0.002 0.000 1.151 108 A CA 1.279 53.317 52.037 0.003 0.000 0.735 108 A CB -0.640 18.361 19.000 0.001 0.000 0.802 108 A HN 1.031 nan 8.150 nan 0.000 0.467 109 A N -1.578 121.243 122.820 0.002 0.000 2.123 109 A HA 0.418 4.738 4.320 -0.000 0.000 0.214 109 A C 1.634 179.218 177.584 0.001 0.000 1.152 109 A CA 1.271 53.308 52.037 0.001 0.000 0.728 109 A CB -0.468 18.533 19.000 0.001 0.000 0.814 109 A HN 1.725 nan 8.150 nan 0.000 0.464 110 G N -1.695 107.106 108.800 0.002 0.000 2.145 110 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.145 110 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.145 110 G C 0.010 174.911 174.900 0.002 0.000 1.017 110 G CA 0.066 45.167 45.100 0.002 0.000 0.682 110 G HN 0.302 nan 8.290 nan 0.000 0.504 111 M N 0.235 119.837 119.600 0.003 0.000 2.371 111 M HA 0.369 4.849 4.480 -0.000 0.000 0.301 111 M C 0.577 176.879 176.300 0.004 0.000 1.173 111 M CA -0.828 54.474 55.300 0.003 0.000 1.020 111 M CB 0.647 33.249 32.600 0.003 0.000 1.490 111 M HN 0.097 nan 8.290 nan 0.000 0.485 112 N N 1.700 120.403 118.700 0.004 0.000 2.401 112 N HA 0.145 4.884 4.740 -0.000 0.000 0.255 112 N C -2.142 173.372 175.510 0.007 0.000 1.110 112 N CA -1.426 51.627 53.050 0.005 0.000 0.949 112 N CB 1.117 39.607 38.487 0.004 0.000 1.110 112 N HN 0.251 nan 8.380 nan 0.000 0.490 113 P HA -0.143 nan 4.420 nan 0.000 0.216 113 P C 1.387 178.692 177.300 0.009 0.000 1.153 113 P CA 1.305 64.410 63.100 0.010 0.000 0.858 113 P CB 0.261 31.969 31.700 0.013 0.000 0.789 114 M N -0.964 118.640 119.600 0.008 0.000 2.175 114 M HA -0.108 4.371 4.480 -0.000 0.000 0.264 114 M C 1.470 177.773 176.300 0.005 0.000 1.063 114 M CA 1.657 56.961 55.300 0.007 0.000 1.119 114 M CB -0.894 31.710 32.600 0.007 0.000 1.377 114 M HN -0.192 nan 8.290 nan 0.000 0.415 115 D N -0.341 120.062 120.400 0.005 0.000 2.117 115 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 115 D C 2.068 178.370 176.300 0.004 0.000 0.982 115 D CA 1.266 55.268 54.000 0.004 0.000 0.828 115 D CB -0.274 40.528 40.800 0.003 0.000 0.967 115 D HN 0.334 nan 8.370 nan 0.000 0.464 116 L N 0.861 122.087 121.223 0.005 0.000 2.042 116 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 116 L C 2.577 179.450 176.870 0.004 0.000 1.076 116 L CA 1.242 56.085 54.840 0.005 0.000 0.749 116 L CB -0.401 41.662 42.059 0.006 0.000 0.893 116 L HN 0.002 nan 8.230 nan 0.000 0.432 117 K N 0.347 120.750 120.400 0.005 0.000 2.002 117 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 117 K C 2.297 178.897 176.600 0.001 0.000 1.048 117 K CA 1.482 57.772 56.287 0.004 0.000 0.930 117 K CB -0.060 32.443 32.500 0.004 0.000 0.714 117 K HN 0.042 nan 8.250 nan 0.000 0.438 118 R N -0.230 120.271 120.500 0.001 0.000 2.143 118 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 118 R C 2.338 178.637 176.300 -0.001 0.000 1.126 118 R CA 2.183 58.283 56.100 -0.000 0.000 0.927 118 R CB -0.999 29.301 30.300 0.000 0.000 0.860 118 R HN 0.494 nan 8.270 nan 0.000 0.433 119 G N 0.660 109.461 108.800 0.001 0.000 2.553 119 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 119 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 119 G C 1.446 176.346 174.900 0.001 0.000 1.195 119 G CA 1.520 46.621 45.100 0.001 0.000 0.779 119 G HN 0.335 nan 8.290 nan 0.000 0.577 120 I N 1.080 121.651 120.570 0.002 0.000 2.087 120 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 120 I C 2.465 178.581 176.117 -0.002 0.000 1.054 120 I CA 1.788 63.089 61.300 0.002 0.000 1.311 120 I CB -0.273 37.729 38.000 0.003 0.000 1.024 120 I HN 0.083 nan 8.210 nan 0.000 0.402 121 D N 0.434 120.831 120.400 -0.004 0.000 2.149 121 D HA -0.213 4.427 4.640 -0.000 0.000 0.198 121 D C 2.086 178.381 176.300 -0.008 0.000 0.990 121 D CA 1.177 55.172 54.000 -0.009 0.000 0.839 121 D CB -0.222 40.572 40.800 -0.010 0.000 0.948 121 D HN 0.326 nan 8.370 nan 0.000 0.460 122 K N 0.477 120.874 120.400 -0.005 0.000 2.001 122 K HA -0.069 4.251 4.320 -0.000 0.000 0.208 122 K C 2.096 178.695 176.600 -0.003 0.000 1.048 122 K CA 1.125 57.410 56.287 -0.004 0.000 0.932 122 K CB -0.083 32.415 32.500 -0.002 0.000 0.715 122 K HN 0.005 nan 8.250 nan 0.000 0.437 123 A N 0.778 123.597 122.820 -0.001 0.000 1.927 123 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 123 A C 2.244 179.829 177.584 0.001 0.000 1.185 123 A CA 2.016 54.054 52.037 0.001 0.000 0.639 123 A CB -0.791 18.211 19.000 0.003 0.000 0.820 123 A HN 0.203 nan 8.150 nan 0.000 0.451 124 V N -0.827 119.086 119.914 -0.002 0.000 2.270 124 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 124 V C 2.696 178.786 176.094 -0.007 0.000 1.043 124 V CA 2.417 64.714 62.300 -0.005 0.000 1.014 124 V CB -1.375 30.442 31.823 -0.010 0.000 0.645 124 V HN 0.594 nan 8.190 nan 0.000 0.447 125 T N 0.528 115.076 114.554 -0.010 0.000 2.685 125 T HA -0.286 4.063 4.350 -0.000 0.000 0.268 125 T C 1.967 176.664 174.700 -0.005 0.000 1.034 125 T CA 2.005 64.099 62.100 -0.010 0.000 1.149 125 T CB -0.440 68.422 68.868 -0.010 0.000 0.860 125 T HN 0.592 nan 8.240 nan 0.000 0.449 126 A N 1.031 123.850 122.820 -0.002 0.000 1.872 126 A HA 0.299 4.619 4.320 -0.000 0.000 0.214 126 A C 2.643 180.229 177.584 0.003 0.000 1.187 126 A CA 1.650 53.688 52.037 0.001 0.000 0.614 126 A CB -1.060 17.941 19.000 0.002 0.000 0.826 126 A HN 0.507 nan 8.150 nan 0.000 0.442 127 A N -0.441 122.381 122.820 0.004 0.000 1.930 127 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 127 A C 2.199 179.787 177.584 0.007 0.000 1.175 127 A CA 1.673 53.714 52.037 0.007 0.000 0.627 127 A CB -0.950 18.055 19.000 0.009 0.000 0.815 127 A HN 0.371 nan 8.150 nan 0.000 0.443 128 V N -0.027 119.889 119.914 0.003 0.000 2.282 128 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 128 V C 2.575 178.672 176.094 0.004 0.000 1.057 128 V CA 2.527 64.828 62.300 0.002 0.000 1.032 128 V CB -0.818 31.001 31.823 -0.006 0.000 0.645 128 V HN 0.601 nan 8.190 nan 0.000 0.447 129 E N 0.116 120.318 120.200 0.003 0.000 2.038 129 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 129 E C 2.327 178.931 176.600 0.008 0.000 1.000 129 E CA 1.469 57.871 56.400 0.005 0.000 0.803 129 E CB -0.312 29.390 29.700 0.003 0.000 0.750 129 E HN 0.544 nan 8.360 nan 0.000 0.448 130 E N -0.167 120.038 120.200 0.009 0.000 2.097 130 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 130 E C 2.093 178.702 176.600 0.014 0.000 1.000 130 E CA 0.751 57.158 56.400 0.011 0.000 0.804 130 E CB -0.279 29.429 29.700 0.012 0.000 0.740 130 E HN 0.180 nan 8.360 nan 0.000 0.454 131 L N 1.629 122.861 121.223 0.014 0.000 2.042 131 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 131 L C 2.168 179.048 176.870 0.015 0.000 1.076 131 L CA 1.742 56.592 54.840 0.016 0.000 0.749 131 L CB -0.485 41.583 42.059 0.015 0.000 0.893 131 L HN 0.039 nan 8.230 nan 0.000 0.432 132 K N -1.112 119.296 120.400 0.013 0.000 2.209 132 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 132 K C 1.988 178.596 176.600 0.013 0.000 1.048 132 K CA 1.238 57.532 56.287 0.012 0.000 0.940 132 K CB -0.261 32.245 32.500 0.010 0.000 0.729 132 K HN 0.364 nan 8.250 nan 0.000 0.451 133 A N 1.333 124.161 122.820 0.013 0.000 1.898 133 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 133 A C 2.080 179.674 177.584 0.016 0.000 1.183 133 A CA 0.642 52.687 52.037 0.013 0.000 0.622 133 A CB -0.347 18.660 19.000 0.012 0.000 0.824 133 A HN 0.185 nan 8.150 nan 0.000 0.444 134 L N 0.111 121.345 121.223 0.019 0.000 2.141 134 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 134 L C 1.411 178.295 176.870 0.023 0.000 1.094 134 L CA 1.081 55.935 54.840 0.023 0.000 0.763 134 L CB -0.527 41.548 42.059 0.027 0.000 0.908 134 L HN 0.250 nan 8.230 nan 0.000 0.437 135 S N -0.728 114.984 115.700 0.020 0.000 2.563 135 S HA 0.095 4.565 4.470 -0.000 0.000 0.294 135 S C -0.193 174.418 174.600 0.018 0.000 1.279 135 S CA -0.381 57.830 58.200 0.019 0.000 1.069 135 S CB 0.067 63.277 63.200 0.017 0.000 0.828 135 S HN 0.077 nan 8.310 nan 0.000 0.497 136 V N 8.937 128.862 119.914 0.018 0.000 2.398 136 V HA 0.373 4.493 4.120 -0.000 0.000 0.286 136 V C -1.968 174.135 176.094 0.015 0.000 1.026 136 V CA -1.846 60.464 62.300 0.017 0.000 0.868 136 V CB 1.356 33.190 31.823 0.018 0.000 0.982 136 V HN 0.747 nan 8.190 nan 0.000 0.443 137 P HA 0.125 nan 4.420 nan 0.000 0.271 137 P C -0.698 176.609 177.300 0.013 0.000 1.233 137 P CA -0.204 62.904 63.100 0.013 0.000 0.789 137 P CB 0.408 32.115 31.700 0.012 0.000 0.951 138 C N 1.641 120.949 119.300 0.012 0.000 2.547 138 C HA 0.594 5.054 4.460 -0.000 0.000 0.327 138 C C 1.096 176.093 174.990 0.011 0.000 1.076 138 C CA 0.320 59.345 59.018 0.012 0.000 1.390 138 C CB -0.584 27.163 27.740 0.013 0.000 1.918 138 C HN 0.633 nan 8.230 nan 0.000 0.438 139 S N 2.945 118.650 115.700 0.009 0.000 3.186 139 S HA 0.212 4.682 4.470 -0.000 0.000 0.253 139 S C 0.309 174.913 174.600 0.007 0.000 1.071 139 S CA 0.582 58.787 58.200 0.008 0.000 0.796 139 S CB -0.126 63.078 63.200 0.008 0.000 0.818 139 S HN 0.941 nan 8.310 nan 0.000 0.498 140 D N 1.198 121.601 120.400 0.006 0.000 2.358 140 D HA 0.355 4.995 4.640 -0.000 0.000 0.244 140 D C 1.027 177.329 176.300 0.004 0.000 1.163 140 D CA -0.074 53.929 54.000 0.005 0.000 0.945 140 D CB 0.413 41.216 40.800 0.005 0.000 1.152 140 D HN 0.074 nan 8.370 nan 0.000 0.451 141 S N -0.408 115.293 115.700 0.003 0.000 2.387 141 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 141 S C 1.571 176.172 174.600 0.002 0.000 1.035 141 S CA 1.654 59.855 58.200 0.002 0.000 1.014 141 S CB -0.349 62.852 63.200 0.001 0.000 0.836 141 S HN 0.638 nan 8.310 nan 0.000 0.466 142 K N 0.900 121.301 120.400 0.003 0.000 2.009 142 K HA -0.130 4.190 4.320 -0.000 0.000 0.210 142 K C 2.157 178.759 176.600 0.004 0.000 1.049 142 K CA 1.443 57.732 56.287 0.003 0.000 0.929 142 K CB -0.391 32.111 32.500 0.004 0.000 0.714 142 K HN 0.319 nan 8.250 nan 0.000 0.440 143 A N 1.185 124.008 122.820 0.005 0.000 1.930 143 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 143 A C 2.008 179.596 177.584 0.006 0.000 1.175 143 A CA 1.095 53.135 52.037 0.006 0.000 0.627 143 A CB -0.431 18.574 19.000 0.008 0.000 0.815 143 A HN 0.286 nan 8.150 nan 0.000 0.443 144 I N 0.318 120.891 120.570 0.006 0.000 2.099 144 I HA -0.278 3.891 4.170 -0.000 0.000 0.239 144 I C 2.972 179.091 176.117 0.004 0.000 1.066 144 I CA 1.630 62.933 61.300 0.005 0.000 1.324 144 I CB -1.711 36.291 38.000 0.004 0.000 1.037 144 I HN 0.356 nan 8.210 nan 0.000 0.401 145 A N -0.089 122.733 122.820 0.003 0.000 1.940 145 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 145 A C 2.267 179.852 177.584 0.002 0.000 1.176 145 A CA 2.033 54.070 52.037 0.001 0.000 0.631 145 A CB -0.694 18.306 19.000 0.000 0.000 0.814 145 A HN 0.510 nan 8.150 nan 0.000 0.446 146 Q N 0.082 119.883 119.800 0.003 0.000 1.927 146 Q HA -0.183 4.156 4.340 -0.000 0.000 0.210 146 Q C 2.104 178.106 176.000 0.004 0.000 1.001 146 Q CA 3.190 58.995 55.803 0.003 0.000 0.862 146 Q CB -0.775 27.966 28.738 0.005 0.000 0.934 146 Q HN 0.711 nan 8.270 nan 0.000 0.420 147 V N -0.267 119.651 119.914 0.006 0.000 2.490 147 V HA -0.091 4.029 4.120 -0.000 0.000 0.250 147 V C 1.878 177.976 176.094 0.008 0.000 1.061 147 V CA 2.543 64.847 62.300 0.008 0.000 1.064 147 V CB -1.386 30.444 31.823 0.011 0.000 0.670 147 V HN 0.502 nan 8.190 nan 0.000 0.461 148 G N 0.826 109.630 108.800 0.007 0.000 2.480 148 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.216 148 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.216 148 G C 1.799 176.701 174.900 0.004 0.000 1.200 148 G CA 2.438 47.542 45.100 0.006 0.000 0.782 148 G HN 0.754 nan 8.290 nan 0.000 0.554 149 T N 0.196 114.751 114.554 0.001 0.000 2.720 149 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 149 T C 2.419 177.118 174.700 -0.002 0.000 1.037 149 T CA 1.450 63.549 62.100 -0.001 0.000 1.144 149 T CB -0.359 68.507 68.868 -0.002 0.000 0.864 149 T HN 0.258 nan 8.240 nan 0.000 0.444 150 I N 1.593 122.162 120.570 -0.001 0.000 2.226 150 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 150 I C 3.012 179.128 176.117 -0.002 0.000 1.100 150 I CA 1.424 62.721 61.300 -0.004 0.000 1.374 150 I CB -0.533 37.465 38.000 -0.004 0.000 1.057 150 I HN 0.303 nan 8.210 nan 0.000 0.413 151 S N 0.334 116.036 115.700 0.003 0.000 2.474 151 S HA 0.040 4.509 4.470 -0.000 0.000 0.235 151 S C 1.710 176.314 174.600 0.007 0.000 0.997 151 S CA 0.970 59.174 58.200 0.007 0.000 0.949 151 S CB -0.129 63.081 63.200 0.016 0.000 0.766 151 S HN 0.445 nan 8.310 nan 0.000 0.517 152 A N 1.234 124.056 122.820 0.003 0.000 2.460 152 A HA 0.397 4.716 4.320 -0.000 0.000 0.258 152 A C 0.514 178.096 177.584 -0.002 0.000 1.300 152 A CA -0.194 51.845 52.037 0.002 0.000 0.913 152 A CB -0.626 18.374 19.000 0.001 0.000 1.031 152 A HN 0.685 nan 8.150 nan 0.000 0.512 153 N N 0.155 118.852 118.700 -0.005 0.000 2.688 153 N HA -0.208 4.532 4.740 -0.000 0.000 0.261 153 N C 0.248 175.752 175.510 -0.010 0.000 1.116 153 N CA 0.493 53.538 53.050 -0.009 0.000 0.689 153 N CB -1.021 37.461 38.487 -0.009 0.000 0.882 153 N HN 0.395 nan 8.380 nan 0.000 0.554 154 S N -1.050 114.644 115.700 -0.010 0.000 3.011 154 S HA -0.242 4.227 4.470 -0.000 0.000 0.278 154 S C -0.045 174.550 174.600 -0.008 0.000 1.300 154 S CA 1.428 59.622 58.200 -0.010 0.000 1.248 154 S CB -0.690 62.503 63.200 -0.013 0.000 1.517 154 S HN 0.798 nan 8.310 nan 0.000 0.685 155 D N 1.665 122.061 120.400 -0.007 0.000 2.348 155 D HA 0.193 4.833 4.640 -0.000 0.000 0.259 155 D C 1.016 177.313 176.300 -0.005 0.000 1.296 155 D CA 0.189 54.186 54.000 -0.006 0.000 0.931 155 D CB 0.392 41.188 40.800 -0.006 0.000 1.067 155 D HN 0.484 nan 8.370 nan 0.000 0.503 156 E N 1.042 121.239 120.200 -0.005 0.000 2.204 156 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 156 E C 1.756 178.353 176.600 -0.004 0.000 0.990 156 E CA 1.184 57.581 56.400 -0.004 0.000 0.821 156 E CB 0.305 30.003 29.700 -0.004 0.000 0.750 156 E HN 0.619 nan 8.360 nan 0.000 0.477 157 T N -2.077 112.474 114.554 -0.005 0.000 2.951 157 T HA -0.054 4.295 4.350 -0.000 0.000 0.268 157 T C 1.954 176.650 174.700 -0.006 0.000 1.073 157 T CA 0.774 62.870 62.100 -0.005 0.000 1.134 157 T CB -0.183 68.681 68.868 -0.006 0.000 0.884 157 T HN -0.053 nan 8.240 nan 0.000 0.479 158 V N 1.802 121.713 119.914 -0.005 0.000 2.379 158 V HA 0.095 4.215 4.120 -0.000 0.000 0.245 158 V C 3.136 179.227 176.094 -0.005 0.000 1.044 158 V CA 1.593 63.889 62.300 -0.006 0.000 1.036 158 V CB -1.515 30.305 31.823 -0.005 0.000 0.664 158 V HN 0.637 nan 8.190 nan 0.000 0.453 159 G N -0.186 108.612 108.800 -0.003 0.000 2.440 159 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 159 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 159 G C 1.634 176.532 174.900 -0.003 0.000 1.154 159 G CA 1.218 46.317 45.100 -0.002 0.000 0.767 159 G HN 0.473 nan 8.290 nan 0.000 0.552 160 K N -0.452 119.946 120.400 -0.004 0.000 2.001 160 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 160 K C 2.520 179.117 176.600 -0.006 0.000 1.050 160 K CA 1.290 57.575 56.287 -0.004 0.000 0.934 160 K CB -0.308 32.189 32.500 -0.005 0.000 0.718 160 K HN 0.227 nan 8.250 nan 0.000 0.443 161 L N 1.088 122.307 121.223 -0.007 0.000 2.083 161 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 161 L C 2.151 179.015 176.870 -0.011 0.000 1.083 161 L CA 1.407 56.241 54.840 -0.010 0.000 0.752 161 L CB -0.290 41.763 42.059 -0.011 0.000 0.899 161 L HN 0.257 nan 8.230 nan 0.000 0.433 162 I N -1.248 119.316 120.570 -0.010 0.000 2.163 162 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 162 I C 2.593 178.705 176.117 -0.008 0.000 1.081 162 I CA 1.179 62.472 61.300 -0.011 0.000 1.353 162 I CB -0.569 37.425 38.000 -0.009 0.000 1.054 162 I HN 0.206 nan 8.210 nan 0.000 0.407 163 A N 0.165 122.982 122.820 -0.005 0.000 1.948 163 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 163 A C 2.248 179.830 177.584 -0.005 0.000 1.177 163 A CA 2.016 54.050 52.037 -0.004 0.000 0.636 163 A CB -0.651 18.347 19.000 -0.002 0.000 0.815 163 A HN 0.475 nan 8.150 nan 0.000 0.449 164 E N -0.685 119.512 120.200 -0.006 0.000 2.072 164 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 164 E C 2.391 178.986 176.600 -0.008 0.000 0.982 164 E CA 0.747 57.143 56.400 -0.007 0.000 0.803 164 E CB -0.236 29.460 29.700 -0.007 0.000 0.755 164 E HN 0.619 nan 8.360 nan 0.000 0.453 165 A N 1.276 124.090 122.820 -0.010 0.000 1.865 165 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 165 A C 2.189 179.767 177.584 -0.011 0.000 1.191 165 A CA 1.654 53.684 52.037 -0.013 0.000 0.623 165 A CB -0.560 18.430 19.000 -0.017 0.000 0.826 165 A HN 0.160 nan 8.150 nan 0.000 0.444 166 M N -1.041 118.553 119.600 -0.009 0.000 2.149 166 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 166 M C 1.710 178.007 176.300 -0.005 0.000 1.064 166 M CA 2.003 57.299 55.300 -0.007 0.000 1.102 166 M CB -0.754 31.843 32.600 -0.004 0.000 1.369 166 M HN 0.421 nan 8.290 nan 0.000 0.408 167 D N 0.424 120.821 120.400 -0.005 0.000 2.309 167 D HA -0.093 4.547 4.640 -0.000 0.000 0.212 167 D C 1.949 178.246 176.300 -0.005 0.000 0.968 167 D CA 0.972 54.970 54.000 -0.004 0.000 0.882 167 D CB 0.294 41.092 40.800 -0.004 0.000 0.918 167 D HN 0.236 nan 8.370 nan 0.000 0.503 168 K N -0.962 119.434 120.400 -0.006 0.000 2.262 168 K HA 0.122 4.441 4.320 -0.000 0.000 0.200 168 K C 1.257 177.853 176.600 -0.007 0.000 1.058 168 K CA 0.246 56.529 56.287 -0.007 0.000 0.974 168 K CB 0.664 33.159 32.500 -0.008 0.000 0.910 168 K HN 0.004 nan 8.250 nan 0.000 0.484 169 V N 0.321 120.231 119.914 -0.007 0.000 3.528 169 V HA 0.260 4.380 4.120 -0.000 0.000 0.294 169 V C -0.091 176.000 176.094 -0.006 0.000 1.404 169 V CA 0.741 63.036 62.300 -0.007 0.000 1.065 169 V CB 0.464 32.281 31.823 -0.010 0.000 0.904 169 V HN 0.551 nan 8.190 nan 0.000 0.435 170 G N 0.623 109.420 108.800 -0.005 0.000 2.555 170 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.686 170 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.686 170 G C -0.064 174.835 174.900 -0.002 0.000 1.275 170 G CA -0.045 45.053 45.100 -0.003 0.000 0.871 170 G HN 0.240 nan 8.290 nan 0.000 0.603 171 K N -0.142 120.258 120.400 0.000 0.000 2.283 171 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 171 K C 2.098 178.699 176.600 0.002 0.000 1.048 171 K CA 1.777 58.066 56.287 0.002 0.000 0.948 171 K CB 0.064 32.567 32.500 0.005 0.000 0.742 171 K HN 0.412 nan 8.250 nan 0.000 0.458 172 E N 0.125 120.327 120.200 0.002 0.000 2.166 172 E HA 0.065 4.415 4.350 -0.000 0.000 0.192 172 E C 0.709 177.308 176.600 -0.001 0.000 0.967 172 E CA 0.269 56.671 56.400 0.003 0.000 0.840 172 E CB -0.075 29.628 29.700 0.005 0.000 0.795 172 E HN 0.288 nan 8.360 nan 0.000 0.470 173 G N 0.644 109.442 108.800 -0.003 0.000 2.568 173 G HA2 0.054 4.014 3.960 -0.000 0.000 0.231 173 G HA3 0.054 4.014 3.960 -0.000 0.000 0.231 173 G C -0.083 174.809 174.900 -0.013 0.000 1.261 173 G CA -0.328 44.768 45.100 -0.007 0.000 0.855 173 G HN 0.048 nan 8.290 nan 0.000 0.576 174 V N 2.807 122.711 119.914 -0.017 0.000 2.439 174 V HA 0.212 4.332 4.120 -0.000 0.000 0.271 174 V C 0.415 176.489 176.094 -0.033 0.000 1.040 174 V CA 0.117 62.401 62.300 -0.028 0.000 1.002 174 V CB 0.425 32.229 31.823 -0.031 0.000 1.000 174 V HN 0.473 nan 8.190 nan 0.000 0.477 175 I N 5.325 125.871 120.570 -0.040 0.000 2.382 175 I HA 0.490 4.660 4.170 -0.000 0.000 0.286 175 I C 0.500 176.582 176.117 -0.057 0.000 1.002 175 I CA -0.059 61.215 61.300 -0.044 0.000 1.135 175 I CB 1.902 39.879 38.000 -0.040 0.000 1.288 175 I HN 0.717 nan 8.210 nan 0.000 0.448 176 T N 2.681 117.204 114.554 -0.052 0.000 2.949 176 T HA 0.816 5.165 4.350 -0.000 0.000 0.287 176 T C -0.408 174.262 174.700 -0.049 0.000 1.034 176 T CA -0.868 61.198 62.100 -0.057 0.000 1.018 176 T CB 2.042 70.877 68.868 -0.054 0.000 1.135 176 T HN 0.166 nan 8.240 nan 0.000 0.532 177 V N 1.124 121.009 119.914 -0.049 0.000 2.540 177 V HA 0.556 4.675 4.120 -0.000 0.000 0.302 177 V C -0.251 175.824 176.094 -0.032 0.000 1.035 177 V CA -0.759 61.517 62.300 -0.039 0.000 0.873 177 V CB 1.376 33.175 31.823 -0.041 0.000 0.992 177 V HN 0.976 nan 8.190 nan 0.000 0.428 178 E N 1.548 121.732 120.200 -0.027 0.000 2.320 178 E HA 0.439 4.788 4.350 -0.000 0.000 0.264 178 E C -1.374 175.215 176.600 -0.020 0.000 0.923 178 E CA -1.006 55.380 56.400 -0.024 0.000 0.796 178 E CB 1.754 31.439 29.700 -0.024 0.000 1.262 178 E HN 0.669 nan 8.360 nan 0.000 0.428 179 D N 0.496 120.886 120.400 -0.017 0.000 2.455 179 D HA 0.208 4.848 4.640 -0.000 0.000 0.241 179 D C -0.103 176.188 176.300 -0.014 0.000 1.138 179 D CA 0.466 54.458 54.000 -0.014 0.000 0.877 179 D CB 0.817 41.609 40.800 -0.013 0.000 1.187 179 D HN 0.427 nan 8.370 nan 0.000 0.451 180 G N 0.082 108.874 108.800 -0.013 0.000 2.444 180 G HA2 0.334 4.294 3.960 -0.000 0.000 0.268 180 G HA3 0.334 4.294 3.960 -0.000 0.000 0.268 180 G C 1.036 175.929 174.900 -0.011 0.000 1.203 180 G CA -0.375 44.718 45.100 -0.012 0.000 0.835 180 G HN 0.500 nan 8.290 nan 0.000 0.543 181 T N -0.511 114.037 114.554 -0.011 0.000 3.044 181 T HA 0.318 4.668 4.350 -0.000 0.000 0.255 181 T C 1.274 175.969 174.700 -0.009 0.000 1.073 181 T CA 0.784 62.877 62.100 -0.010 0.000 1.125 181 T CB 0.305 69.166 68.868 -0.011 0.000 0.908 181 T HN 0.719 nan 8.240 nan 0.000 0.480 182 G N 0.831 109.625 108.800 -0.009 0.000 3.212 182 G HA2 0.537 4.497 3.960 -0.000 0.000 0.188 182 G HA3 0.537 4.497 3.960 -0.000 0.000 0.188 182 G C 0.080 174.976 174.900 -0.008 0.000 1.254 182 G CA -0.325 44.771 45.100 -0.008 0.000 0.957 182 G HN 0.211 nan 8.290 nan 0.000 0.596 183 L N -0.764 120.455 121.223 -0.007 0.000 2.477 183 L HA 0.367 4.707 4.340 -0.000 0.000 0.220 183 L C 0.680 177.546 176.870 -0.007 0.000 1.106 183 L CA 0.506 55.342 54.840 -0.007 0.000 0.851 183 L CB -0.242 41.814 42.059 -0.006 0.000 0.994 183 L HN 0.229 nan 8.230 nan 0.000 0.462 184 Q N 1.451 121.247 119.800 -0.007 0.000 2.243 184 Q HA 0.182 4.522 4.340 -0.000 0.000 0.252 184 Q C -0.775 175.220 176.000 -0.009 0.000 0.909 184 Q CA -0.322 55.476 55.803 -0.008 0.000 0.922 184 Q CB 1.053 29.787 28.738 -0.007 0.000 1.215 184 Q HN 0.292 nan 8.270 nan 0.000 0.427 185 D N 2.054 122.449 120.400 -0.009 0.000 2.399 185 D HA 0.118 4.758 4.640 -0.000 0.000 0.241 185 D C -0.291 176.003 176.300 -0.010 0.000 1.133 185 D CA 0.484 54.478 54.000 -0.010 0.000 0.890 185 D CB 0.952 41.746 40.800 -0.010 0.000 1.201 185 D HN 0.364 nan 8.370 nan 0.000 0.432 186 E N 0.429 120.622 120.200 -0.012 0.000 2.293 186 E HA 0.516 4.866 4.350 -0.000 0.000 0.270 186 E C -0.873 175.719 176.600 -0.014 0.000 0.879 186 E CA -0.702 55.691 56.400 -0.012 0.000 0.756 186 E CB 2.607 32.300 29.700 -0.013 0.000 1.208 186 E HN 0.167 nan 8.360 nan 0.000 0.428 187 L N 2.994 124.209 121.223 -0.013 0.000 2.372 187 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 187 L C -1.595 175.267 176.870 -0.013 0.000 0.989 187 L CA -0.460 54.372 54.840 -0.014 0.000 0.841 187 L CB 0.918 42.969 42.059 -0.013 0.000 1.225 187 L HN 0.568 nan 8.230 nan 0.000 0.414 188 D N 4.061 124.452 120.400 -0.015 0.000 2.619 188 D HA 0.411 5.051 4.640 -0.000 0.000 0.241 188 D C -0.591 175.700 176.300 -0.015 0.000 1.087 188 D CA -0.203 53.788 54.000 -0.015 0.000 0.851 188 D CB 3.122 43.912 40.800 -0.015 0.000 1.474 188 D HN 0.284 nan 8.370 nan 0.000 0.478 189 V N -0.501 119.405 119.914 -0.014 0.000 2.481 189 V HA 0.763 4.883 4.120 -0.000 0.000 0.286 189 V C -0.018 176.068 176.094 -0.013 0.000 1.042 189 V CA -0.575 61.717 62.300 -0.013 0.000 0.928 189 V CB 1.561 33.377 31.823 -0.011 0.000 0.986 189 V HN 0.304 nan 8.190 nan 0.000 0.462 190 V N 2.629 122.535 119.914 -0.014 0.000 2.932 190 V HA 0.456 4.576 4.120 -0.000 0.000 0.307 190 V C -0.328 175.758 176.094 -0.012 0.000 1.147 190 V CA -0.537 61.755 62.300 -0.014 0.000 0.951 190 V CB 2.207 34.020 31.823 -0.017 0.000 1.031 190 V HN 1.078 nan 8.190 nan 0.000 0.426 191 E N 3.320 123.515 120.200 -0.010 0.000 2.765 191 E HA 0.373 4.722 4.350 -0.000 0.000 0.256 191 E C 0.343 176.940 176.600 -0.005 0.000 0.935 191 E CA 1.252 57.649 56.400 -0.006 0.000 0.954 191 E CB 0.595 30.292 29.700 -0.005 0.000 0.908 191 E HN 1.097 nan 8.360 nan 0.000 0.500 192 G N 1.369 110.169 108.800 -0.000 0.000 0.000 192 G HA2 0.528 4.487 3.960 -0.000 0.000 0.000 192 G HA3 0.528 4.487 3.960 -0.000 0.000 0.000 192 G C -1.159 173.749 174.900 0.013 0.000 0.000 192 G CA -0.399 44.702 45.100 0.002 0.000 0.000 192 G HN 0.440 nan 8.290 nan 0.000 0.000 193 M N -0.208 119.398 119.600 0.010 0.000 2.958 193 M HA 0.466 4.946 4.480 -0.000 0.000 0.265 193 M C -2.456 173.837 176.300 -0.011 0.000 0.976 193 M CA -0.564 54.756 55.300 0.033 0.000 0.792 193 M CB 2.078 34.736 32.600 0.097 0.000 1.668 193 M HN 0.878 nan 8.290 nan 0.000 0.559 194 Q N 3.269 123.065 119.800 -0.007 0.000 2.331 194 Q HA 0.742 5.082 4.340 -0.000 0.000 0.272 194 Q C -2.241 173.754 176.000 -0.009 0.000 1.062 194 Q CA -0.655 55.077 55.803 -0.118 0.000 0.806 194 Q CB 2.279 30.957 28.738 -0.100 0.000 1.312 194 Q HN 0.560 nan 8.270 nan 0.000 0.431 195 F N -0.123 119.828 119.950 0.001 0.000 2.578 195 F HA 0.483 5.010 4.527 -0.001 0.000 0.311 195 F C -0.686 175.118 175.800 0.007 0.000 1.094 195 F CA -1.283 56.720 58.000 0.005 0.000 0.923 195 F CB 1.124 40.129 39.000 0.008 0.000 1.230 195 F HN 0.326 nan 8.300 nan 0.000 0.450 196 D N 2.826 123.365 120.400 0.232 0.000 2.597 196 D HA 0.197 4.837 4.640 -0.000 0.000 0.228 196 D C -0.392 176.016 176.300 0.181 0.000 1.120 196 D CA 0.591 54.673 54.000 0.137 0.000 1.083 196 D CB -0.226 40.633 40.800 0.099 0.000 1.116 196 D HN 0.449 nan 8.370 nan 0.000 0.487 197 R N -0.206 120.411 120.500 0.195 0.000 2.548 197 R HA 0.584 4.923 4.340 -0.000 0.000 0.280 197 R C -0.032 176.311 176.300 0.072 0.000 1.061 197 R CA -0.609 55.604 56.100 0.189 0.000 0.915 197 R CB 1.831 32.353 30.300 0.370 0.000 1.210 197 R HN 0.230 nan 8.270 nan 0.000 0.442 198 G N 1.292 110.091 108.800 -0.002 0.000 2.552 198 G HA2 0.376 4.336 3.960 -0.000 0.000 0.324 198 G HA3 0.376 4.336 3.960 -0.000 0.000 0.324 198 G C -0.954 173.919 174.900 -0.044 0.000 1.217 198 G CA -0.642 44.381 45.100 -0.128 0.000 0.989 198 G HN 0.527 nan 8.290 nan 0.000 0.490 199 Y N -1.083 119.286 120.300 0.116 0.000 2.683 199 Y HA 0.298 4.848 4.550 -0.000 0.000 0.340 199 Y C 1.047 177.076 175.900 0.216 0.000 1.245 199 Y CA -0.989 57.228 58.100 0.195 0.000 1.485 199 Y CB 0.362 38.984 38.460 0.270 0.000 1.328 199 Y HN 0.161 nan 8.280 nan 0.000 0.603 200 L N 1.561 123.114 121.223 0.550 0.000 2.554 200 L HA 0.158 4.498 4.340 -0.000 0.000 0.226 200 L C 0.616 177.695 176.870 0.348 0.000 1.137 200 L CA 0.958 56.036 54.840 0.396 0.000 0.863 200 L CB -0.091 42.176 42.059 0.347 0.000 0.985 200 L HN 0.757 nan 8.230 nan 0.000 0.451 201 S N -2.096 113.828 115.700 0.374 0.000 2.566 201 S HA 0.365 4.834 4.470 -0.000 0.000 0.273 201 S C -2.239 172.185 174.600 -0.293 0.000 1.157 201 S CA -0.917 57.255 58.200 -0.045 0.000 0.938 201 S CB 1.505 64.408 63.200 -0.494 0.000 1.087 201 S HN -0.249 nan 8.310 nan 0.000 0.474 202 P HA -0.029 nan 4.420 nan 0.000 0.220 202 P C 0.375 177.337 177.300 -0.564 0.000 1.148 202 P CA 1.022 63.760 63.100 -0.603 0.000 0.803 202 P CB -0.083 31.383 31.700 -0.391 0.000 0.782 203 Y N -2.815 117.239 120.300 -0.409 0.000 2.632 203 Y HA -0.025 4.524 4.550 -0.000 0.000 0.301 203 Y C 1.587 177.324 175.900 -0.272 0.000 1.172 203 Y CA 0.397 58.303 58.100 -0.324 0.000 1.328 203 Y CB -0.954 37.316 38.460 -0.316 0.000 1.016 203 Y HN -0.070 nan 8.280 nan 0.000 0.529 204 F N -0.448 119.440 119.950 -0.102 0.000 2.569 204 F HA 0.094 4.621 4.527 -0.001 0.000 0.295 204 F C 1.064 176.787 175.800 -0.128 0.000 1.115 204 F CA -0.721 57.222 58.000 -0.094 0.000 1.450 204 F CB -0.584 38.361 39.000 -0.091 0.000 1.107 204 F HN -0.164 nan 8.300 nan 0.000 0.563 205 I N 2.977 123.506 120.570 -0.067 0.000 2.828 205 I HA -0.188 3.982 4.170 -0.000 0.000 0.292 205 I C 1.080 177.189 176.117 -0.014 0.000 1.206 205 I CA 0.388 61.643 61.300 -0.075 0.000 1.420 205 I CB 0.223 38.128 38.000 -0.158 0.000 1.368 205 I HN 0.206 nan 8.210 nan 0.000 0.556 206 N N 6.016 124.721 118.700 0.009 0.000 2.184 206 N HA 0.024 4.763 4.740 -0.000 0.000 0.206 206 N C -0.197 175.315 175.510 0.003 0.000 1.151 206 N CA -0.060 52.997 53.050 0.012 0.000 0.878 206 N CB 0.592 39.093 38.487 0.024 0.000 1.014 206 N HN 0.393 nan 8.380 nan 0.000 0.512 207 K N 1.813 122.214 120.400 0.001 0.000 2.624 207 K HA 0.291 4.611 4.320 -0.000 0.000 0.200 207 K C -1.977 174.621 176.600 -0.003 0.000 1.036 207 K CA -1.464 54.823 56.287 0.001 0.000 1.029 207 K CB 2.364 34.868 32.500 0.007 0.000 1.317 207 K HN -0.049 nan 8.250 nan 0.000 0.555 208 P HA -0.195 nan 4.420 nan 0.000 0.217 208 P C 0.840 178.134 177.300 -0.009 0.000 1.148 208 P CA 1.228 64.316 63.100 -0.020 0.000 0.828 208 P CB 0.506 32.192 31.700 -0.023 0.000 0.783 209 E N -0.744 119.454 120.200 -0.002 0.000 2.268 209 E HA -0.055 4.294 4.350 -0.000 0.000 0.195 209 E C 1.467 178.074 176.600 0.012 0.000 0.995 209 E CA 1.201 57.603 56.400 0.003 0.000 0.836 209 E CB -0.493 29.209 29.700 0.003 0.000 0.763 209 E HN 0.339 nan 8.360 nan 0.000 0.491 210 T N -1.128 113.437 114.554 0.018 0.000 3.022 210 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 210 T C 1.098 175.826 174.700 0.047 0.000 1.060 210 T CA 0.465 62.584 62.100 0.033 0.000 1.013 210 T CB 0.596 69.483 68.868 0.031 0.000 0.982 210 T HN 0.275 nan 8.240 nan 0.000 0.508 211 G N 1.871 110.694 108.800 0.038 0.000 2.338 211 G HA2 0.058 4.017 3.960 -0.000 0.000 0.296 211 G HA3 0.058 4.017 3.960 -0.000 0.000 0.296 211 G C 0.033 175.005 174.900 0.120 0.000 1.040 211 G CA 0.109 45.245 45.100 0.060 0.000 1.004 211 G HN 0.952 nan 8.290 nan 0.000 0.509 212 A N -1.295 121.574 122.820 0.081 0.000 2.566 212 A HA 0.886 5.205 4.320 -0.000 0.000 0.292 212 A C -0.514 177.111 177.584 0.068 0.000 1.112 212 A CA -0.343 51.759 52.037 0.108 0.000 0.707 212 A CB 2.084 21.128 19.000 0.074 0.000 1.302 212 A HN 1.275 nan 8.150 nan 0.000 0.409 213 V N 1.566 121.534 119.914 0.089 0.000 2.334 213 V HA 0.390 4.510 4.120 -0.000 0.000 0.281 213 V C -0.343 175.769 176.094 0.030 0.000 1.016 213 V CA -0.253 62.082 62.300 0.058 0.000 0.832 213 V CB 1.011 32.882 31.823 0.080 0.000 0.999 213 V HN 0.864 nan 8.190 nan 0.000 0.439 214 E N 5.435 125.643 120.200 0.015 0.000 2.114 214 E HA 0.553 4.903 4.350 -0.000 0.000 0.266 214 E C -1.237 175.360 176.600 -0.005 0.000 0.896 214 E CA -0.448 55.952 56.400 0.000 0.000 0.750 214 E CB 1.968 31.667 29.700 -0.002 0.000 1.121 214 E HN 0.547 nan 8.360 nan 0.000 0.413 215 L N 3.140 124.356 121.223 -0.013 0.000 2.313 215 L HA 0.316 4.656 4.340 -0.000 0.000 0.283 215 L C 0.149 177.005 176.870 -0.022 0.000 1.013 215 L CA -0.816 54.016 54.840 -0.015 0.000 0.816 215 L CB 1.449 43.497 42.059 -0.019 0.000 1.236 215 L HN 0.326 nan 8.230 nan 0.000 0.419 216 E N 2.387 122.575 120.200 -0.020 0.000 2.152 216 E HA 0.080 4.430 4.350 -0.000 0.000 0.285 216 E C 0.402 176.974 176.600 -0.047 0.000 1.043 216 E CA -0.053 56.329 56.400 -0.029 0.000 0.839 216 E CB 1.247 30.934 29.700 -0.021 0.000 1.069 216 E HN 0.698 nan 8.360 nan 0.000 0.399 217 S N 2.391 118.051 115.700 -0.067 0.000 3.280 217 S HA -0.150 4.319 4.470 -0.000 0.000 0.349 217 S C -2.336 172.166 174.600 -0.163 0.000 0.936 217 S CA -0.186 57.947 58.200 -0.111 0.000 1.301 217 S CB -1.587 61.543 63.200 -0.118 0.000 0.907 217 S HN 0.248 nan 8.310 nan 0.000 0.516 218 P HA 0.621 nan 4.420 nan 0.000 0.281 218 P C 0.150 177.356 177.300 -0.157 0.000 1.264 218 P CA -0.943 62.107 63.100 -0.085 0.000 0.824 218 P CB 0.355 32.053 31.700 -0.003 0.000 1.092 219 F N 0.006 119.951 119.950 -0.007 0.000 2.410 219 F HA 0.334 4.861 4.527 -0.000 0.000 0.334 219 F C 0.855 176.653 175.800 -0.004 0.000 1.134 219 F CA 0.194 58.192 58.000 -0.004 0.000 1.227 219 F CB 0.137 39.135 39.000 -0.004 0.000 1.194 219 F HN 0.015 nan 8.300 nan 0.000 0.571 220 I N 3.721 124.400 120.570 0.183 0.000 2.418 220 I HA 0.211 4.380 4.170 -0.000 0.000 0.287 220 I C -0.997 175.178 176.117 0.097 0.000 1.008 220 I CA -0.505 60.860 61.300 0.109 0.000 1.104 220 I CB 1.557 39.603 38.000 0.076 0.000 1.264 220 I HN 0.325 nan 8.210 nan 0.000 0.438 221 L N 7.687 128.953 121.223 0.071 0.000 2.290 221 L HA 0.451 4.790 4.340 -0.000 0.000 0.284 221 L C -0.770 176.122 176.870 0.038 0.000 1.078 221 L CA -0.257 54.611 54.840 0.047 0.000 0.815 221 L CB 1.053 43.130 42.059 0.030 0.000 1.162 221 L HN 0.657 nan 8.230 nan 0.000 0.435 222 L N 6.307 127.548 121.223 0.029 0.000 2.709 222 L HA 0.395 4.735 4.340 -0.000 0.000 0.236 222 L C 0.614 177.489 176.870 0.008 0.000 1.266 222 L CA -0.222 54.629 54.840 0.017 0.000 0.987 222 L CB 0.937 43.005 42.059 0.015 0.000 1.306 222 L HN 0.700 nan 8.230 nan 0.000 0.467 223 A N -0.110 122.716 122.820 0.009 0.000 2.296 223 A HA 0.272 4.592 4.320 -0.000 0.000 0.264 223 A C 0.502 178.086 177.584 0.000 0.000 1.097 223 A CA 0.041 52.082 52.037 0.006 0.000 0.811 223 A CB 0.618 19.625 19.000 0.011 0.000 1.072 223 A HN 0.566 nan 8.150 nan 0.000 0.495 224 D N -1.884 118.517 120.400 0.001 0.000 2.502 224 D HA 0.113 4.753 4.640 -0.000 0.000 0.232 224 D C 0.465 176.768 176.300 0.005 0.000 1.137 224 D CA 0.296 54.294 54.000 -0.002 0.000 0.827 224 D CB 0.130 40.927 40.800 -0.004 0.000 1.141 224 D HN 0.650 nan 8.370 nan 0.000 0.517 225 K N -0.183 120.222 120.400 0.009 0.000 2.240 225 K HA 0.493 4.813 4.320 -0.000 0.000 0.237 225 K C -0.521 176.090 176.600 0.018 0.000 1.027 225 K CA -0.860 55.434 56.287 0.013 0.000 0.937 225 K CB 0.975 33.482 32.500 0.012 0.000 1.171 225 K HN -0.338 nan 8.250 nan 0.000 0.479 226 K N 1.354 121.767 120.400 0.021 0.000 2.316 226 K HA 0.188 4.507 4.320 -0.000 0.000 0.289 226 K C -0.582 176.034 176.600 0.026 0.000 1.070 226 K CA -0.313 55.990 56.287 0.026 0.000 0.928 226 K CB 0.426 32.941 32.500 0.027 0.000 1.039 226 K HN 0.423 nan 8.250 nan 0.000 0.480 227 I N 3.729 124.318 120.570 0.031 0.000 2.389 227 I HA -0.035 4.135 4.170 -0.000 0.000 0.295 227 I C 1.223 177.361 176.117 0.034 0.000 1.117 227 I CA 0.464 61.782 61.300 0.031 0.000 1.317 227 I CB -0.235 37.786 38.000 0.035 0.000 1.431 227 I HN 0.700 nan 8.210 nan 0.000 0.521 228 S N 4.517 120.233 115.700 0.027 0.000 2.591 228 S HA 0.112 4.581 4.470 -0.000 0.000 0.235 228 S C 0.833 175.447 174.600 0.023 0.000 1.074 228 S CA -0.187 58.028 58.200 0.026 0.000 0.925 228 S CB 0.231 63.444 63.200 0.021 0.000 0.818 228 S HN 0.591 nan 8.310 nan 0.000 0.535 229 N N 1.310 120.021 118.700 0.018 0.000 2.498 229 N HA 0.347 5.087 4.740 -0.000 0.000 0.287 229 N C 0.409 175.929 175.510 0.016 0.000 1.097 229 N CA -0.397 52.661 53.050 0.015 0.000 0.973 229 N CB 1.111 39.605 38.487 0.010 0.000 1.153 229 N HN 0.304 nan 8.380 nan 0.000 0.472 230 I N 1.875 122.454 120.570 0.015 0.000 3.444 230 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 230 I C 2.246 178.369 176.117 0.009 0.000 1.302 230 I CA 0.301 61.610 61.300 0.015 0.000 1.368 230 I CB -0.308 37.700 38.000 0.014 0.000 1.048 230 I HN 0.512 nan 8.210 nan 0.000 0.487 231 R N 1.828 122.332 120.500 0.007 0.000 2.066 231 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 231 R C 1.967 178.268 176.300 0.001 0.000 1.131 231 R CA 1.535 57.636 56.100 0.003 0.000 0.955 231 R CB -0.065 30.236 30.300 0.002 0.000 0.851 231 R HN 0.297 nan 8.270 nan 0.000 0.432 232 E N 0.120 120.322 120.200 0.003 0.000 2.273 232 E HA -0.229 4.120 4.350 -0.000 0.000 0.198 232 E C 1.731 178.330 176.600 -0.002 0.000 1.002 232 E CA 1.622 58.022 56.400 0.001 0.000 0.828 232 E CB -0.083 29.620 29.700 0.005 0.000 0.747 232 E HN 0.259 nan 8.360 nan 0.000 0.491 233 M N -0.462 119.138 119.600 0.000 0.000 2.193 233 M HA -0.003 4.477 4.480 -0.000 0.000 0.265 233 M C 1.675 177.969 176.300 -0.011 0.000 1.071 233 M CA 1.083 56.381 55.300 -0.003 0.000 1.140 233 M CB -0.070 32.533 32.600 0.005 0.000 1.369 233 M HN 0.070 nan 8.290 nan 0.000 0.423 234 L N 0.145 121.363 121.223 -0.009 0.000 2.064 234 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 234 L C -0.550 176.307 176.870 -0.021 0.000 1.077 234 L CA 1.518 56.350 54.840 -0.013 0.000 0.766 234 L CB -2.695 39.358 42.059 -0.009 0.000 0.890 234 L HN 0.266 nan 8.230 nan 0.000 0.435 235 P HA -0.136 nan 4.420 nan 0.000 0.213 235 P C 1.850 179.121 177.300 -0.048 0.000 1.170 235 P CA 2.064 65.145 63.100 -0.032 0.000 0.893 235 P CB -0.245 31.438 31.700 -0.027 0.000 0.784 236 V N -2.507 117.378 119.914 -0.049 0.000 2.548 236 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 236 V C 2.515 178.562 176.094 -0.080 0.000 1.055 236 V CA 1.317 63.574 62.300 -0.073 0.000 1.065 236 V CB -1.932 29.856 31.823 -0.059 0.000 0.681 236 V HN -0.096 nan 8.190 nan 0.000 0.462 237 L N 0.467 121.661 121.223 -0.049 0.000 2.465 237 L HA 0.085 4.425 4.340 -0.000 0.000 0.224 237 L C 2.379 179.224 176.870 -0.041 0.000 1.145 237 L CA 1.840 56.658 54.840 -0.038 0.000 0.834 237 L CB -0.424 41.626 42.059 -0.015 0.000 0.944 237 L HN 0.545 nan 8.230 nan 0.000 0.451 238 E N -1.372 118.799 120.200 -0.048 0.000 2.364 238 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 238 E C 1.955 178.517 176.600 -0.062 0.000 0.990 238 E CA 0.644 57.018 56.400 -0.043 0.000 0.886 238 E CB 0.236 29.916 29.700 -0.033 0.000 0.866 238 E HN 0.510 nan 8.360 nan 0.000 0.493 239 A N 0.957 123.719 122.820 -0.096 0.000 1.903 239 A HA -0.047 4.273 4.320 -0.000 0.000 0.213 239 A C 2.176 179.646 177.584 -0.189 0.000 1.185 239 A CA 1.072 53.027 52.037 -0.137 0.000 0.628 239 A CB -0.470 18.428 19.000 -0.169 0.000 0.830 239 A HN 0.246 nan 8.150 nan 0.000 0.446 240 V N -3.202 116.584 119.914 -0.214 0.000 3.573 240 V HA 0.365 4.484 4.120 -0.000 0.000 0.270 240 V C 1.805 177.866 176.094 -0.054 0.000 1.221 240 V CA 1.178 63.356 62.300 -0.203 0.000 1.163 240 V CB -0.762 30.949 31.823 -0.187 0.000 0.847 240 V HN 0.446 nan 8.190 nan 0.000 0.468 241 A N 0.931 123.723 122.820 -0.047 0.000 1.887 241 A HA 0.155 4.474 4.320 -0.000 0.000 0.210 241 A C 2.200 179.780 177.584 -0.006 0.000 1.221 241 A CA 1.006 53.035 52.037 -0.013 0.000 0.635 241 A CB -0.270 18.722 19.000 -0.015 0.000 0.881 241 A HN 0.470 nan 8.150 nan 0.000 0.456 242 K N 0.198 120.587 120.400 -0.020 0.000 2.439 242 K HA 0.133 4.452 4.320 -0.000 0.000 0.197 242 K C 1.640 178.243 176.600 0.004 0.000 1.041 242 K CA 0.666 56.947 56.287 -0.009 0.000 0.970 242 K CB -0.086 32.403 32.500 -0.018 0.000 0.773 242 K HN 0.411 nan 8.250 nan 0.000 0.479 243 A N 0.850 123.672 122.820 0.004 0.000 2.208 243 A HA 0.150 4.470 4.320 -0.000 0.000 0.209 243 A C 1.319 178.966 177.584 0.107 0.000 1.161 243 A CA 0.627 52.703 52.037 0.065 0.000 0.782 243 A CB -0.343 18.696 19.000 0.065 0.000 0.816 243 A HN 0.344 nan 8.150 nan 0.000 0.477 244 G N -0.204 108.638 108.800 0.070 0.000 2.323 244 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.292 244 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.292 244 G C 0.006 174.960 174.900 0.090 0.000 1.040 244 G CA 0.963 46.102 45.100 0.065 0.000 0.942 244 G HN 0.590 nan 8.290 nan 0.000 0.506 245 K N -0.458 120.024 120.400 0.136 0.000 2.477 245 K HA 0.505 4.825 4.320 -0.000 0.000 0.255 245 K C -2.619 174.073 176.600 0.152 0.000 0.952 245 K CA -2.121 54.263 56.287 0.162 0.000 0.826 245 K CB 2.628 35.297 32.500 0.283 0.000 1.331 245 K HN -0.024 nan 8.250 nan 0.000 0.437 246 P HA 0.205 nan 4.420 nan 0.000 0.275 246 P C -1.168 176.206 177.300 0.123 0.000 1.266 246 P CA -0.644 62.504 63.100 0.080 0.000 0.793 246 P CB 0.607 32.328 31.700 0.035 0.000 1.074 247 L N 0.992 122.257 121.223 0.069 0.000 2.505 247 L HA 0.413 4.753 4.340 -0.000 0.000 0.266 247 L C -1.742 175.134 176.870 0.010 0.000 0.954 247 L CA -0.758 54.128 54.840 0.077 0.000 0.852 247 L CB 1.537 43.633 42.059 0.062 0.000 1.282 247 L HN 0.281 nan 8.230 nan 0.000 0.403 248 L N 6.023 127.261 121.223 0.025 0.000 2.282 248 L HA 0.536 4.875 4.340 -0.000 0.000 0.288 248 L C -0.630 176.248 176.870 0.014 0.000 1.033 248 L CA -0.466 54.371 54.840 -0.005 0.000 0.807 248 L CB 1.703 43.771 42.059 0.015 0.000 1.209 248 L HN 0.610 nan 8.230 nan 0.000 0.423 249 I N 6.066 126.631 120.570 -0.009 0.000 2.354 249 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 249 I C -0.333 175.810 176.117 0.043 0.000 0.989 249 I CA -0.408 60.902 61.300 0.016 0.000 1.188 249 I CB 1.835 39.838 38.000 0.006 0.000 1.342 249 I HN 0.440 nan 8.210 nan 0.000 0.457 250 I N 6.268 126.869 120.570 0.051 0.000 2.411 250 I HA 0.708 4.878 4.170 -0.000 0.000 0.284 250 I C -0.054 176.075 176.117 0.019 0.000 1.012 250 I CA -0.090 61.240 61.300 0.051 0.000 1.119 250 I CB 1.544 39.578 38.000 0.058 0.000 1.261 250 I HN 0.690 nan 8.210 nan 0.000 0.448 251 A N 4.693 127.525 122.820 0.021 0.000 2.529 251 A HA 0.514 4.834 4.320 -0.000 0.000 0.296 251 A C 0.719 178.313 177.584 0.017 0.000 1.205 251 A CA -0.490 51.555 52.037 0.013 0.000 0.671 251 A CB 1.120 20.133 19.000 0.022 0.000 1.301 251 A HN 0.560 nan 8.150 nan 0.000 0.450 252 E N 0.106 120.316 120.200 0.018 0.000 2.068 252 E HA -0.198 4.152 4.350 -0.000 0.000 0.207 252 E C -0.082 176.541 176.600 0.039 0.000 1.032 252 E CA 2.100 58.516 56.400 0.026 0.000 0.839 252 E CB 0.112 29.828 29.700 0.027 0.000 0.758 252 E HN 0.596 nan 8.360 nan 0.000 0.457 253 D N -2.413 118.013 120.400 0.044 0.000 2.792 253 D HA 0.202 4.842 4.640 -0.000 0.000 0.335 253 D C -1.662 174.674 176.300 0.062 0.000 1.353 253 D CA -0.444 53.591 54.000 0.057 0.000 0.839 253 D CB 1.763 42.594 40.800 0.052 0.000 1.396 253 D HN -0.204 nan 8.370 nan 0.000 0.479 254 V N 1.693 121.653 119.914 0.077 0.000 2.488 254 V HA 0.321 4.441 4.120 -0.000 0.000 0.293 254 V C -0.362 175.777 176.094 0.075 0.000 1.027 254 V CA -0.678 61.670 62.300 0.080 0.000 0.862 254 V CB 1.524 33.412 31.823 0.108 0.000 1.008 254 V HN 0.409 nan 8.190 nan 0.000 0.428 255 E N 2.450 122.683 120.200 0.056 0.000 2.343 255 E HA 0.485 4.835 4.350 -0.000 0.000 0.269 255 E C 1.435 178.060 176.600 0.041 0.000 1.047 255 E CA 0.819 57.246 56.400 0.045 0.000 0.874 255 E CB 1.546 31.265 29.700 0.033 0.000 1.033 255 E HN 0.701 nan 8.360 nan 0.000 0.409 256 G N 2.683 111.503 108.800 0.033 0.000 2.740 256 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.224 256 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.224 256 G C 1.306 176.216 174.900 0.017 0.000 1.156 256 G CA 1.492 46.605 45.100 0.021 0.000 0.766 256 G HN 0.762 nan 8.290 nan 0.000 0.623 257 E N 0.360 120.569 120.200 0.016 0.000 2.164 257 E HA -0.204 4.146 4.350 -0.000 0.000 0.206 257 E C 2.498 179.108 176.600 0.017 0.000 1.032 257 E CA 1.642 58.049 56.400 0.012 0.000 0.832 257 E CB -0.279 29.429 29.700 0.013 0.000 0.742 257 E HN 0.488 nan 8.360 nan 0.000 0.460 258 A N -0.087 122.751 122.820 0.029 0.000 2.167 258 A HA 0.154 4.473 4.320 -0.000 0.000 0.208 258 A C 1.858 179.479 177.584 0.062 0.000 1.198 258 A CA -0.011 52.050 52.037 0.040 0.000 0.863 258 A CB -0.122 18.902 19.000 0.041 0.000 0.904 258 A HN 0.338 nan 8.150 nan 0.000 0.484 259 L N -0.148 121.116 121.223 0.067 0.000 1.988 259 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 259 L C 2.645 179.543 176.870 0.046 0.000 1.071 259 L CA 1.779 56.677 54.840 0.096 0.000 0.744 259 L CB -0.357 41.756 42.059 0.090 0.000 0.893 259 L HN 0.298 nan 8.230 nan 0.000 0.433 260 A N -0.612 122.207 122.820 -0.001 0.000 2.024 260 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 260 A C 2.265 179.819 177.584 -0.049 0.000 1.164 260 A CA 2.223 54.228 52.037 -0.053 0.000 0.643 260 A CB -1.223 17.744 19.000 -0.054 0.000 0.806 260 A HN 0.679 nan 8.150 nan 0.000 0.451 261 T N -1.173 113.376 114.554 -0.009 0.000 2.770 261 T HA -0.029 4.320 4.350 -0.000 0.000 0.263 261 T C 1.850 176.564 174.700 0.023 0.000 1.039 261 T CA 1.215 63.314 62.100 -0.001 0.000 1.142 261 T CB -0.571 68.303 68.868 0.009 0.000 0.868 261 T HN 0.276 nan 8.240 nan 0.000 0.435 262 L N 0.837 122.102 121.223 0.070 0.000 2.131 262 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 262 L C 2.878 179.849 176.870 0.169 0.000 1.092 262 L CA 0.789 55.713 54.840 0.140 0.000 0.759 262 L CB -0.676 41.510 42.059 0.211 0.000 0.903 262 L HN 0.183 nan 8.230 nan 0.000 0.435 263 V N -0.496 119.450 119.914 0.053 0.000 2.220 263 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 263 V C 2.345 178.380 176.094 -0.099 0.000 1.049 263 V CA 1.925 64.150 62.300 -0.125 0.000 1.003 263 V CB -0.366 31.284 31.823 -0.289 0.000 0.634 263 V HN 0.225 nan 8.190 nan 0.000 0.444 264 V N 0.505 120.353 119.914 -0.110 0.000 2.626 264 V HA -0.202 3.918 4.120 -0.000 0.000 0.252 264 V C 2.240 178.316 176.094 -0.029 0.000 1.067 264 V CA 1.855 64.099 62.300 -0.095 0.000 1.081 264 V CB -1.053 30.710 31.823 -0.099 0.000 0.686 264 V HN 0.626 nan 8.190 nan 0.000 0.468 265 N N 0.744 119.447 118.700 0.005 0.000 2.289 265 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 265 N C 1.916 177.455 175.510 0.048 0.000 1.016 265 N CA 2.050 55.117 53.050 0.029 0.000 0.872 265 N CB 0.233 38.746 38.487 0.043 0.000 0.973 265 N HN 0.739 nan 8.380 nan 0.000 0.433 266 T N -1.400 113.199 114.554 0.076 0.000 2.980 266 T HA 0.043 4.393 4.350 -0.000 0.000 0.239 266 T C 1.376 176.116 174.700 0.066 0.000 1.011 266 T CA -0.081 62.077 62.100 0.097 0.000 1.171 266 T CB -0.452 68.531 68.868 0.192 0.000 0.873 266 T HN 0.194 nan 8.240 nan 0.000 0.431 267 M N 2.249 121.881 119.600 0.053 0.000 2.842 267 M HA 0.364 4.844 4.480 -0.000 0.000 0.314 267 M C -0.372 175.938 176.300 0.016 0.000 1.646 267 M CA 0.067 55.392 55.300 0.042 0.000 1.484 267 M CB -0.526 32.104 32.600 0.050 0.000 1.727 267 M HN 0.123 nan 8.290 nan 0.000 0.468 268 R N 2.122 122.634 120.500 0.020 0.000 2.994 268 R HA -0.111 4.229 4.340 -0.000 0.000 0.267 268 R C -0.347 175.956 176.300 0.006 0.000 0.914 268 R CA 1.000 57.105 56.100 0.009 0.000 0.668 268 R CB -1.954 28.347 30.300 0.000 0.000 1.524 268 R HN 1.146 nan 8.270 nan 0.000 0.478 269 G N -0.385 108.423 108.800 0.013 0.000 2.559 269 G HA2 0.504 4.464 3.960 -0.000 0.000 0.291 269 G HA3 0.504 4.464 3.960 -0.000 0.000 0.291 269 G C 0.826 175.737 174.900 0.018 0.000 1.424 269 G CA -0.599 44.508 45.100 0.012 0.000 0.786 269 G HN 0.066 nan 8.290 nan 0.000 0.485 270 I N -0.329 120.250 120.570 0.015 0.000 2.034 270 I HA -0.115 4.055 4.170 -0.000 0.000 0.228 270 I C 1.068 177.198 176.117 0.021 0.000 1.041 270 I CA 1.157 62.466 61.300 0.015 0.000 1.321 270 I CB -0.426 37.580 38.000 0.010 0.000 1.062 270 I HN 0.118 nan 8.210 nan 0.000 0.389 271 V N 2.032 121.960 119.914 0.024 0.000 2.439 271 V HA 0.078 4.198 4.120 -0.000 0.000 0.271 271 V C 0.123 176.242 176.094 0.041 0.000 1.040 271 V CA -0.413 61.904 62.300 0.029 0.000 1.002 271 V CB 0.377 32.213 31.823 0.022 0.000 1.000 271 V HN 0.220 nan 8.190 nan 0.000 0.477 272 K N 4.480 124.906 120.400 0.043 0.000 2.267 272 K HA 0.575 4.894 4.320 -0.000 0.000 0.282 272 K C -0.449 176.174 176.600 0.038 0.000 1.078 272 K CA -0.301 56.018 56.287 0.053 0.000 0.903 272 K CB 0.976 33.504 32.500 0.047 0.000 1.111 272 K HN 0.763 nan 8.250 nan 0.000 0.475 273 V N -0.206 119.730 119.914 0.035 0.000 3.156 273 V HA 0.991 5.111 4.120 -0.000 0.000 0.310 273 V C -1.280 174.674 176.094 -0.233 0.000 1.234 273 V CA -1.007 61.264 62.300 -0.049 0.000 1.065 273 V CB 1.755 33.558 31.823 -0.033 0.000 1.088 273 V HN 0.702 nan 8.190 nan 0.000 0.451 274 A N 0.089 122.642 122.820 -0.446 0.000 2.604 274 A HA 1.054 5.374 4.320 -0.000 0.000 0.295 274 A C -0.593 176.611 177.584 -0.633 0.000 1.067 274 A CA -0.239 51.149 52.037 -1.082 0.000 0.683 274 A CB 1.420 19.960 19.000 -0.766 0.000 1.281 274 A HN 2.638 nan 8.150 nan 0.000 0.407 275 A N 0.239 122.664 122.820 -0.658 0.000 2.475 275 A HA 0.906 5.225 4.320 -0.000 0.000 0.301 275 A C -0.538 177.060 177.584 0.024 0.000 1.059 275 A CA -0.062 51.880 52.037 -0.159 0.000 0.710 275 A CB 1.472 20.451 19.000 -0.035 0.000 1.288 275 A HN 2.361 nan 8.150 nan 0.000 0.408 276 V N -1.041 118.923 119.914 0.084 0.000 3.049 276 V HA 0.634 4.753 4.120 -0.000 0.000 0.309 276 V C -0.462 175.715 176.094 0.139 0.000 1.148 276 V CA -1.269 61.120 62.300 0.148 0.000 0.990 276 V CB 1.445 33.377 31.823 0.181 0.000 1.039 276 V HN 0.896 nan 8.190 nan 0.000 0.430 277 K N 1.851 122.330 120.400 0.132 0.000 2.380 277 K HA 0.599 4.919 4.320 -0.000 0.000 0.267 277 K C 0.502 177.135 176.600 0.054 0.000 0.990 277 K CA 0.418 56.758 56.287 0.089 0.000 0.946 277 K CB 0.883 33.431 32.500 0.081 0.000 0.937 277 K HN 1.127 nan 8.250 nan 0.000 0.491 278 A N 3.606 126.416 122.820 -0.017 0.000 2.386 278 A HA 0.250 4.570 4.320 -0.000 0.000 0.248 278 A C -2.091 175.390 177.584 -0.172 0.000 1.082 278 A CA -1.187 50.763 52.037 -0.144 0.000 0.789 278 A CB -0.298 18.637 19.000 -0.109 0.000 1.025 278 A HN 0.470 nan 8.150 nan 0.000 0.490 279 P HA 0.401 nan 4.420 nan 0.000 0.275 279 P C 0.545 177.790 177.300 -0.092 0.000 1.228 279 P CA 1.393 64.349 63.100 -0.240 0.000 0.786 279 P CB 0.585 32.020 31.700 -0.443 0.000 0.927 280 G N 1.985 110.804 108.800 0.032 0.000 2.860 280 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.553 280 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.553 280 G C -0.941 174.061 174.900 0.171 0.000 1.439 280 G CA -0.280 44.870 45.100 0.084 0.000 0.879 280 G HN 0.665 nan 8.290 nan 0.000 0.545 281 F N -1.125 118.822 119.950 -0.004 0.000 2.578 281 F HA 0.821 5.348 4.527 -0.001 0.000 0.311 281 F C 0.960 176.764 175.800 0.006 0.000 1.094 281 F CA -0.066 57.934 58.000 0.001 0.000 0.923 281 F CB 1.287 40.294 39.000 0.011 0.000 1.230 281 F HN 2.382 nan 8.300 nan 0.000 0.450 282 G N 2.358 111.197 108.800 0.066 0.000 2.536 282 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.280 282 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.280 282 G C 0.362 175.221 174.900 -0.069 0.000 1.152 282 G CA 0.505 45.606 45.100 0.002 0.000 0.970 282 G HN 0.751 nan 8.290 nan 0.000 0.549 283 D N 0.524 120.868 120.400 -0.095 0.000 2.264 283 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 283 D C 2.456 178.690 176.300 -0.110 0.000 0.966 283 D CA 1.191 55.142 54.000 -0.082 0.000 0.864 283 D CB -0.130 40.633 40.800 -0.063 0.000 0.933 283 D HN 0.290 nan 8.370 nan 0.000 0.499 284 R N 1.028 121.420 120.500 -0.181 0.000 2.062 284 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 284 R C 2.232 178.453 176.300 -0.132 0.000 1.136 284 R CA 1.051 57.044 56.100 -0.178 0.000 0.948 284 R CB -0.380 29.757 30.300 -0.273 0.000 0.845 284 R HN 0.157 nan 8.270 nan 0.000 0.430 285 R N 1.032 121.459 120.500 -0.123 0.000 2.139 285 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 285 R C 1.300 177.554 176.300 -0.076 0.000 1.145 285 R CA 1.504 57.550 56.100 -0.090 0.000 0.976 285 R CB -0.255 30.013 30.300 -0.054 0.000 0.866 285 R HN 0.079 nan 8.270 nan 0.000 0.449 286 K N 0.856 121.218 120.400 -0.063 0.000 1.988 286 K HA -0.183 4.137 4.320 -0.000 0.000 0.221 286 K C 2.217 178.786 176.600 -0.051 0.000 1.053 286 K CA 2.033 58.291 56.287 -0.048 0.000 0.959 286 K CB -0.617 31.859 32.500 -0.040 0.000 0.728 286 K HN 0.356 nan 8.250 nan 0.000 0.447 287 A N 1.358 124.145 122.820 -0.055 0.000 1.929 287 A HA -0.079 4.240 4.320 -0.000 0.000 0.216 287 A C 2.229 179.778 177.584 -0.060 0.000 1.176 287 A CA 1.188 53.195 52.037 -0.051 0.000 0.628 287 A CB -0.360 18.610 19.000 -0.049 0.000 0.816 287 A HN 0.221 nan 8.150 nan 0.000 0.444 288 M N -1.202 118.351 119.600 -0.078 0.000 2.202 288 M HA -0.140 4.339 4.480 -0.000 0.000 0.262 288 M C 2.128 178.360 176.300 -0.112 0.000 1.063 288 M CA 1.354 56.597 55.300 -0.096 0.000 1.097 288 M CB -0.500 32.029 32.600 -0.119 0.000 1.382 288 M HN 0.499 nan 8.290 nan 0.000 0.413 289 L N 0.053 121.214 121.223 -0.104 0.000 2.162 289 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 289 L C 2.335 179.171 176.870 -0.057 0.000 1.086 289 L CA 1.544 56.325 54.840 -0.099 0.000 0.778 289 L CB -0.576 41.433 42.059 -0.084 0.000 0.928 289 L HN 0.188 nan 8.230 nan 0.000 0.446 290 Q N -0.195 119.579 119.800 -0.045 0.000 2.226 290 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 290 Q C 1.622 177.609 176.000 -0.021 0.000 0.975 290 Q CA 1.842 57.629 55.803 -0.027 0.000 0.866 290 Q CB -0.230 28.492 28.738 -0.025 0.000 0.915 290 Q HN 0.518 nan 8.270 nan 0.000 0.440 291 D N -0.373 120.011 120.400 -0.027 0.000 2.097 291 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 291 D C 1.715 178.016 176.300 0.001 0.000 0.989 291 D CA 1.397 55.389 54.000 -0.014 0.000 0.827 291 D CB -0.151 40.638 40.800 -0.018 0.000 0.966 291 D HN 0.386 nan 8.370 nan 0.000 0.456 292 I N 0.865 121.435 120.570 0.000 0.000 2.315 292 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 292 I C 2.443 178.576 176.117 0.026 0.000 1.117 292 I CA 0.807 62.126 61.300 0.031 0.000 1.404 292 I CB -0.382 37.642 38.000 0.039 0.000 1.071 292 I HN -0.078 nan 8.210 nan 0.000 0.419 293 A N 1.295 124.121 122.820 0.011 0.000 1.859 293 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 293 A C 2.430 180.022 177.584 0.013 0.000 1.198 293 A CA 2.892 54.937 52.037 0.013 0.000 0.629 293 A CB -1.350 17.652 19.000 0.004 0.000 0.830 293 A HN 0.401 nan 8.150 nan 0.000 0.446 294 T N 0.078 114.636 114.554 0.007 0.000 2.653 294 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 294 T C 1.816 176.522 174.700 0.009 0.000 1.035 294 T CA 1.730 63.834 62.100 0.006 0.000 1.154 294 T CB -0.472 68.397 68.868 0.002 0.000 0.862 294 T HN 0.358 nan 8.240 nan 0.000 0.441 295 L N 1.680 122.911 121.223 0.014 0.000 2.141 295 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 295 L C 2.338 179.216 176.870 0.014 0.000 1.094 295 L CA 2.007 56.856 54.840 0.015 0.000 0.763 295 L CB -0.803 41.272 42.059 0.026 0.000 0.908 295 L HN 0.435 nan 8.230 nan 0.000 0.437 296 T N -4.279 110.286 114.554 0.019 0.000 3.069 296 T HA 0.336 4.685 4.350 -0.000 0.000 0.252 296 T C 1.323 176.033 174.700 0.016 0.000 1.053 296 T CA 0.147 62.257 62.100 0.015 0.000 0.964 296 T CB -0.269 68.615 68.868 0.026 0.000 1.005 296 T HN 0.554 nan 8.240 nan 0.000 0.532 297 G N 0.776 109.585 108.800 0.015 0.000 2.283 297 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.280 297 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.280 297 G C 0.378 175.294 174.900 0.027 0.000 1.029 297 G CA -0.074 45.036 45.100 0.017 0.000 0.840 297 G HN 1.047 nan 8.290 nan 0.000 0.505 298 G N -1.570 107.249 108.800 0.030 0.000 2.491 298 G HA2 0.719 4.679 3.960 -0.000 0.000 0.327 298 G HA3 0.719 4.679 3.960 -0.000 0.000 0.327 298 G C -0.192 174.724 174.900 0.026 0.000 1.189 298 G CA 0.186 45.309 45.100 0.038 0.000 0.956 298 G HN 0.533 nan 8.290 nan 0.000 0.491 299 T N 0.223 114.792 114.554 0.025 0.000 2.824 299 T HA 0.456 4.806 4.350 -0.000 0.000 0.280 299 T C 0.292 174.999 174.700 0.012 0.000 0.995 299 T CA -0.358 61.752 62.100 0.015 0.000 1.009 299 T CB 1.486 70.362 68.868 0.014 0.000 0.955 299 T HN 0.666 nan 8.240 nan 0.000 0.452 300 V N 1.608 121.525 119.914 0.005 0.000 2.432 300 V HA 0.472 4.592 4.120 -0.000 0.000 0.271 300 V C -0.090 176.004 176.094 0.000 0.000 1.046 300 V CA -0.809 61.492 62.300 0.001 0.000 0.945 300 V CB -0.125 31.694 31.823 -0.006 0.000 0.992 300 V HN 0.726 nan 8.190 nan 0.000 0.471 301 I N 4.617 125.187 120.570 0.001 0.000 2.241 301 I HA 0.239 4.409 4.170 -0.000 0.000 0.294 301 I C 0.734 176.851 176.117 -0.000 0.000 1.145 301 I CA 0.756 62.056 61.300 0.001 0.000 1.261 301 I CB 0.075 38.077 38.000 0.002 0.000 1.475 301 I HN 0.662 nan 8.210 nan 0.000 0.533 302 S N 4.576 120.274 115.700 -0.002 0.000 2.513 302 S HA 0.238 4.708 4.470 -0.000 0.000 0.276 302 S C 1.139 175.738 174.600 -0.001 0.000 1.254 302 S CA -0.782 57.417 58.200 -0.002 0.000 1.053 302 S CB 1.391 64.588 63.200 -0.004 0.000 0.958 302 S HN 0.461 nan 8.310 nan 0.000 0.491 303 E N 2.410 122.610 120.200 0.001 0.000 2.208 303 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 303 E C 0.885 177.485 176.600 0.001 0.000 0.988 303 E CA 0.854 57.255 56.400 0.002 0.000 0.828 303 E CB -0.064 29.638 29.700 0.004 0.000 0.763 303 E HN 0.728 nan 8.360 nan 0.000 0.478 304 E N 0.113 120.313 120.200 0.000 0.000 2.516 304 E HA -0.011 4.339 4.350 -0.000 0.000 0.199 304 E C 1.411 178.010 176.600 -0.001 0.000 1.069 304 E CA 0.272 56.672 56.400 -0.000 0.000 0.876 304 E CB 0.046 29.745 29.700 -0.001 0.000 0.843 304 E HN 0.284 nan 8.360 nan 0.000 0.530 305 I N -2.051 118.518 120.570 -0.001 0.000 4.312 305 I HA 0.245 4.415 4.170 -0.000 0.000 0.324 305 I C 1.520 177.636 176.117 -0.001 0.000 1.298 305 I CA 0.308 61.607 61.300 -0.001 0.000 1.231 305 I CB 1.019 39.018 38.000 -0.002 0.000 1.152 305 I HN 0.229 nan 8.210 nan 0.000 0.421 306 G N 1.454 110.254 108.800 -0.000 0.000 2.352 306 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.204 306 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.204 306 G C 0.368 175.267 174.900 -0.000 0.000 1.004 306 G CA -0.405 44.694 45.100 -0.000 0.000 0.648 306 G HN 0.167 nan 8.290 nan 0.000 0.491 307 M N 1.584 121.183 119.600 -0.001 0.000 2.248 307 M HA 0.524 5.004 4.480 -0.000 0.000 0.345 307 M C 0.418 176.717 176.300 -0.000 0.000 1.243 307 M CA 0.718 56.018 55.300 -0.001 0.000 1.090 307 M CB 0.726 33.325 32.600 -0.001 0.000 1.683 307 M HN 0.273 nan 8.290 nan 0.000 0.450 308 E N 1.707 121.906 120.200 -0.001 0.000 2.281 308 E HA 0.373 4.723 4.350 -0.000 0.000 0.257 308 E C 0.218 176.816 176.600 -0.002 0.000 0.971 308 E CA -0.648 55.752 56.400 -0.001 0.000 0.839 308 E CB 1.472 31.171 29.700 -0.001 0.000 1.238 308 E HN 0.741 nan 8.360 nan 0.000 0.412 309 L N 0.932 122.154 121.223 -0.001 0.000 2.217 309 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 309 L C 1.946 178.811 176.870 -0.007 0.000 1.107 309 L CA 0.866 55.704 54.840 -0.003 0.000 0.783 309 L CB -0.234 41.825 42.059 -0.000 0.000 0.919 309 L HN 0.569 nan 8.230 nan 0.000 0.442 310 E N 0.672 120.868 120.200 -0.006 0.000 2.268 310 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 310 E C 0.578 177.172 176.600 -0.010 0.000 0.995 310 E CA 0.838 57.233 56.400 -0.008 0.000 0.836 310 E CB 0.096 29.793 29.700 -0.006 0.000 0.763 310 E HN 0.314 nan 8.360 nan 0.000 0.491 311 K N 0.563 120.958 120.400 -0.008 0.000 3.000 311 K HA 0.331 4.651 4.320 -0.000 0.000 0.239 311 K C -0.979 175.615 176.600 -0.010 0.000 1.269 311 K CA -0.204 56.078 56.287 -0.009 0.000 1.220 311 K CB 1.529 34.025 32.500 -0.006 0.000 1.645 311 K HN -0.033 nan 8.250 nan 0.000 0.423 312 A N 0.237 123.048 122.820 -0.015 0.000 2.459 312 A HA 0.651 4.971 4.320 -0.000 0.000 0.296 312 A C -0.471 177.095 177.584 -0.031 0.000 1.039 312 A CA -0.650 51.376 52.037 -0.018 0.000 0.698 312 A CB 1.208 20.200 19.000 -0.015 0.000 1.261 312 A HN 0.215 nan 8.150 nan 0.000 0.405 313 T N 1.600 116.135 114.554 -0.032 0.000 2.905 313 T HA 0.461 4.810 4.350 -0.000 0.000 0.283 313 T C 1.434 176.096 174.700 -0.064 0.000 1.031 313 T CA -0.560 61.510 62.100 -0.051 0.000 1.002 313 T CB 0.700 69.546 68.868 -0.038 0.000 1.200 313 T HN 0.400 nan 8.240 nan 0.000 0.560 314 L N 0.817 121.976 121.223 -0.106 0.000 2.043 314 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 314 L C 2.696 179.568 176.870 0.004 0.000 1.075 314 L CA 1.772 56.530 54.840 -0.137 0.000 0.752 314 L CB -1.094 40.842 42.059 -0.206 0.000 0.891 314 L HN 0.844 nan 8.230 nan 0.000 0.432 315 E N -0.443 119.765 120.200 0.013 0.000 2.333 315 E HA -0.264 4.086 4.350 -0.000 0.000 0.200 315 E C 1.015 177.637 176.600 0.038 0.000 1.010 315 E CA 1.552 57.974 56.400 0.037 0.000 0.841 315 E CB -0.383 29.329 29.700 0.020 0.000 0.757 315 E HN 0.569 nan 8.360 nan 0.000 0.508 316 D N 0.327 120.742 120.400 0.025 0.000 2.240 316 D HA 0.037 4.677 4.640 -0.000 0.000 0.206 316 D C 0.358 176.686 176.300 0.047 0.000 0.963 316 D CA 0.185 54.200 54.000 0.026 0.000 0.863 316 D CB 0.112 40.918 40.800 0.009 0.000 0.973 316 D HN 0.120 nan 8.370 nan 0.000 0.501 317 L N 1.252 122.516 121.223 0.068 0.000 2.426 317 L HA 0.279 4.619 4.340 -0.000 0.000 0.271 317 L C 1.460 178.420 176.870 0.149 0.000 1.169 317 L CA -0.008 54.903 54.840 0.118 0.000 0.836 317 L CB 0.491 42.649 42.059 0.164 0.000 1.112 317 L HN -0.139 nan 8.230 nan 0.000 0.465 318 G N 1.969 110.839 108.800 0.117 0.000 2.621 318 G HA2 0.473 4.432 3.960 -0.000 0.000 0.271 318 G HA3 0.473 4.432 3.960 -0.000 0.000 0.271 318 G C -0.769 174.171 174.900 0.067 0.000 1.236 318 G CA -0.334 44.815 45.100 0.080 0.000 0.958 318 G HN 0.556 nan 8.290 nan 0.000 0.512 319 Q N -1.435 118.364 119.800 -0.001 0.000 2.320 319 Q HA 0.550 4.890 4.340 -0.000 0.000 0.272 319 Q C -1.194 174.762 176.000 -0.072 0.000 1.023 319 Q CA -0.694 55.054 55.803 -0.091 0.000 0.855 319 Q CB 2.474 31.117 28.738 -0.159 0.000 1.367 319 Q HN 0.845 nan 8.270 nan 0.000 0.406 320 A N 1.697 124.464 122.820 -0.088 0.000 2.520 320 A HA 0.395 4.714 4.320 -0.000 0.000 0.298 320 A C -0.257 177.280 177.584 -0.078 0.000 1.051 320 A CA -0.592 51.407 52.037 -0.064 0.000 0.690 320 A CB 1.511 20.490 19.000 -0.035 0.000 1.281 320 A HN 0.775 nan 8.150 nan 0.000 0.402 321 K N -0.128 120.233 120.400 -0.066 0.000 2.280 321 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 321 K C 0.698 177.264 176.600 -0.057 0.000 1.047 321 K CA 1.247 57.495 56.287 -0.065 0.000 0.942 321 K CB 0.061 32.530 32.500 -0.052 0.000 0.739 321 K HN 0.619 nan 8.250 nan 0.000 0.457 322 R N -1.542 118.928 120.500 -0.051 0.000 2.747 322 R HA 0.414 4.753 4.340 -0.000 0.000 0.272 322 R C -2.051 174.222 176.300 -0.044 0.000 1.032 322 R CA -0.720 55.353 56.100 -0.045 0.000 0.896 322 R CB 2.501 32.777 30.300 -0.040 0.000 1.253 322 R HN -0.111 nan 8.270 nan 0.000 0.461 323 V N 1.521 121.409 119.914 -0.042 0.000 2.809 323 V HA 0.477 4.597 4.120 -0.000 0.000 0.290 323 V C -1.760 174.307 176.094 -0.045 0.000 1.305 323 V CA -0.549 61.721 62.300 -0.049 0.000 0.939 323 V CB 1.804 33.601 31.823 -0.042 0.000 1.081 323 V HN 0.583 nan 8.190 nan 0.000 0.439 324 V N 5.622 125.503 119.914 -0.056 0.000 2.555 324 V HA 0.873 4.993 4.120 -0.000 0.000 0.302 324 V C -0.703 175.367 176.094 -0.041 0.000 1.038 324 V CA -0.474 61.804 62.300 -0.036 0.000 0.887 324 V CB 1.661 33.466 31.823 -0.030 0.000 0.991 324 V HN 0.792 nan 8.190 nan 0.000 0.434 325 I N 6.126 126.704 120.570 0.015 0.000 2.569 325 I HA 0.586 4.756 4.170 -0.000 0.000 0.296 325 I C 0.191 176.395 176.117 0.144 0.000 1.028 325 I CA -0.245 61.087 61.300 0.053 0.000 1.082 325 I CB 2.014 40.080 38.000 0.110 0.000 1.264 325 I HN 0.995 nan 8.210 nan 0.000 0.429 326 N N 4.249 123.000 118.700 0.084 0.000 3.167 326 N HA 0.328 5.068 4.740 -0.000 0.000 0.323 326 N C 0.564 175.928 175.510 -0.244 0.000 1.478 326 N CA -0.801 52.316 53.050 0.111 0.000 0.753 326 N CB 1.118 39.637 38.487 0.054 0.000 1.721 326 N HN 0.430 nan 8.380 nan 0.000 0.618 327 K N -0.180 120.051 120.400 -0.281 0.000 2.117 327 K HA -0.256 4.064 4.320 -0.000 0.000 0.215 327 K C -0.333 175.986 176.600 -0.469 0.000 1.053 327 K CA 3.029 58.996 56.287 -0.533 0.000 0.935 327 K CB -0.332 32.072 32.500 -0.160 0.000 0.719 327 K HN 0.792 nan 8.250 nan 0.000 0.460 328 D N -2.131 118.127 120.400 -0.237 0.000 2.740 328 D HA 0.103 4.743 4.640 -0.000 0.000 0.305 328 D C -1.081 175.172 176.300 -0.078 0.000 1.583 328 D CA -0.453 53.464 54.000 -0.138 0.000 0.790 328 D CB 0.822 41.574 40.800 -0.081 0.000 1.187 328 D HN -0.100 nan 8.370 nan 0.000 0.447 329 T N -0.337 114.159 114.554 -0.096 0.000 2.971 329 T HA 0.611 4.961 4.350 -0.000 0.000 0.304 329 T C -0.789 173.813 174.700 -0.163 0.000 1.038 329 T CA -0.563 61.475 62.100 -0.104 0.000 1.007 329 T CB 2.118 70.936 68.868 -0.083 0.000 1.055 329 T HN -0.112 nan 8.240 nan 0.000 0.451 330 T N 2.440 116.796 114.554 -0.330 0.000 2.792 330 T HA 0.697 5.046 4.350 -0.000 0.000 0.280 330 T C -0.316 174.015 174.700 -0.614 0.000 0.990 330 T CA -0.594 61.216 62.100 -0.485 0.000 0.960 330 T CB 1.444 69.920 68.868 -0.652 0.000 0.939 330 T HN 0.739 nan 8.240 nan 0.000 0.439 331 T N 3.492 117.835 114.554 -0.352 0.000 2.937 331 T HA 0.617 4.967 4.350 -0.000 0.000 0.297 331 T C -0.387 174.213 174.700 -0.166 0.000 0.991 331 T CA -0.962 60.982 62.100 -0.261 0.000 0.990 331 T CB 0.138 68.907 68.868 -0.164 0.000 0.991 331 T HN 0.624 nan 8.240 nan 0.000 0.440 332 I N 3.026 123.519 120.570 -0.127 0.000 2.359 332 I HA 0.677 4.847 4.170 -0.000 0.000 0.294 332 I C -0.951 175.140 176.117 -0.043 0.000 0.987 332 I CA -1.212 60.051 61.300 -0.062 0.000 1.225 332 I CB 1.250 39.241 38.000 -0.014 0.000 1.366 332 I HN 0.558 nan 8.210 nan 0.000 0.466 333 I N 5.073 125.618 120.570 -0.041 0.000 2.378 333 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 333 I C -0.521 175.576 176.117 -0.032 0.000 0.992 333 I CA -0.364 60.915 61.300 -0.036 0.000 1.154 333 I CB 1.285 39.261 38.000 -0.040 0.000 1.315 333 I HN 0.709 nan 8.210 nan 0.000 0.448 334 D N 5.080 125.465 120.400 -0.026 0.000 4.044 334 D HA -0.118 4.522 4.640 -0.000 0.000 0.242 334 D C -0.118 176.166 176.300 -0.026 0.000 1.076 334 D CA 0.751 54.736 54.000 -0.025 0.000 1.171 334 D CB -0.107 40.675 40.800 -0.030 0.000 0.866 334 D HN 0.821 nan 8.370 nan 0.000 0.413 335 G N 1.447 110.237 108.800 -0.017 0.000 2.372 335 G HA2 0.446 4.406 3.960 -0.000 0.000 0.283 335 G HA3 0.446 4.406 3.960 -0.000 0.000 0.283 335 G C 1.370 176.259 174.900 -0.017 0.000 1.177 335 G CA -0.369 44.722 45.100 -0.015 0.000 0.842 335 G HN 0.339 nan 8.290 nan 0.000 0.503 336 V N 2.577 122.477 119.914 -0.023 0.000 3.305 336 V HA 0.040 4.159 4.120 -0.000 0.000 0.269 336 V C 2.043 178.130 176.094 -0.011 0.000 1.157 336 V CA 0.567 62.854 62.300 -0.023 0.000 1.157 336 V CB -1.189 30.613 31.823 -0.035 0.000 0.772 336 V HN 0.770 nan 8.190 nan 0.000 0.498 337 G N 1.187 109.984 108.800 -0.004 0.000 2.265 337 G HA2 0.057 4.016 3.960 -0.000 0.000 0.240 337 G HA3 0.057 4.016 3.960 -0.000 0.000 0.240 337 G C 0.115 175.014 174.900 -0.001 0.000 1.270 337 G CA -0.204 44.896 45.100 0.001 0.000 0.901 337 G HN 0.303 nan 8.290 nan 0.000 0.507 338 E N 1.701 121.901 120.200 -0.000 0.000 2.481 338 E HA -0.041 4.308 4.350 -0.000 0.000 0.263 338 E C 1.240 177.840 176.600 -0.002 0.000 0.992 338 E CA -0.145 56.254 56.400 -0.001 0.000 0.938 338 E CB 0.769 30.469 29.700 0.000 0.000 0.933 338 E HN 0.541 nan 8.360 nan 0.000 0.453 339 E N 2.083 122.281 120.200 -0.003 0.000 2.077 339 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 339 E C 1.760 178.358 176.600 -0.002 0.000 0.989 339 E CA 1.391 57.789 56.400 -0.003 0.000 0.800 339 E CB -0.223 29.474 29.700 -0.004 0.000 0.746 339 E HN 0.588 nan 8.360 nan 0.000 0.452 340 A N 1.125 123.943 122.820 -0.002 0.000 1.978 340 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 340 A C 2.336 179.919 177.584 -0.002 0.000 1.170 340 A CA 2.110 54.145 52.037 -0.002 0.000 0.636 340 A CB -0.412 18.588 19.000 -0.001 0.000 0.810 340 A HN 0.270 nan 8.150 nan 0.000 0.448 341 A N -0.196 122.623 122.820 -0.001 0.000 1.855 341 A HA 0.093 4.412 4.320 -0.000 0.000 0.213 341 A C 2.074 179.657 177.584 -0.001 0.000 1.195 341 A CA 1.210 53.246 52.037 -0.001 0.000 0.610 341 A CB -0.516 18.485 19.000 0.001 0.000 0.837 341 A HN 0.437 nan 8.150 nan 0.000 0.444 342 I N -0.333 120.237 120.570 -0.001 0.000 2.226 342 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 342 I C 2.516 178.632 176.117 -0.002 0.000 1.100 342 I CA 1.089 62.388 61.300 -0.001 0.000 1.374 342 I CB -0.263 37.737 38.000 -0.000 0.000 1.057 342 I HN 0.240 nan 8.210 nan 0.000 0.413 343 Q N 0.655 120.453 119.800 -0.003 0.000 2.167 343 Q HA -0.058 4.281 4.340 -0.000 0.000 0.202 343 Q C 2.313 178.311 176.000 -0.004 0.000 0.970 343 Q CA 1.504 57.305 55.803 -0.003 0.000 0.855 343 Q CB -0.868 27.868 28.738 -0.003 0.000 0.911 343 Q HN 0.575 nan 8.270 nan 0.000 0.438 344 G N 0.353 109.151 108.800 -0.004 0.000 2.402 344 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.216 344 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.216 344 G C 1.681 176.578 174.900 -0.005 0.000 1.162 344 G CA 0.774 45.872 45.100 -0.004 0.000 0.777 344 G HN 0.277 nan 8.290 nan 0.000 0.539 345 R N 0.021 120.518 120.500 -0.005 0.000 2.096 345 R HA 0.004 4.343 4.340 -0.000 0.000 0.235 345 R C 2.646 178.941 176.300 -0.008 0.000 1.127 345 R CA 1.193 57.289 56.100 -0.007 0.000 0.968 345 R CB -0.699 29.598 30.300 -0.006 0.000 0.861 345 R HN 0.222 nan 8.270 nan 0.000 0.440 346 V N 0.639 120.549 119.914 -0.007 0.000 2.287 346 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 346 V C 2.336 178.425 176.094 -0.009 0.000 1.053 346 V CA 2.056 64.351 62.300 -0.008 0.000 1.027 346 V CB -0.982 30.837 31.823 -0.006 0.000 0.646 346 V HN 0.554 nan 8.190 nan 0.000 0.447 347 A N -0.978 121.837 122.820 -0.007 0.000 1.940 347 A HA -0.322 3.997 4.320 -0.000 0.000 0.219 347 A C 2.175 179.754 177.584 -0.008 0.000 1.176 347 A CA 2.197 54.230 52.037 -0.007 0.000 0.631 347 A CB -0.505 18.492 19.000 -0.006 0.000 0.814 347 A HN 0.663 nan 8.150 nan 0.000 0.446 348 Q N -0.620 119.175 119.800 -0.009 0.000 2.020 348 Q HA -0.130 4.209 4.340 -0.000 0.000 0.202 348 Q C 2.086 178.079 176.000 -0.013 0.000 0.982 348 Q CA 1.744 57.541 55.803 -0.010 0.000 0.838 348 Q CB -0.341 28.391 28.738 -0.010 0.000 0.899 348 Q HN 0.773 nan 8.270 nan 0.000 0.423 349 I N 0.195 120.757 120.570 -0.014 0.000 2.252 349 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 349 I C 2.466 178.572 176.117 -0.017 0.000 1.102 349 I CA 0.848 62.138 61.300 -0.018 0.000 1.385 349 I CB -0.319 37.669 38.000 -0.021 0.000 1.064 349 I HN 0.114 nan 8.210 nan 0.000 0.414 350 R N 0.620 121.112 120.500 -0.014 0.000 2.096 350 R HA -0.244 4.096 4.340 -0.000 0.000 0.240 350 R C 2.254 178.547 176.300 -0.012 0.000 1.139 350 R CA 1.697 57.789 56.100 -0.013 0.000 0.952 350 R CB -0.736 29.558 30.300 -0.010 0.000 0.854 350 R HN 0.539 nan 8.270 nan 0.000 0.436 351 Q N 0.943 120.736 119.800 -0.010 0.000 2.030 351 Q HA -0.225 4.114 4.340 -0.000 0.000 0.204 351 Q C 2.013 178.007 176.000 -0.010 0.000 0.986 351 Q CA 1.715 57.513 55.803 -0.009 0.000 0.843 351 Q CB -0.018 28.715 28.738 -0.008 0.000 0.904 351 Q HN 0.429 nan 8.270 nan 0.000 0.420 352 Q N -0.060 119.732 119.800 -0.012 0.000 2.248 352 Q HA -0.171 4.168 4.340 -0.000 0.000 0.208 352 Q C 1.968 177.960 176.000 -0.014 0.000 0.984 352 Q CA 1.284 57.079 55.803 -0.014 0.000 0.875 352 Q CB -0.161 28.567 28.738 -0.018 0.000 0.910 352 Q HN 0.509 nan 8.270 nan 0.000 0.433 353 I N 1.093 121.654 120.570 -0.016 0.000 2.614 353 I HA -0.241 3.929 4.170 -0.000 0.000 0.258 353 I C 2.438 178.549 176.117 -0.010 0.000 1.189 353 I CA 0.926 62.217 61.300 -0.016 0.000 1.462 353 I CB -0.545 37.444 38.000 -0.017 0.000 1.092 353 I HN 0.319 nan 8.210 nan 0.000 0.442 354 E N 1.758 121.953 120.200 -0.008 0.000 2.209 354 E HA -0.296 4.053 4.350 -0.000 0.000 0.196 354 E C 1.610 178.208 176.600 -0.003 0.000 0.993 354 E CA 1.443 57.840 56.400 -0.005 0.000 0.819 354 E CB -0.116 29.581 29.700 -0.005 0.000 0.745 354 E HN 0.486 nan 8.360 nan 0.000 0.477 355 E N 1.248 121.446 120.200 -0.004 0.000 2.033 355 E HA -0.121 4.229 4.350 -0.000 0.000 0.199 355 E C 1.046 177.647 176.600 0.002 0.000 1.011 355 E CA 1.996 58.395 56.400 -0.001 0.000 0.815 355 E CB -0.443 29.256 29.700 -0.002 0.000 0.755 355 E HN 0.493 nan 8.360 nan 0.000 0.451 356 A N -0.483 122.339 122.820 0.003 0.000 2.687 356 A HA -0.269 4.051 4.320 -0.000 0.000 0.299 356 A C 1.231 178.823 177.584 0.013 0.000 1.497 356 A CA 1.184 53.225 52.037 0.007 0.000 0.751 356 A CB -2.340 16.663 19.000 0.005 0.000 1.048 356 A HN 0.312 nan 8.150 nan 0.000 0.464 357 T N -1.218 113.346 114.554 0.016 0.000 3.043 357 T HA 0.347 4.697 4.350 -0.000 0.000 0.263 357 T C 0.803 175.522 174.700 0.031 0.000 1.094 357 T CA 1.164 63.276 62.100 0.020 0.000 1.127 357 T CB 0.119 68.998 68.868 0.019 0.000 0.905 357 T HN 1.426 nan 8.240 nan 0.000 0.490 358 S N -0.155 115.571 115.700 0.043 0.000 2.537 358 S HA 0.302 4.772 4.470 -0.000 0.000 0.270 358 S C -0.957 173.684 174.600 0.069 0.000 1.142 358 S CA -0.698 57.541 58.200 0.066 0.000 0.870 358 S CB 1.628 64.890 63.200 0.103 0.000 1.112 358 S HN 0.019 nan 8.310 nan 0.000 0.466 359 D N 1.320 121.765 120.400 0.075 0.000 2.371 359 D HA 0.060 4.700 4.640 -0.000 0.000 0.221 359 D C 0.908 177.266 176.300 0.097 0.000 0.986 359 D CA 0.773 54.813 54.000 0.066 0.000 0.899 359 D CB 0.002 40.836 40.800 0.057 0.000 0.902 359 D HN 0.574 nan 8.370 nan 0.000 0.530 360 Y N 0.814 121.114 120.300 0.000 0.000 2.301 360 Y HA -0.012 4.537 4.550 -0.001 0.000 0.295 360 Y C 1.235 177.130 175.900 -0.008 0.000 1.119 360 Y CA 1.129 59.229 58.100 -0.000 0.000 1.162 360 Y CB 0.202 38.663 38.460 0.002 0.000 1.046 360 Y HN -0.172 nan 8.280 nan 0.000 0.538 361 D N -0.520 119.916 120.400 0.061 0.000 2.149 361 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 361 D C 2.128 178.389 176.300 -0.066 0.000 0.972 361 D CA 0.930 54.917 54.000 -0.021 0.000 0.835 361 D CB -0.120 40.706 40.800 0.042 0.000 0.966 361 D HN 0.164 nan 8.370 nan 0.000 0.476 362 R N 0.561 121.040 120.500 -0.035 0.000 2.066 362 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 362 R C 2.074 178.336 176.300 -0.063 0.000 1.131 362 R CA 1.149 57.227 56.100 -0.037 0.000 0.955 362 R CB -0.033 30.259 30.300 -0.013 0.000 0.851 362 R HN 0.222 nan 8.270 nan 0.000 0.432 363 E N 0.347 120.498 120.200 -0.082 0.000 2.150 363 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 363 E C 1.651 178.160 176.600 -0.152 0.000 0.985 363 E CA 1.133 57.474 56.400 -0.098 0.000 0.814 363 E CB 0.209 29.859 29.700 -0.083 0.000 0.752 363 E HN 0.027 nan 8.360 nan 0.000 0.466 364 K N 0.222 120.478 120.400 -0.240 0.000 2.116 364 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 364 K C 2.079 178.585 176.600 -0.157 0.000 1.052 364 K CA 0.542 56.667 56.287 -0.269 0.000 0.952 364 K CB 0.034 32.272 32.500 -0.436 0.000 0.729 364 K HN 0.117 nan 8.250 nan 0.000 0.446 365 L N 0.176 121.327 121.223 -0.119 0.000 2.217 365 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 365 L C 2.373 179.207 176.870 -0.060 0.000 1.107 365 L CA 0.773 55.567 54.840 -0.077 0.000 0.783 365 L CB -0.240 41.784 42.059 -0.058 0.000 0.919 365 L HN 0.211 nan 8.230 nan 0.000 0.442 366 Q N 0.736 120.499 119.800 -0.061 0.000 2.079 366 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 366 Q C 1.977 177.953 176.000 -0.040 0.000 0.974 366 Q CA 1.585 57.362 55.803 -0.044 0.000 0.840 366 Q CB 0.009 28.723 28.738 -0.040 0.000 0.898 366 Q HN 0.407 nan 8.270 nan 0.000 0.430 367 E N -0.543 119.625 120.200 -0.052 0.000 2.160 367 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 367 E C 2.066 178.650 176.600 -0.028 0.000 0.991 367 E CA 0.870 57.247 56.400 -0.038 0.000 0.810 367 E CB -0.004 29.666 29.700 -0.051 0.000 0.742 367 E HN 0.248 nan 8.360 nan 0.000 0.466 368 R N -0.025 120.452 120.500 -0.038 0.000 2.075 368 R HA -0.062 4.277 4.340 -0.000 0.000 0.226 368 R C 2.393 178.682 176.300 -0.018 0.000 1.114 368 R CA 0.848 56.931 56.100 -0.029 0.000 0.972 368 R CB -0.061 30.214 30.300 -0.042 0.000 0.869 368 R HN 0.038 nan 8.270 nan 0.000 0.437 369 V N 1.169 121.070 119.914 -0.021 0.000 2.332 369 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 369 V C 2.439 178.528 176.094 -0.009 0.000 1.055 369 V CA 2.011 64.302 62.300 -0.015 0.000 1.038 369 V CB -0.858 30.955 31.823 -0.017 0.000 0.651 369 V HN 0.407 nan 8.190 nan 0.000 0.450 370 A N 0.247 123.061 122.820 -0.010 0.000 1.841 370 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 370 A C 2.304 179.890 177.584 0.002 0.000 1.199 370 A CA 2.118 54.152 52.037 -0.005 0.000 0.621 370 A CB -0.565 18.432 19.000 -0.006 0.000 0.835 370 A HN 0.468 nan 8.150 nan 0.000 0.445 371 K N -0.947 119.458 120.400 0.009 0.000 2.074 371 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 371 K C 1.938 178.549 176.600 0.019 0.000 1.048 371 K CA 1.421 57.721 56.287 0.022 0.000 0.926 371 K CB -0.709 31.817 32.500 0.042 0.000 0.713 371 K HN 0.398 nan 8.250 nan 0.000 0.444 372 L N 0.702 121.932 121.223 0.012 0.000 2.007 372 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 372 L C 2.190 179.063 176.870 0.005 0.000 1.073 372 L CA 1.944 56.790 54.840 0.010 0.000 0.744 372 L CB -0.833 41.229 42.059 0.004 0.000 0.898 372 L HN 0.142 nan 8.230 nan 0.000 0.435 373 A N -1.469 121.351 122.820 0.001 0.000 2.132 373 A HA 0.218 4.538 4.320 -0.000 0.000 0.213 373 A C 2.146 179.729 177.584 -0.002 0.000 1.154 373 A CA 0.768 52.804 52.037 -0.001 0.000 0.753 373 A CB -0.941 18.057 19.000 -0.003 0.000 0.826 373 A HN 0.484 nan 8.150 nan 0.000 0.469 374 G N -0.453 108.346 108.800 -0.001 0.000 2.408 374 G HA2 0.373 4.333 3.960 -0.000 0.000 0.215 374 G HA3 0.373 4.333 3.960 -0.000 0.000 0.215 374 G C 1.110 176.008 174.900 -0.002 0.000 1.156 374 G CA 0.671 45.770 45.100 -0.002 0.000 0.793 374 G HN 1.638 nan 8.290 nan 0.000 0.535 375 G N -1.698 107.102 108.800 -0.001 0.000 2.782 375 G HA2 0.019 3.979 3.960 -0.000 0.000 0.228 375 G HA3 0.019 3.979 3.960 -0.000 0.000 0.228 375 G C -0.703 174.192 174.900 -0.008 0.000 1.372 375 G CA -0.333 44.765 45.100 -0.003 0.000 0.862 375 G HN 0.982 nan 8.290 nan 0.000 0.547 376 V N 0.474 120.381 119.914 -0.012 0.000 2.531 376 V HA 0.733 4.853 4.120 -0.000 0.000 0.301 376 V C 0.752 176.834 176.094 -0.021 0.000 1.034 376 V CA -0.055 62.233 62.300 -0.019 0.000 0.865 376 V CB 1.374 33.182 31.823 -0.026 0.000 0.995 376 V HN 2.047 nan 8.190 nan 0.000 0.424 377 A N 4.665 127.471 122.820 -0.022 0.000 2.276 377 A HA 0.733 5.053 4.320 -0.000 0.000 0.300 377 A C -0.183 177.385 177.584 -0.026 0.000 1.235 377 A CA -0.398 51.626 52.037 -0.022 0.000 0.867 377 A CB 0.918 19.907 19.000 -0.020 0.000 1.137 377 A HN 1.411 nan 8.150 nan 0.000 0.527 378 V N 2.056 121.955 119.914 -0.025 0.000 2.435 378 V HA 0.728 4.848 4.120 -0.000 0.000 0.290 378 V C -0.346 175.733 176.094 -0.025 0.000 1.030 378 V CA -0.685 61.599 62.300 -0.027 0.000 0.881 378 V CB 1.001 32.807 31.823 -0.027 0.000 0.983 378 V HN 0.635 nan 8.190 nan 0.000 0.445 379 I N 5.078 125.632 120.570 -0.027 0.000 2.336 379 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 379 I C 0.223 176.326 176.117 -0.022 0.000 0.991 379 I CA -0.494 60.792 61.300 -0.023 0.000 1.227 379 I CB 1.551 39.536 38.000 -0.025 0.000 1.366 379 I HN 0.636 nan 8.210 nan 0.000 0.466 380 K N 5.973 126.362 120.400 -0.019 0.000 2.263 380 K HA 0.440 4.759 4.320 -0.000 0.000 0.272 380 K C -0.921 175.670 176.600 -0.015 0.000 1.033 380 K CA -0.669 55.607 56.287 -0.018 0.000 0.884 380 K CB 2.134 34.624 32.500 -0.016 0.000 1.107 380 K HN 0.302 nan 8.250 nan 0.000 0.460 381 V N 3.005 122.910 119.914 -0.015 0.000 2.408 381 V HA 0.171 4.291 4.120 -0.000 0.000 0.267 381 V C 0.787 176.874 176.094 -0.011 0.000 1.047 381 V CA -0.481 61.811 62.300 -0.013 0.000 0.937 381 V CB 0.921 32.736 31.823 -0.013 0.000 0.999 381 V HN 0.891 nan 8.190 nan 0.000 0.472 382 G N 3.585 112.379 108.800 -0.010 0.000 2.448 382 G HA2 0.749 4.708 3.960 -0.000 0.000 0.285 382 G HA3 0.749 4.708 3.960 -0.000 0.000 0.285 382 G C -0.361 174.534 174.900 -0.008 0.000 1.176 382 G CA 0.279 45.374 45.100 -0.009 0.000 0.852 382 G HN 1.199 nan 8.290 nan 0.000 0.530 383 A N -0.148 122.667 122.820 -0.007 0.000 2.586 383 A HA 0.791 5.111 4.320 -0.000 0.000 0.290 383 A C 0.696 178.276 177.584 -0.006 0.000 1.086 383 A CA 0.362 52.395 52.037 -0.007 0.000 0.665 383 A CB 0.519 19.515 19.000 -0.006 0.000 1.279 383 A HN 1.728 nan 8.150 nan 0.000 0.423 384 A N -0.342 122.474 122.820 -0.006 0.000 1.855 384 A HA 0.431 4.751 4.320 -0.000 0.000 0.213 384 A C 1.409 178.990 177.584 -0.005 0.000 1.195 384 A CA 2.292 54.326 52.037 -0.005 0.000 0.610 384 A CB -0.643 18.354 19.000 -0.005 0.000 0.837 384 A HN 1.858 nan 8.150 nan 0.000 0.444 385 T N -2.293 112.258 114.554 -0.005 0.000 2.940 385 T HA 0.360 4.709 4.350 -0.000 0.000 0.288 385 T C 0.721 175.418 174.700 -0.005 0.000 1.033 385 T CA -0.001 62.096 62.100 -0.005 0.000 1.033 385 T CB 1.636 70.501 68.868 -0.004 0.000 1.079 385 T HN 0.376 nan 8.240 nan 0.000 0.496 386 E N 1.099 121.296 120.200 -0.005 0.000 2.153 386 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 386 E C 1.898 178.495 176.600 -0.005 0.000 0.988 386 E CA 1.186 57.583 56.400 -0.005 0.000 0.811 386 E CB -0.031 29.666 29.700 -0.005 0.000 0.746 386 E HN 0.572 nan 8.360 nan 0.000 0.466 387 V N 0.936 120.847 119.914 -0.004 0.000 2.270 387 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 387 V C 2.340 178.431 176.094 -0.004 0.000 1.043 387 V CA 2.106 64.404 62.300 -0.004 0.000 1.014 387 V CB -0.640 31.181 31.823 -0.003 0.000 0.645 387 V HN 0.310 nan 8.190 nan 0.000 0.447 388 E N -0.467 119.730 120.200 -0.004 0.000 2.070 388 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 388 E C 2.269 178.866 176.600 -0.005 0.000 1.004 388 E CA 1.772 58.169 56.400 -0.005 0.000 0.805 388 E CB -0.138 29.559 29.700 -0.005 0.000 0.744 388 E HN 0.434 nan 8.360 nan 0.000 0.451 389 M N 0.676 120.273 119.600 -0.005 0.000 2.126 389 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 389 M C 1.931 178.228 176.300 -0.006 0.000 1.073 389 M CA 1.787 57.084 55.300 -0.006 0.000 1.103 389 M CB -0.344 32.252 32.600 -0.007 0.000 1.284 389 M HN -0.064 nan 8.290 nan 0.000 0.420 390 K N -0.441 119.956 120.400 -0.006 0.000 2.515 390 K HA -0.128 4.191 4.320 -0.000 0.000 0.196 390 K C 1.812 178.410 176.600 -0.004 0.000 1.038 390 K CA 0.458 56.742 56.287 -0.005 0.000 0.967 390 K CB 0.042 32.539 32.500 -0.005 0.000 0.780 390 K HN 0.338 nan 8.250 nan 0.000 0.483 391 E N 1.453 121.651 120.200 -0.004 0.000 2.057 391 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 391 E C 1.757 178.355 176.600 -0.003 0.000 0.969 391 E CA 0.964 57.363 56.400 -0.003 0.000 0.812 391 E CB 0.227 29.925 29.700 -0.003 0.000 0.777 391 E HN 0.096 nan 8.360 nan 0.000 0.455 392 K N 1.100 121.498 120.400 -0.004 0.000 2.032 392 K HA -0.171 4.148 4.320 -0.000 0.000 0.209 392 K C 2.285 178.882 176.600 -0.006 0.000 1.048 392 K CA 1.420 57.704 56.287 -0.005 0.000 0.927 392 K CB -0.099 32.397 32.500 -0.006 0.000 0.712 392 K HN -0.090 nan 8.250 nan 0.000 0.441 393 K N 0.117 120.513 120.400 -0.007 0.000 2.127 393 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 393 K C 1.865 178.461 176.600 -0.007 0.000 1.047 393 K CA 1.485 57.767 56.287 -0.009 0.000 0.927 393 K CB -0.142 32.353 32.500 -0.010 0.000 0.716 393 K HN 0.247 nan 8.250 nan 0.000 0.450 394 A N 0.960 123.779 122.820 -0.002 0.000 1.897 394 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 394 A C 2.070 179.659 177.584 0.009 0.000 1.181 394 A CA 1.127 53.166 52.037 0.004 0.000 0.620 394 A CB -0.304 18.699 19.000 0.006 0.000 0.821 394 A HN 0.297 nan 8.150 nan 0.000 0.443 395 R N -0.705 119.798 120.500 0.005 0.000 2.115 395 R HA -0.021 4.318 4.340 -0.000 0.000 0.226 395 R C 1.952 178.255 176.300 0.005 0.000 1.100 395 R CA 1.145 57.250 56.100 0.007 0.000 0.980 395 R CB -0.340 29.962 30.300 0.003 0.000 0.875 395 R HN 0.383 nan 8.270 nan 0.000 0.445 396 V N 1.032 120.944 119.914 -0.003 0.000 2.295 396 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 396 V C 1.883 177.966 176.094 -0.018 0.000 1.049 396 V CA 1.869 64.163 62.300 -0.010 0.000 1.024 396 V CB -0.369 31.444 31.823 -0.016 0.000 0.648 396 V HN 0.335 nan 8.190 nan 0.000 0.447 397 E N -0.302 119.886 120.200 -0.021 0.000 2.110 397 E HA -0.218 4.131 4.350 -0.000 0.000 0.193 397 E C 2.012 178.612 176.600 0.000 0.000 0.988 397 E CA 1.308 57.681 56.400 -0.044 0.000 0.804 397 E CB -0.137 29.543 29.700 -0.035 0.000 0.745 397 E HN 0.587 nan 8.360 nan 0.000 0.458 398 D N 0.158 120.588 120.400 0.049 0.000 2.084 398 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 398 D C 1.914 178.267 176.300 0.088 0.000 0.990 398 D CA 1.374 55.431 54.000 0.094 0.000 0.826 398 D CB -0.188 40.644 40.800 0.054 0.000 0.971 398 D HN 0.165 nan 8.370 nan 0.000 0.453 399 A N 0.937 123.782 122.820 0.042 0.000 1.858 399 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 399 A C 2.337 179.940 177.584 0.032 0.000 1.190 399 A CA 1.045 53.100 52.037 0.032 0.000 0.617 399 A CB -0.983 18.024 19.000 0.013 0.000 0.827 399 A HN 0.243 nan 8.150 nan 0.000 0.443 400 L N -1.056 120.168 121.223 0.002 0.000 2.021 400 L HA -0.301 4.038 4.340 -0.000 0.000 0.215 400 L C 2.612 179.484 176.870 0.003 0.000 1.074 400 L CA 2.345 57.169 54.840 -0.027 0.000 0.760 400 L CB -0.478 41.530 42.059 -0.085 0.000 0.889 400 L HN 0.523 nan 8.230 nan 0.000 0.433 401 H N -0.468 118.599 119.070 -0.005 0.000 2.265 401 H HA -0.185 4.371 4.556 -0.001 0.000 0.295 401 H C 2.157 177.485 175.328 -0.001 0.000 1.084 401 H CA 1.772 57.819 56.048 -0.003 0.000 1.261 401 H CB -0.594 29.166 29.762 -0.004 0.000 1.360 401 H HN 0.535 nan 8.280 nan 0.000 0.487 402 A N -0.105 122.804 122.820 0.147 0.000 1.978 402 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 402 A C 2.601 180.217 177.584 0.054 0.000 1.170 402 A CA 2.154 54.234 52.037 0.072 0.000 0.636 402 A CB -0.709 18.319 19.000 0.046 0.000 0.810 402 A HN 0.519 nan 8.150 nan 0.000 0.448 403 T N -0.722 113.861 114.554 0.049 0.000 2.851 403 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 403 T C 2.049 176.767 174.700 0.031 0.000 1.043 403 T CA 1.138 63.256 62.100 0.030 0.000 1.140 403 T CB -0.196 68.683 68.868 0.018 0.000 0.872 403 T HN 0.482 nan 8.240 nan 0.000 0.446 404 R N 1.002 121.525 120.500 0.039 0.000 2.105 404 R HA -0.001 4.339 4.340 -0.000 0.000 0.239 404 R C 2.756 179.082 176.300 0.043 0.000 1.135 404 R CA 1.361 57.483 56.100 0.038 0.000 0.967 404 R CB -0.434 29.893 30.300 0.045 0.000 0.861 404 R HN 0.386 nan 8.270 nan 0.000 0.442 405 A N 0.740 123.592 122.820 0.055 0.000 1.968 405 A HA -0.012 4.307 4.320 -0.000 0.000 0.217 405 A C 2.275 179.878 177.584 0.032 0.000 1.169 405 A CA 1.393 53.457 52.037 0.044 0.000 0.638 405 A CB -0.367 18.660 19.000 0.044 0.000 0.812 405 A HN 0.388 nan 8.150 nan 0.000 0.446 406 A N -0.425 122.413 122.820 0.029 0.000 1.930 406 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 406 A C 2.188 179.784 177.584 0.020 0.000 1.175 406 A CA 1.585 53.635 52.037 0.023 0.000 0.627 406 A CB -0.822 18.190 19.000 0.021 0.000 0.815 406 A HN 0.334 nan 8.150 nan 0.000 0.443 407 V N 0.224 120.150 119.914 0.021 0.000 2.255 407 V HA -0.305 3.814 4.120 -0.000 0.000 0.247 407 V C 2.425 178.530 176.094 0.018 0.000 1.051 407 V CA 2.397 64.707 62.300 0.017 0.000 1.018 407 V CB -0.949 30.884 31.823 0.016 0.000 0.641 407 V HN 0.636 nan 8.190 nan 0.000 0.445 408 E N -0.181 120.031 120.200 0.021 0.000 2.058 408 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 408 E C 1.709 178.321 176.600 0.020 0.000 0.997 408 E CA 1.658 58.071 56.400 0.021 0.000 0.801 408 E CB -0.029 29.687 29.700 0.026 0.000 0.746 408 E HN 0.712 nan 8.360 nan 0.000 0.450 409 E N -1.057 119.155 120.200 0.020 0.000 2.676 409 E HA 0.243 4.593 4.350 -0.000 0.000 0.225 409 E C 0.298 176.908 176.600 0.018 0.000 0.944 409 E CA 0.156 56.567 56.400 0.019 0.000 1.156 409 E CB 1.698 31.410 29.700 0.020 0.000 1.117 409 E HN 0.214 nan 8.360 nan 0.000 0.523 410 G N 1.542 110.353 108.800 0.018 0.000 2.728 410 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.294 410 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.294 410 G C -0.243 174.667 174.900 0.018 0.000 1.342 410 G CA -0.457 44.654 45.100 0.017 0.000 0.866 410 G HN 0.477 nan 8.290 nan 0.000 0.534 411 V N -2.259 117.665 119.914 0.017 0.000 3.019 411 V HA 1.001 5.120 4.120 -0.000 0.000 0.317 411 V C 0.728 176.833 176.094 0.018 0.000 1.094 411 V CA 0.295 62.605 62.300 0.017 0.000 1.000 411 V CB 1.323 33.155 31.823 0.015 0.000 1.060 411 V HN 2.542 nan 8.190 nan 0.000 0.443 412 V N -1.130 118.796 119.914 0.019 0.000 3.181 412 V HA 0.987 5.107 4.120 -0.000 0.000 0.307 412 V C 0.327 176.434 176.094 0.021 0.000 1.310 412 V CA -0.796 61.517 62.300 0.022 0.000 1.067 412 V CB 1.103 32.940 31.823 0.024 0.000 1.081 412 V HN 2.178 nan 8.190 nan 0.000 0.453 413 A N 0.278 123.114 122.820 0.027 0.000 2.548 413 A HA 0.524 4.844 4.320 -0.000 0.000 0.247 413 A C 1.292 178.888 177.584 0.019 0.000 1.067 413 A CA 0.555 52.607 52.037 0.025 0.000 0.757 413 A CB -0.154 18.869 19.000 0.038 0.000 0.996 413 A HN 2.106 nan 8.150 nan 0.000 0.504 414 G N 1.691 110.496 108.800 0.008 0.000 3.042 414 G HA2 0.289 4.248 3.960 -0.000 0.000 0.212 414 G HA3 0.289 4.248 3.960 -0.000 0.000 0.212 414 G C 0.849 175.751 174.900 0.003 0.000 1.166 414 G CA 0.720 45.822 45.100 0.004 0.000 0.767 414 G HN 1.123 nan 8.290 nan 0.000 0.546 415 G N -0.561 108.244 108.800 0.008 0.000 3.371 415 G HA2 0.412 4.372 3.960 -0.000 0.000 0.248 415 G HA3 0.412 4.372 3.960 -0.000 0.000 0.248 415 G C 1.199 176.119 174.900 0.032 0.000 1.161 415 G CA 0.284 45.391 45.100 0.011 0.000 0.796 415 G HN 1.116 nan 8.290 nan 0.000 0.539 416 G N -0.681 108.136 108.800 0.029 0.000 2.299 416 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.237 416 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.237 416 G C 1.480 176.405 174.900 0.042 0.000 1.027 416 G CA 0.580 45.702 45.100 0.036 0.000 0.619 416 G HN 0.626 nan 8.290 nan 0.000 0.513 417 V N 1.581 121.523 119.914 0.048 0.000 2.236 417 V HA -0.207 3.912 4.120 -0.000 0.000 0.255 417 V C 3.384 179.508 176.094 0.051 0.000 1.068 417 V CA 3.682 66.015 62.300 0.056 0.000 1.044 417 V CB -1.581 30.274 31.823 0.054 0.000 0.653 417 V HN 1.394 nan 8.190 nan 0.000 0.448 418 A N -0.367 122.478 122.820 0.041 0.000 1.892 418 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 418 A C 2.216 179.821 177.584 0.035 0.000 1.188 418 A CA 2.120 54.179 52.037 0.038 0.000 0.631 418 A CB -0.563 18.456 19.000 0.031 0.000 0.822 418 A HN 0.424 nan 8.150 nan 0.000 0.447 419 L N -0.447 120.796 121.223 0.033 0.000 2.017 419 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 419 L C 2.538 179.427 176.870 0.032 0.000 1.073 419 L CA 1.416 56.274 54.840 0.030 0.000 0.745 419 L CB -1.082 40.994 42.059 0.028 0.000 0.894 419 L HN 0.354 nan 8.230 nan 0.000 0.432 420 I N -0.212 120.381 120.570 0.038 0.000 2.264 420 I HA -0.318 3.851 4.170 -0.000 0.000 0.248 420 I C 2.729 178.870 176.117 0.041 0.000 1.111 420 I CA 1.112 62.436 61.300 0.040 0.000 1.382 420 I CB -0.429 37.601 38.000 0.050 0.000 1.060 420 I HN 0.317 nan 8.210 nan 0.000 0.418 421 R N 1.124 121.652 120.500 0.046 0.000 2.061 421 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 421 R C 2.346 178.666 176.300 0.033 0.000 1.140 421 R CA 2.330 58.458 56.100 0.046 0.000 0.940 421 R CB -0.681 29.651 30.300 0.053 0.000 0.839 421 R HN 0.284 nan 8.270 nan 0.000 0.429 422 V N -0.955 118.977 119.914 0.029 0.000 2.469 422 V HA -0.113 4.007 4.120 -0.000 0.000 0.251 422 V C 2.164 178.269 176.094 0.019 0.000 1.064 422 V CA 1.825 64.139 62.300 0.023 0.000 1.066 422 V CB -1.252 30.584 31.823 0.020 0.000 0.667 422 V HN 0.415 nan 8.190 nan 0.000 0.461 423 A N 1.552 124.385 122.820 0.021 0.000 1.873 423 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 423 A C 2.608 180.202 177.584 0.016 0.000 1.186 423 A CA 2.479 54.526 52.037 0.017 0.000 0.616 423 A CB -1.092 17.919 19.000 0.018 0.000 0.823 423 A HN 1.005 nan 8.150 nan 0.000 0.442 424 S N -0.499 115.212 115.700 0.018 0.000 2.481 424 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 424 S C 1.765 176.372 174.600 0.012 0.000 0.996 424 S CA 1.160 59.369 58.200 0.015 0.000 0.942 424 S CB -0.244 62.967 63.200 0.018 0.000 0.768 424 S HN 0.541 nan 8.310 nan 0.000 0.520 425 K N 1.233 121.642 120.400 0.014 0.000 1.991 425 K HA 0.050 4.370 4.320 -0.000 0.000 0.207 425 K C 1.016 177.620 176.600 0.008 0.000 1.045 425 K CA 1.245 57.538 56.287 0.011 0.000 0.937 425 K CB -0.565 31.942 32.500 0.013 0.000 0.720 425 K HN 0.522 nan 8.250 nan 0.000 0.438 426 L N -0.134 121.094 121.223 0.009 0.000 2.873 426 L HA 0.316 4.656 4.340 -0.000 0.000 0.236 426 L C 0.856 177.729 176.870 0.006 0.000 1.375 426 L CA -0.186 54.657 54.840 0.006 0.000 1.239 426 L CB 0.240 42.302 42.059 0.006 0.000 1.603 426 L HN -0.098 nan 8.230 nan 0.000 0.430 427 A N -1.274 121.550 122.820 0.005 0.000 2.415 427 A HA 0.184 4.504 4.320 -0.000 0.000 0.248 427 A C 1.120 178.705 177.584 0.003 0.000 1.299 427 A CA 0.000 52.040 52.037 0.004 0.000 0.899 427 A CB -0.152 18.851 19.000 0.005 0.000 0.997 427 A HN 0.424 nan 8.150 nan 0.000 0.506 428 D N -0.983 119.418 120.400 0.003 0.000 2.423 428 D HA 0.107 4.747 4.640 -0.000 0.000 0.208 428 D C 0.379 176.680 176.300 0.002 0.000 1.068 428 D CA -0.169 53.832 54.000 0.002 0.000 0.860 428 D CB 0.027 40.828 40.800 0.001 0.000 0.992 428 D HN 0.301 nan 8.370 nan 0.000 0.504 429 L N 2.307 123.531 121.223 0.002 0.000 2.653 429 L HA -0.085 4.254 4.340 -0.000 0.000 0.288 429 L C 0.429 177.300 176.870 0.002 0.000 1.243 429 L CA 0.898 55.739 54.840 0.002 0.000 0.906 429 L CB 0.043 42.104 42.059 0.003 0.000 1.154 429 L HN -0.119 nan 8.230 nan 0.000 0.498 430 R N 3.142 123.643 120.500 0.001 0.000 2.892 430 R HA 0.740 5.080 4.340 -0.000 0.000 0.265 430 R C -0.027 176.274 176.300 0.001 0.000 1.025 430 R CA -0.310 55.790 56.100 0.001 0.000 0.982 430 R CB 1.424 31.724 30.300 0.001 0.000 1.185 430 R HN 0.776 nan 8.270 nan 0.000 0.484 431 G N -0.008 108.792 108.800 0.001 0.000 3.122 431 G HA2 0.297 4.257 3.960 -0.000 0.000 0.180 431 G HA3 0.297 4.257 3.960 -0.000 0.000 0.180 431 G C -0.149 174.751 174.900 0.001 0.000 1.279 431 G CA -0.102 44.999 45.100 0.001 0.000 0.987 431 G HN 0.359 nan 8.290 nan 0.000 0.589 432 Q N -0.566 119.235 119.800 0.001 0.000 2.389 432 Q HA 0.157 4.497 4.340 -0.000 0.000 0.201 432 Q C 1.126 177.127 176.000 0.001 0.000 0.956 432 Q CA 0.009 55.812 55.803 0.001 0.000 0.871 432 Q CB -0.178 28.560 28.738 0.000 0.000 0.990 432 Q HN 0.542 nan 8.270 nan 0.000 0.554 433 N N 1.547 120.248 118.700 0.001 0.000 2.454 433 N HA -0.097 4.643 4.740 -0.000 0.000 0.260 433 N C 0.672 176.183 175.510 0.001 0.000 1.218 433 N CA -0.062 52.989 53.050 0.001 0.000 0.904 433 N CB 0.564 39.052 38.487 0.001 0.000 1.065 433 N HN 0.268 nan 8.380 nan 0.000 0.462 434 E N 2.530 122.731 120.200 0.001 0.000 2.208 434 E HA -0.313 4.037 4.350 -0.000 0.000 0.202 434 E C 0.485 177.086 176.600 0.002 0.000 1.014 434 E CA 1.783 58.184 56.400 0.001 0.000 0.819 434 E CB 0.149 29.850 29.700 0.001 0.000 0.735 434 E HN 0.604 nan 8.360 nan 0.000 0.469 435 D N -0.112 120.289 120.400 0.002 0.000 2.178 435 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 435 D C 1.795 178.097 176.300 0.002 0.000 0.974 435 D CA 0.886 54.887 54.000 0.002 0.000 0.841 435 D CB -0.091 40.711 40.800 0.003 0.000 0.953 435 D HN 0.402 nan 8.370 nan 0.000 0.478 436 Q N -0.061 119.741 119.800 0.002 0.000 2.187 436 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 436 Q C 1.740 177.741 176.000 0.002 0.000 0.957 436 Q CA 0.421 56.225 55.803 0.002 0.000 0.857 436 Q CB 0.157 28.896 28.738 0.001 0.000 0.929 436 Q HN 0.183 nan 8.270 nan 0.000 0.453 437 N N 0.245 118.946 118.700 0.002 0.000 2.018 437 N HA -0.166 4.574 4.740 -0.000 0.000 0.196 437 N C 1.880 177.391 175.510 0.003 0.000 1.043 437 N CA 1.409 54.460 53.050 0.002 0.000 0.856 437 N CB -0.667 37.821 38.487 0.002 0.000 1.042 437 N HN 0.034 nan 8.380 nan 0.000 0.423 438 V N 1.032 120.947 119.914 0.003 0.000 2.317 438 V HA -0.245 3.874 4.120 -0.000 0.000 0.251 438 V C 2.441 178.537 176.094 0.004 0.000 1.065 438 V CA 2.133 64.434 62.300 0.003 0.000 1.049 438 V CB -1.461 30.364 31.823 0.003 0.000 0.651 438 V HN 0.412 nan 8.190 nan 0.000 0.450 439 G N 0.195 108.997 108.800 0.004 0.000 2.514 439 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 439 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 439 G C 1.535 176.437 174.900 0.004 0.000 1.198 439 G CA 1.409 46.512 45.100 0.004 0.000 0.780 439 G HN 0.520 nan 8.290 nan 0.000 0.565 440 I N 0.502 121.074 120.570 0.003 0.000 2.163 440 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 440 I C 2.830 178.949 176.117 0.005 0.000 1.085 440 I CA 1.436 62.738 61.300 0.003 0.000 1.347 440 I CB -0.222 37.779 38.000 0.003 0.000 1.044 440 I HN 0.094 nan 8.210 nan 0.000 0.408 441 K N 0.513 120.915 120.400 0.004 0.000 2.009 441 K HA -0.160 4.159 4.320 -0.000 0.000 0.210 441 K C 2.183 178.787 176.600 0.006 0.000 1.049 441 K CA 1.565 57.855 56.287 0.005 0.000 0.929 441 K CB -0.495 32.007 32.500 0.004 0.000 0.714 441 K HN 0.107 nan 8.250 nan 0.000 0.440 442 V N 1.579 121.496 119.914 0.006 0.000 2.250 442 V HA -0.364 3.756 4.120 -0.000 0.000 0.253 442 V C 2.416 178.515 176.094 0.008 0.000 1.065 442 V CA 2.303 64.607 62.300 0.007 0.000 1.039 442 V CB -0.775 31.052 31.823 0.007 0.000 0.647 442 V HN 0.463 nan 8.190 nan 0.000 0.446 443 A N -0.952 121.872 122.820 0.008 0.000 1.877 443 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 443 A C 2.223 179.813 177.584 0.010 0.000 1.186 443 A CA 1.961 54.003 52.037 0.009 0.000 0.620 443 A CB -0.557 18.447 19.000 0.007 0.000 0.822 443 A HN 0.495 nan 8.150 nan 0.000 0.443 444 L N -1.019 120.210 121.223 0.009 0.000 2.012 444 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 444 L C 2.874 179.751 176.870 0.011 0.000 1.073 444 L CA 1.936 56.782 54.840 0.010 0.000 0.748 444 L CB -0.432 41.632 42.059 0.009 0.000 0.891 444 L HN 0.508 nan 8.230 nan 0.000 0.431 445 R N 0.211 120.717 120.500 0.010 0.000 2.148 445 R HA -0.114 4.226 4.340 -0.000 0.000 0.223 445 R C 2.167 178.474 176.300 0.012 0.000 1.088 445 R CA 1.058 57.164 56.100 0.011 0.000 0.985 445 R CB -0.095 30.210 30.300 0.008 0.000 0.880 445 R HN 0.324 nan 8.270 nan 0.000 0.451 446 A N 0.897 123.724 122.820 0.013 0.000 2.019 446 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 446 A C 2.042 179.636 177.584 0.017 0.000 1.164 446 A CA 1.201 53.246 52.037 0.014 0.000 0.644 446 A CB -0.320 18.689 19.000 0.015 0.000 0.805 446 A HN 0.357 nan 8.150 nan 0.000 0.449 447 M N -0.556 119.054 119.600 0.017 0.000 2.476 447 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 447 M C 1.302 177.615 176.300 0.022 0.000 1.079 447 M CA 0.883 56.195 55.300 0.020 0.000 1.104 447 M CB -0.241 32.370 32.600 0.019 0.000 1.409 447 M HN 0.460 nan 8.290 nan 0.000 0.467 448 E N 0.612 120.824 120.200 0.021 0.000 2.435 448 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 448 E C 2.043 178.656 176.600 0.023 0.000 1.029 448 E CA 0.482 56.896 56.400 0.023 0.000 0.865 448 E CB 0.013 29.724 29.700 0.019 0.000 0.833 448 E HN 0.476 nan 8.360 nan 0.000 0.510 449 A N 2.683 125.515 122.820 0.020 0.000 1.859 449 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 449 A C -0.218 177.379 177.584 0.022 0.000 1.198 449 A CA 1.391 53.439 52.037 0.019 0.000 0.629 449 A CB -1.538 17.472 19.000 0.018 0.000 0.830 449 A HN 0.131 nan 8.150 nan 0.000 0.446 450 P HA -0.161 nan 4.420 nan 0.000 0.214 450 P C 1.782 179.101 177.300 0.032 0.000 1.163 450 P CA 1.165 64.280 63.100 0.025 0.000 0.889 450 P CB -0.110 31.604 31.700 0.024 0.000 0.790 451 L N -0.541 120.705 121.223 0.038 0.000 1.989 451 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 451 L C 2.456 179.354 176.870 0.047 0.000 1.071 451 L CA 1.954 56.825 54.840 0.053 0.000 0.749 451 L CB -0.779 41.317 42.059 0.061 0.000 0.890 451 L HN -0.277 nan 8.230 nan 0.000 0.431 452 R N -0.936 119.583 120.500 0.032 0.000 2.113 452 R HA -0.265 4.075 4.340 -0.000 0.000 0.244 452 R C 2.395 178.709 176.300 0.024 0.000 1.142 452 R CA 2.028 58.141 56.100 0.022 0.000 0.953 452 R CB -0.454 29.855 30.300 0.015 0.000 0.860 452 R HN 0.463 nan 8.270 nan 0.000 0.438 453 Q N 0.456 120.271 119.800 0.024 0.000 2.046 453 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 453 Q C 1.857 177.874 176.000 0.028 0.000 0.975 453 Q CA 1.557 57.373 55.803 0.022 0.000 0.836 453 Q CB -0.076 28.673 28.738 0.018 0.000 0.896 453 Q HN 0.289 nan 8.270 nan 0.000 0.428 454 I N -0.254 120.338 120.570 0.037 0.000 2.118 454 I HA -0.288 3.881 4.170 -0.000 0.000 0.241 454 I C 2.159 178.313 176.117 0.062 0.000 1.070 454 I CA 1.246 62.572 61.300 0.044 0.000 1.327 454 I CB -1.133 36.899 38.000 0.052 0.000 1.034 454 I HN 0.115 nan 8.210 nan 0.000 0.405 455 V N 0.891 120.853 119.914 0.081 0.000 2.332 455 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 455 V C 2.540 178.663 176.094 0.048 0.000 1.055 455 V CA 1.713 64.065 62.300 0.088 0.000 1.038 455 V CB -0.615 31.228 31.823 0.034 0.000 0.651 455 V HN 0.327 nan 8.190 nan 0.000 0.450 456 L N 0.576 121.818 121.223 0.031 0.000 2.027 456 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 456 L C 2.245 179.127 176.870 0.020 0.000 1.074 456 L CA 1.901 56.753 54.840 0.019 0.000 0.745 456 L CB -0.836 41.231 42.059 0.014 0.000 0.898 456 L HN 0.299 nan 8.230 nan 0.000 0.433 457 N N -0.667 118.045 118.700 0.021 0.000 2.137 457 N HA -0.224 4.515 4.740 -0.000 0.000 0.190 457 N C 1.799 177.321 175.510 0.019 0.000 1.017 457 N CA 1.864 54.924 53.050 0.017 0.000 0.859 457 N CB -0.979 37.517 38.487 0.015 0.000 1.002 457 N HN 0.450 nan 8.380 nan 0.000 0.428 458 C N -0.818 118.499 119.300 0.030 0.000 2.456 458 C HA 0.204 4.664 4.460 -0.000 0.000 0.279 458 C C 1.737 176.745 174.990 0.030 0.000 1.427 458 C CA 0.470 59.507 59.018 0.033 0.000 1.778 458 C CB -1.241 26.536 27.740 0.062 0.000 1.842 458 C HN 0.664 nan 8.230 nan 0.000 0.531 459 G N 0.772 109.588 108.800 0.026 0.000 2.132 459 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.234 459 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.234 459 G C -0.236 174.676 174.900 0.019 0.000 0.989 459 G CA 0.167 45.278 45.100 0.019 0.000 0.676 459 G HN 0.592 nan 8.290 nan 0.000 0.522 460 E N 0.437 120.652 120.200 0.025 0.000 2.239 460 E HA 0.414 4.764 4.350 -0.000 0.000 0.261 460 E C -0.059 176.535 176.600 -0.009 0.000 1.016 460 E CA -0.867 55.539 56.400 0.010 0.000 0.882 460 E CB 1.024 30.732 29.700 0.013 0.000 1.190 460 E HN 0.357 nan 8.360 nan 0.000 0.415 461 E N 1.762 121.947 120.200 -0.025 0.000 2.366 461 E HA 0.034 4.384 4.350 -0.000 0.000 0.266 461 E C -1.724 174.849 176.600 -0.046 0.000 1.015 461 E CA -1.267 55.116 56.400 -0.029 0.000 0.906 461 E CB 0.728 30.411 29.700 -0.029 0.000 0.979 461 E HN 0.244 nan 8.360 nan 0.000 0.443 462 P HA -0.147 nan 4.420 nan 0.000 0.211 462 P C 1.564 178.845 177.300 -0.031 0.000 1.191 462 P CA 1.195 64.279 63.100 -0.027 0.000 0.909 462 P CB 0.001 31.696 31.700 -0.008 0.000 0.770 463 S N -0.268 115.420 115.700 -0.019 0.000 2.408 463 S HA -0.236 4.234 4.470 -0.000 0.000 0.241 463 S C 2.028 176.613 174.600 -0.026 0.000 1.080 463 S CA 2.307 60.497 58.200 -0.017 0.000 1.109 463 S CB -2.036 61.157 63.200 -0.012 0.000 0.966 463 S HN -0.048 nan 8.310 nan 0.000 0.449 464 V N 1.260 121.153 119.914 -0.034 0.000 2.283 464 V HA -0.088 4.032 4.120 -0.000 0.000 0.243 464 V C 2.705 178.767 176.094 -0.053 0.000 1.039 464 V CA 1.610 63.886 62.300 -0.039 0.000 1.016 464 V CB -0.735 31.069 31.823 -0.032 0.000 0.650 464 V HN 0.488 nan 8.190 nan 0.000 0.449 465 V N 0.264 120.120 119.914 -0.095 0.000 2.343 465 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 465 V C 2.685 178.760 176.094 -0.031 0.000 1.051 465 V CA 1.981 64.208 62.300 -0.122 0.000 1.036 465 V CB -1.044 30.533 31.823 -0.410 0.000 0.654 465 V HN 0.558 nan 8.190 nan 0.000 0.451 466 A N 0.792 123.596 122.820 -0.026 0.000 1.851 466 A HA -0.342 3.978 4.320 -0.000 0.000 0.216 466 A C 2.065 179.652 177.584 0.005 0.000 1.195 466 A CA 2.541 54.581 52.037 0.006 0.000 0.622 466 A CB -1.033 17.970 19.000 0.004 0.000 0.831 466 A HN 0.687 nan 8.150 nan 0.000 0.444 467 N N -0.411 118.281 118.700 -0.012 0.000 2.061 467 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 467 N C 1.792 177.286 175.510 -0.026 0.000 1.030 467 N CA 3.330 56.370 53.050 -0.017 0.000 0.856 467 N CB -0.555 37.918 38.487 -0.024 0.000 1.023 467 N HN 0.514 nan 8.380 nan 0.000 0.424 468 T N -2.088 112.428 114.554 -0.063 0.000 2.904 468 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 468 T C 1.923 176.612 174.700 -0.019 0.000 1.059 468 T CA 1.227 63.257 62.100 -0.116 0.000 1.137 468 T CB -0.692 67.986 68.868 -0.318 0.000 0.879 468 T HN 0.034 nan 8.240 nan 0.000 0.467 469 V N 1.973 121.912 119.914 0.041 0.000 2.295 469 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 469 V C 2.870 179.048 176.094 0.141 0.000 1.049 469 V CA 1.978 64.363 62.300 0.141 0.000 1.024 469 V CB -0.551 31.354 31.823 0.137 0.000 0.648 469 V HN 0.539 nan 8.190 nan 0.000 0.447 470 K N 0.271 120.715 120.400 0.074 0.000 2.152 470 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 470 K C 2.150 178.771 176.600 0.036 0.000 1.048 470 K CA 1.516 57.833 56.287 0.050 0.000 0.933 470 K CB -0.668 31.848 32.500 0.026 0.000 0.721 470 K HN 0.582 nan 8.250 nan 0.000 0.447 471 G N 1.093 109.906 108.800 0.023 0.000 2.498 471 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.219 471 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.219 471 G C 0.833 175.706 174.900 -0.044 0.000 1.119 471 G CA 0.771 45.862 45.100 -0.015 0.000 0.766 471 G HN 0.373 nan 8.290 nan 0.000 0.552 472 G N -1.019 107.783 108.800 0.003 0.000 2.630 472 G HA2 0.513 4.473 3.960 -0.000 0.000 0.223 472 G HA3 0.513 4.473 3.960 -0.000 0.000 0.223 472 G C -0.923 173.961 174.900 -0.026 0.000 1.434 472 G CA -0.413 44.630 45.100 -0.096 0.000 1.057 472 G HN 0.150 nan 8.290 nan 0.000 0.570 473 D N -2.117 118.275 120.400 -0.012 0.000 2.583 473 D HA 0.483 5.122 4.640 -0.000 0.000 0.248 473 D C 0.788 177.131 176.300 0.072 0.000 1.209 473 D CA 0.558 54.570 54.000 0.020 0.000 0.848 473 D CB 1.877 42.664 40.800 -0.021 0.000 1.431 473 D HN 0.863 nan 8.370 nan 0.000 0.436 474 G N 1.482 110.317 108.800 0.058 0.000 2.634 474 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.309 474 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.309 474 G C 0.367 175.324 174.900 0.095 0.000 1.265 474 G CA 0.171 45.310 45.100 0.065 0.000 0.998 474 G HN 0.590 nan 8.290 nan 0.000 0.551 475 N N 0.444 119.206 118.700 0.102 0.000 2.327 475 N HA 0.152 4.892 4.740 -0.000 0.000 0.231 475 N C -0.051 175.551 175.510 0.153 0.000 1.130 475 N CA 0.071 53.183 53.050 0.104 0.000 0.845 475 N CB 0.278 38.807 38.487 0.070 0.000 1.073 475 N HN 0.471 nan 8.380 nan 0.000 0.496 476 Y N 1.206 121.536 120.300 0.050 0.000 2.442 476 Y HA 0.410 4.960 4.550 -0.000 0.000 0.330 476 Y C 0.817 176.778 175.900 0.102 0.000 1.129 476 Y CA 0.189 58.332 58.100 0.072 0.000 1.365 476 Y CB 0.456 38.950 38.460 0.057 0.000 1.233 476 Y HN 0.129 nan 8.280 nan 0.000 0.529 477 G N 3.785 112.427 108.800 -0.263 0.000 2.634 477 G HA2 0.259 4.219 3.960 -0.000 0.000 0.309 477 G HA3 0.259 4.219 3.960 -0.000 0.000 0.309 477 G C -2.499 172.363 174.900 -0.064 0.000 1.299 477 G CA -0.879 44.158 45.100 -0.105 0.000 0.798 477 G HN 0.544 nan 8.290 nan 0.000 0.490 478 Y N 1.210 121.463 120.300 -0.079 0.000 2.352 478 Y HA 0.667 5.217 4.550 -0.001 0.000 0.339 478 Y C -0.443 175.349 175.900 -0.181 0.000 0.992 478 Y CA -1.605 56.379 58.100 -0.192 0.000 1.100 478 Y CB 1.962 40.349 38.460 -0.121 0.000 1.192 478 Y HN 0.457 nan 8.280 nan 0.000 0.458 479 N N 4.701 122.969 118.700 -0.720 0.000 2.678 479 N HA 0.267 5.006 4.740 -0.000 0.000 0.231 479 N C 0.460 175.455 175.510 -0.858 0.000 1.038 479 N CA 0.385 53.094 53.050 -0.570 0.000 0.932 479 N CB 1.039 39.316 38.487 -0.350 0.000 1.176 479 N HN 0.855 nan 8.380 nan 0.000 0.511 480 A N 3.462 125.858 122.820 -0.707 0.000 2.042 480 A HA -0.167 4.152 4.320 -0.000 0.000 0.222 480 A C 2.072 179.475 177.584 -0.302 0.000 1.167 480 A CA 2.033 53.779 52.037 -0.486 0.000 0.649 480 A CB -0.763 18.169 19.000 -0.114 0.000 0.809 480 A HN 0.724 nan 8.150 nan 0.000 0.457 481 A N -0.876 121.794 122.820 -0.250 0.000 1.930 481 A HA -0.023 4.296 4.320 -0.000 0.000 0.217 481 A C 2.253 179.738 177.584 -0.165 0.000 1.175 481 A CA 2.299 54.240 52.037 -0.160 0.000 0.627 481 A CB -0.780 18.145 19.000 -0.125 0.000 0.815 481 A HN 0.914 nan 8.150 nan 0.000 0.443 482 T N -2.850 111.566 114.554 -0.230 0.000 3.044 482 T HA 0.222 4.572 4.350 -0.000 0.000 0.260 482 T C 0.172 174.737 174.700 -0.225 0.000 1.019 482 T CA 0.635 62.623 62.100 -0.186 0.000 0.921 482 T CB -0.425 68.349 68.868 -0.158 0.000 1.053 482 T HN 0.644 nan 8.240 nan 0.000 0.533 483 E N 0.755 120.732 120.200 -0.373 0.000 2.328 483 E HA -0.224 4.126 4.350 -0.000 0.000 0.233 483 E C -0.891 175.526 176.600 -0.306 0.000 1.219 483 E CA 0.627 56.802 56.400 -0.375 0.000 0.717 483 E CB -2.344 27.335 29.700 -0.035 0.000 1.210 483 E HN 0.742 nan 8.360 nan 0.000 0.381 484 E N -0.201 119.755 120.200 -0.407 0.000 2.238 484 E HA 0.473 4.823 4.350 -0.000 0.000 0.267 484 E C -0.726 175.675 176.600 -0.333 0.000 0.887 484 E CA -0.792 55.446 56.400 -0.269 0.000 0.769 484 E CB 1.027 30.656 29.700 -0.119 0.000 1.187 484 E HN 0.150 nan 8.360 nan 0.000 0.416 485 Y N 0.894 121.188 120.300 -0.011 0.000 2.300 485 Y HA 0.625 5.175 4.550 -0.000 0.000 0.328 485 Y C 1.224 177.018 175.900 -0.176 0.000 1.270 485 Y CA 0.459 58.455 58.100 -0.173 0.000 1.352 485 Y CB 1.333 39.672 38.460 -0.203 0.000 1.286 485 Y HN 0.669 nan 8.280 nan 0.000 0.536 486 G N 0.555 109.243 108.800 -0.187 0.000 2.360 486 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.276 486 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.276 486 G C -1.876 173.049 174.900 0.041 0.000 1.256 486 G CA -1.109 44.010 45.100 0.033 0.000 0.890 486 G HN 0.536 nan 8.290 nan 0.000 0.486 487 N N 1.231 119.993 118.700 0.104 0.000 2.420 487 N HA 0.170 4.910 4.740 -0.000 0.000 0.249 487 N C 1.687 177.217 175.510 0.033 0.000 1.033 487 N CA -0.578 52.531 53.050 0.098 0.000 0.944 487 N CB 0.883 39.431 38.487 0.101 0.000 1.113 487 N HN 0.375 nan 8.380 nan 0.000 0.502 488 M N 3.461 123.070 119.600 0.016 0.000 2.144 488 M HA -0.190 4.289 4.480 -0.000 0.000 0.260 488 M C 1.689 177.987 176.300 -0.003 0.000 1.067 488 M CA 1.377 56.671 55.300 -0.010 0.000 1.095 488 M CB -0.582 32.016 32.600 -0.003 0.000 1.365 488 M HN 0.590 nan 8.290 nan 0.000 0.406 489 I N 0.089 120.668 120.570 0.015 0.000 2.193 489 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 489 I C 1.962 178.085 176.117 0.009 0.000 1.084 489 I CA 1.129 62.436 61.300 0.012 0.000 1.365 489 I CB -0.470 37.542 38.000 0.020 0.000 1.064 489 I HN 0.189 nan 8.210 nan 0.000 0.410 490 D N 0.835 121.245 120.400 0.016 0.000 2.133 490 D HA -0.238 4.402 4.640 -0.000 0.000 0.192 490 D C 2.095 178.396 176.300 0.001 0.000 1.001 490 D CA 1.679 55.687 54.000 0.013 0.000 0.844 490 D CB -0.303 40.512 40.800 0.025 0.000 0.944 490 D HN 0.311 nan 8.370 nan 0.000 0.447 491 M N -0.727 118.868 119.600 -0.008 0.000 2.686 491 M HA 0.087 4.567 4.480 -0.000 0.000 0.246 491 M C 1.059 177.340 176.300 -0.032 0.000 1.096 491 M CA 0.803 56.087 55.300 -0.027 0.000 1.076 491 M CB 0.135 32.705 32.600 -0.050 0.000 1.504 491 M HN 0.138 nan 8.290 nan 0.000 0.524 492 G N 1.554 110.341 108.800 -0.021 0.000 2.160 492 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 492 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 492 G C -0.205 174.679 174.900 -0.025 0.000 1.022 492 G CA -0.363 44.725 45.100 -0.019 0.000 0.741 492 G HN 0.382 nan 8.290 nan 0.000 0.508 493 I N 1.465 122.018 120.570 -0.029 0.000 2.460 493 I HA 0.494 4.664 4.170 -0.000 0.000 0.277 493 I C 0.527 176.635 176.117 -0.016 0.000 1.057 493 I CA -1.118 60.163 61.300 -0.031 0.000 1.179 493 I CB 0.314 38.283 38.000 -0.052 0.000 1.329 493 I HN 0.393 nan 8.210 nan 0.000 0.478 494 L N 2.271 123.489 121.223 -0.008 0.000 2.371 494 L HA 0.848 5.188 4.340 -0.000 0.000 0.262 494 L C -1.294 175.578 176.870 0.003 0.000 1.006 494 L CA -0.654 54.186 54.840 0.001 0.000 0.818 494 L CB 3.034 45.096 42.059 0.005 0.000 1.354 494 L HN 0.059 nan 8.230 nan 0.000 0.415 495 D N 1.326 121.731 120.400 0.008 0.000 2.498 495 D HA 0.517 5.157 4.640 -0.000 0.000 0.247 495 D C -2.641 173.666 176.300 0.012 0.000 1.070 495 D CA -1.328 52.677 54.000 0.009 0.000 0.842 495 D CB 2.401 43.206 40.800 0.010 0.000 1.361 495 D HN 0.376 nan 8.370 nan 0.000 0.484 496 P HA 0.050 nan 4.420 nan 0.000 0.267 496 P C 0.805 178.116 177.300 0.018 0.000 1.200 496 P CA 0.025 63.135 63.100 0.017 0.000 0.772 496 P CB 0.681 32.392 31.700 0.019 0.000 0.855 497 T N 1.518 116.083 114.554 0.019 0.000 2.746 497 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 497 T C 1.645 176.359 174.700 0.022 0.000 1.039 497 T CA 1.090 63.202 62.100 0.020 0.000 1.142 497 T CB -0.352 68.528 68.868 0.019 0.000 0.866 497 T HN 0.473 nan 8.240 nan 0.000 0.444 498 K N 0.647 121.062 120.400 0.024 0.000 2.052 498 K HA -0.190 4.130 4.320 -0.000 0.000 0.215 498 K C 2.456 179.075 176.600 0.033 0.000 1.053 498 K CA 1.999 58.304 56.287 0.029 0.000 0.934 498 K CB -0.612 31.906 32.500 0.030 0.000 0.717 498 K HN 0.310 nan 8.250 nan 0.000 0.450 499 V N 0.008 119.937 119.914 0.024 0.000 2.307 499 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 499 V C 1.861 177.972 176.094 0.029 0.000 1.045 499 V CA 2.557 64.869 62.300 0.021 0.000 1.024 499 V CB -0.731 31.092 31.823 -0.001 0.000 0.651 499 V HN 0.376 nan 8.190 nan 0.000 0.449 500 T N 0.514 115.083 114.554 0.025 0.000 2.720 500 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 500 T C 1.930 176.650 174.700 0.034 0.000 1.037 500 T CA 2.277 64.393 62.100 0.027 0.000 1.144 500 T CB -0.390 68.492 68.868 0.023 0.000 0.864 500 T HN 0.657 nan 8.240 nan 0.000 0.444 501 R N 0.898 121.417 120.500 0.032 0.000 2.075 501 R HA -0.112 4.227 4.340 -0.000 0.000 0.230 501 R C 2.627 178.954 176.300 0.046 0.000 1.140 501 R CA 1.991 58.108 56.100 0.028 0.000 0.928 501 R CB -0.618 29.694 30.300 0.020 0.000 0.834 501 R HN 0.232 nan 8.270 nan 0.000 0.429 502 S N 0.821 116.566 115.700 0.075 0.000 2.378 502 S HA -0.292 4.177 4.470 -0.000 0.000 0.229 502 S C 2.091 176.824 174.600 0.221 0.000 1.052 502 S CA 1.648 59.948 58.200 0.167 0.000 1.084 502 S CB -0.633 62.682 63.200 0.191 0.000 0.950 502 S HN 0.631 nan 8.310 nan 0.000 0.440 503 A N 1.268 124.168 122.820 0.133 0.000 1.892 503 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 503 A C 2.165 179.812 177.584 0.106 0.000 1.188 503 A CA 1.646 53.748 52.037 0.108 0.000 0.631 503 A CB -0.833 18.199 19.000 0.054 0.000 0.822 503 A HN 0.472 nan 8.150 nan 0.000 0.447 504 L N -1.097 120.168 121.223 0.069 0.000 2.027 504 L HA -0.221 4.119 4.340 -0.000 0.000 0.206 504 L C 2.844 179.733 176.870 0.032 0.000 1.074 504 L CA 1.991 56.857 54.840 0.044 0.000 0.745 504 L CB -0.554 41.520 42.059 0.025 0.000 0.898 504 L HN 0.530 nan 8.230 nan 0.000 0.433 505 Q N -1.301 118.501 119.800 0.004 0.000 2.084 505 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 505 Q C 1.983 177.926 176.000 -0.095 0.000 0.978 505 Q CA 1.935 57.690 55.803 -0.079 0.000 0.844 505 Q CB -0.135 28.507 28.738 -0.160 0.000 0.898 505 Q HN 0.473 nan 8.270 nan 0.000 0.426 506 Y N -0.349 119.951 120.300 0.000 0.000 2.314 506 Y HA -0.101 4.449 4.550 -0.000 0.000 0.293 506 Y C 2.235 178.136 175.900 0.001 0.000 1.129 506 Y CA 0.962 59.062 58.100 -0.000 0.000 1.201 506 Y CB -0.297 38.161 38.460 -0.003 0.000 0.999 506 Y HN 0.127 nan 8.280 nan 0.000 0.541 507 A N -0.333 122.580 122.820 0.155 0.000 1.969 507 A HA -0.061 4.258 4.320 -0.000 0.000 0.218 507 A C 2.381 180.000 177.584 0.057 0.000 1.169 507 A CA 1.551 53.642 52.037 0.090 0.000 0.635 507 A CB -1.030 18.007 19.000 0.062 0.000 0.810 507 A HN 0.367 nan 8.150 nan 0.000 0.445 508 A N -0.477 122.364 122.820 0.036 0.000 1.968 508 A HA -0.017 4.302 4.320 -0.000 0.000 0.217 508 A C 2.445 180.035 177.584 0.009 0.000 1.169 508 A CA 1.946 53.991 52.037 0.013 0.000 0.638 508 A CB -0.796 18.202 19.000 -0.004 0.000 0.812 508 A HN 0.674 nan 8.150 nan 0.000 0.446 509 S N -0.513 115.190 115.700 0.005 0.000 2.343 509 S HA -0.145 4.325 4.470 -0.000 0.000 0.219 509 S C 1.959 176.577 174.600 0.031 0.000 1.033 509 S CA 1.792 59.993 58.200 0.002 0.000 1.014 509 S CB -0.749 62.440 63.200 -0.019 0.000 0.915 509 S HN 0.555 nan 8.310 nan 0.000 0.435 510 V N 1.741 121.690 119.914 0.057 0.000 2.490 510 V HA 0.010 4.129 4.120 -0.000 0.000 0.250 510 V C 2.666 178.781 176.094 0.036 0.000 1.061 510 V CA 1.944 64.276 62.300 0.052 0.000 1.064 510 V CB -1.112 30.748 31.823 0.063 0.000 0.670 510 V HN 0.651 nan 8.190 nan 0.000 0.461 511 A N -0.054 122.785 122.820 0.032 0.000 1.872 511 A HA 0.037 4.356 4.320 -0.000 0.000 0.214 511 A C 2.393 179.988 177.584 0.019 0.000 1.187 511 A CA 1.649 53.700 52.037 0.024 0.000 0.614 511 A CB -1.437 17.576 19.000 0.021 0.000 0.826 511 A HN 0.602 nan 8.150 nan 0.000 0.442 512 G N 0.044 108.853 108.800 0.015 0.000 2.476 512 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 512 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 512 G C 1.409 176.317 174.900 0.014 0.000 1.164 512 G CA 1.310 46.417 45.100 0.011 0.000 0.768 512 G HN 0.320 nan 8.290 nan 0.000 0.560 513 L N 0.319 121.552 121.223 0.017 0.000 2.021 513 L HA -0.070 4.270 4.340 -0.000 0.000 0.215 513 L C 3.070 179.952 176.870 0.020 0.000 1.074 513 L CA 1.577 56.429 54.840 0.020 0.000 0.760 513 L CB -0.829 41.245 42.059 0.024 0.000 0.889 513 L HN 0.273 nan 8.230 nan 0.000 0.433 514 M N -1.611 118.002 119.600 0.022 0.000 2.086 514 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 514 M C 2.244 178.556 176.300 0.019 0.000 1.067 514 M CA 1.707 57.020 55.300 0.021 0.000 1.116 514 M CB -0.392 32.221 32.600 0.022 0.000 1.348 514 M HN 0.153 nan 8.290 nan 0.000 0.407 515 I N 0.102 120.682 120.570 0.017 0.000 2.530 515 I HA -0.236 3.933 4.170 -0.000 0.000 0.257 515 I C 1.661 177.788 176.117 0.016 0.000 1.179 515 I CA 1.367 62.676 61.300 0.015 0.000 1.440 515 I CB -0.414 37.594 38.000 0.013 0.000 1.087 515 I HN 0.408 nan 8.210 nan 0.000 0.440 516 T N -4.073 110.491 114.554 0.018 0.000 3.174 516 T HA 0.186 4.536 4.350 -0.000 0.000 0.269 516 T C 0.529 175.243 174.700 0.023 0.000 1.017 516 T CA -0.311 61.800 62.100 0.019 0.000 0.899 516 T CB -0.270 68.608 68.868 0.017 0.000 1.077 516 T HN -0.071 nan 8.240 nan 0.000 0.552 517 T N 2.455 117.023 114.554 0.024 0.000 2.806 517 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 517 T C 0.547 175.267 174.700 0.032 0.000 0.966 517 T CA -0.498 61.617 62.100 0.025 0.000 1.060 517 T CB 1.521 70.402 68.868 0.022 0.000 0.927 517 T HN 0.103 nan 8.240 nan 0.000 0.485 518 E N 0.537 120.762 120.200 0.042 0.000 2.485 518 E HA 0.176 4.526 4.350 -0.000 0.000 0.213 518 E C 0.156 176.797 176.600 0.068 0.000 0.923 518 E CA 0.094 56.539 56.400 0.076 0.000 1.054 518 E CB 0.812 30.575 29.700 0.105 0.000 1.077 518 E HN 0.539 nan 8.360 nan 0.000 0.509 519 C N 0.458 119.752 119.300 -0.010 0.000 2.994 519 C HA 0.715 5.175 4.460 -0.000 0.000 0.305 519 C C -1.399 173.523 174.990 -0.113 0.000 1.251 519 C CA -0.526 58.394 59.018 -0.164 0.000 1.478 519 C CB 0.816 28.442 27.740 -0.189 0.000 1.922 519 C HN 0.146 nan 8.230 nan 0.000 0.472 520 M N 4.788 124.306 119.600 -0.137 0.000 2.224 520 M HA 0.464 4.944 4.480 -0.000 0.000 0.281 520 M C -1.286 175.073 176.300 0.099 0.000 1.025 520 M CA -0.379 54.955 55.300 0.056 0.000 0.954 520 M CB 1.975 34.717 32.600 0.237 0.000 1.639 520 M HN 0.394 nan 8.290 nan 0.000 0.461 521 V N 1.692 121.609 119.914 0.004 0.000 2.555 521 V HA 0.864 4.984 4.120 -0.000 0.000 0.302 521 V C -0.185 175.824 176.094 -0.142 0.000 1.038 521 V CA -0.340 61.932 62.300 -0.047 0.000 0.887 521 V CB 2.069 33.862 31.823 -0.050 0.000 0.991 521 V HN 0.927 nan 8.190 nan 0.000 0.434 522 T N 1.973 116.399 114.554 -0.213 0.000 2.749 522 T HA 0.264 4.614 4.350 -0.000 0.000 0.310 522 T C -1.559 173.014 174.700 -0.212 0.000 1.496 522 T CA -0.650 61.272 62.100 -0.296 0.000 1.006 522 T CB 1.832 70.334 68.868 -0.611 0.000 1.457 522 T HN 0.690 nan 8.240 nan 0.000 0.497 523 D N 1.663 121.959 120.400 -0.174 0.000 2.357 523 D HA 0.243 4.882 4.640 -0.000 0.000 0.242 523 D C 0.295 176.535 176.300 -0.099 0.000 1.153 523 D CA -0.125 53.810 54.000 -0.108 0.000 0.918 523 D CB 0.743 41.495 40.800 -0.080 0.000 1.181 523 D HN 0.409 nan 8.370 nan 0.000 0.435 524 L N 2.440 123.633 121.223 -0.049 0.000 2.456 524 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 524 L C -1.328 175.528 176.870 -0.023 0.000 1.189 524 L CA -1.358 53.470 54.840 -0.021 0.000 0.846 524 L CB 0.056 42.113 42.059 -0.003 0.000 1.111 524 L HN 0.247 nan 8.230 nan 0.000 0.475 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 525 P CB 0.000 31.712 31.700 0.019 0.000 0.726