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 1mnf_1_B 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 TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 3 A N 0.853 123.672 122.820 -0.001 0.000 2.498 3 A HA 0.531 4.851 4.320 0.000 0.000 0.239 3 A C 0.199 177.783 177.584 0.001 0.000 1.068 3 A CA 0.363 52.403 52.037 0.005 0.000 0.766 3 A CB -0.112 18.894 19.000 0.009 0.000 1.003 3 A HN 0.601 nan 8.150 nan 0.000 0.497 4 K N 1.136 121.540 120.400 0.007 0.000 2.185 4 K HA 0.449 4.769 4.320 0.000 0.000 0.240 4 K C -1.175 175.445 176.600 0.033 0.000 0.983 4 K CA -0.689 55.600 56.287 0.005 0.000 0.873 4 K CB 1.449 33.949 32.500 0.000 0.000 1.118 4 K HN 0.721 nan 8.250 nan 0.000 0.441 5 D N 0.965 121.399 120.400 0.056 0.000 2.344 5 D HA 0.293 4.933 4.640 0.000 0.000 0.239 5 D C -1.292 175.138 176.300 0.217 0.000 1.064 5 D CA -0.593 53.495 54.000 0.146 0.000 0.829 5 D CB 1.155 42.083 40.800 0.213 0.000 1.129 5 D HN 0.054 nan 8.370 nan 0.000 0.506 6 V N 4.942 124.921 119.914 0.109 0.000 2.384 6 V HA 0.406 4.526 4.120 0.000 0.000 0.287 6 V C 0.389 176.363 176.094 -0.200 0.000 1.020 6 V CA -0.731 61.544 62.300 -0.042 0.000 0.850 6 V CB 1.450 33.200 31.823 -0.122 0.000 0.987 6 V HN 0.375 nan 8.190 nan 0.000 0.436 7 K N 3.654 123.838 120.400 -0.361 0.000 2.208 7 K HA 0.745 5.065 4.320 0.000 0.000 0.247 7 K C -1.408 174.871 176.600 -0.535 0.000 0.953 7 K CA -0.506 55.507 56.287 -0.458 0.000 0.837 7 K CB 2.282 34.307 32.500 -0.793 0.000 1.131 7 K HN 0.421 nan 8.250 nan 0.000 0.431 8 F N -0.782 119.102 119.950 -0.111 0.000 2.631 8 F HA 0.319 4.846 4.527 -0.000 0.000 0.328 8 F C 1.432 177.194 175.800 -0.063 0.000 1.067 8 F CA 0.018 57.981 58.000 -0.062 0.000 0.969 8 F CB 1.161 40.137 39.000 -0.040 0.000 1.332 8 F HN 0.811 nan 8.300 nan 0.000 0.490 9 G N 1.382 110.308 108.800 0.210 0.000 2.738 9 G HA2 -0.488 3.472 3.960 0.000 0.000 0.391 9 G HA3 -0.488 3.472 3.960 0.000 0.000 0.391 9 G C 1.458 176.381 174.900 0.039 0.000 1.049 9 G CA 1.305 46.462 45.100 0.096 0.000 0.855 9 G HN 0.775 nan 8.290 nan 0.000 0.757 10 N N 0.867 119.582 118.700 0.024 0.000 2.104 10 N HA -0.144 4.596 4.740 0.000 0.000 0.190 10 N C 1.788 177.286 175.510 -0.020 0.000 1.024 10 N CA 2.178 55.230 53.050 0.002 0.000 0.853 10 N CB -0.389 38.098 38.487 0.000 0.000 1.008 10 N HN 0.520 nan 8.380 nan 0.000 0.424 11 D N 0.749 121.131 120.400 -0.031 0.000 2.104 11 D HA -0.109 4.531 4.640 0.000 0.000 0.194 11 D C 1.864 178.085 176.300 -0.133 0.000 0.994 11 D CA 1.265 55.215 54.000 -0.083 0.000 0.830 11 D CB -0.495 40.243 40.800 -0.104 0.000 0.959 11 D HN 0.403 nan 8.370 nan 0.000 0.452 12 A N 1.122 123.863 122.820 -0.132 0.000 1.877 12 A HA -0.204 4.116 4.320 0.000 0.000 0.216 12 A C 2.214 179.765 177.584 -0.055 0.000 1.186 12 A CA 1.372 53.323 52.037 -0.143 0.000 0.620 12 A CB -0.435 18.505 19.000 -0.099 0.000 0.822 12 A HN 0.122 nan 8.150 nan 0.000 0.443 13 R N -0.440 120.044 120.500 -0.027 0.000 2.070 13 R HA -0.130 4.210 4.340 0.000 0.000 0.233 13 R C 2.259 178.556 176.300 -0.005 0.000 1.137 13 R CA 1.801 57.898 56.100 -0.005 0.000 0.945 13 R CB -0.877 29.424 30.300 0.002 0.000 0.845 13 R HN 0.608 nan 8.270 nan 0.000 0.430 14 V N 0.075 119.980 119.914 -0.015 0.000 2.392 14 V HA -0.223 3.897 4.120 0.000 0.000 0.249 14 V C 1.985 178.078 176.094 -0.002 0.000 1.059 14 V CA 1.556 63.851 62.300 -0.009 0.000 1.051 14 V CB -0.435 31.378 31.823 -0.015 0.000 0.658 14 V HN 0.113 nan 8.190 nan 0.000 0.455 15 K N 0.178 120.572 120.400 -0.009 0.000 2.009 15 K HA -0.077 4.243 4.320 0.000 0.000 0.210 15 K C 2.290 178.921 176.600 0.051 0.000 1.049 15 K CA 2.315 58.619 56.287 0.029 0.000 0.929 15 K CB -0.647 31.878 32.500 0.041 0.000 0.714 15 K HN 0.560 nan 8.250 nan 0.000 0.440 16 M N 0.394 120.023 119.600 0.048 0.000 2.080 16 M HA -0.206 4.274 4.480 0.000 0.000 0.260 16 M C 2.311 178.629 176.300 0.029 0.000 1.068 16 M CA 1.226 56.553 55.300 0.045 0.000 1.109 16 M CB -0.486 32.137 32.600 0.039 0.000 1.342 16 M HN 0.045 nan 8.290 nan 0.000 0.405 17 L N 0.697 121.932 121.223 0.021 0.000 1.990 17 L HA -0.233 4.107 4.340 0.000 0.000 0.213 17 L C 2.461 179.340 176.870 0.015 0.000 1.072 17 L CA 1.990 56.839 54.840 0.015 0.000 0.755 17 L CB -0.538 41.527 42.059 0.010 0.000 0.889 17 L HN 0.165 nan 8.230 nan 0.000 0.432 18 R N -0.662 119.848 120.500 0.017 0.000 2.091 18 R HA -0.130 4.210 4.340 0.000 0.000 0.238 18 R C 2.219 178.530 176.300 0.018 0.000 1.136 18 R CA 1.204 57.314 56.100 0.017 0.000 0.959 18 R CB -1.039 29.273 30.300 0.019 0.000 0.856 18 R HN 0.619 nan 8.270 nan 0.000 0.437 19 G N 0.753 109.567 108.800 0.024 0.000 2.433 19 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 19 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 19 G C 1.478 176.386 174.900 0.013 0.000 1.186 19 G CA 1.077 46.189 45.100 0.021 0.000 0.779 19 G HN 0.335 nan 8.290 nan 0.000 0.543 20 V N -0.275 119.647 119.914 0.014 0.000 2.809 20 V HA -0.064 4.056 4.120 0.000 0.000 0.256 20 V C 2.143 178.241 176.094 0.007 0.000 1.080 20 V CA 2.062 64.368 62.300 0.009 0.000 1.102 20 V CB -0.499 31.331 31.823 0.011 0.000 0.705 20 V HN 0.201 nan 8.190 nan 0.000 0.475 21 N N 0.981 119.686 118.700 0.008 0.000 2.142 21 N HA -0.075 4.665 4.740 0.000 0.000 0.186 21 N C 1.827 177.340 175.510 0.004 0.000 1.023 21 N CA 1.776 54.830 53.050 0.006 0.000 0.852 21 N CB -0.380 38.111 38.487 0.006 0.000 0.998 21 N HN 0.507 nan 8.380 nan 0.000 0.424 22 V N 1.664 121.581 119.914 0.004 0.000 2.343 22 V HA -0.182 3.938 4.120 0.000 0.000 0.247 22 V C 2.384 178.477 176.094 -0.001 0.000 1.051 22 V CA 1.049 63.350 62.300 0.001 0.000 1.036 22 V CB -0.549 31.275 31.823 0.001 0.000 0.654 22 V HN 0.183 nan 8.190 nan 0.000 0.451 23 L N 1.084 122.306 121.223 -0.001 0.000 1.948 23 L HA -0.098 4.242 4.340 0.000 0.000 0.212 23 L C 2.505 179.373 176.870 -0.003 0.000 1.074 23 L CA 2.635 57.473 54.840 -0.004 0.000 0.753 23 L CB -1.239 40.818 42.059 -0.004 0.000 0.888 23 L HN 0.203 nan 8.230 nan 0.000 0.432 24 A N -0.676 122.143 122.820 -0.001 0.000 1.892 24 A HA -0.278 4.042 4.320 0.000 0.000 0.218 24 A C 2.013 179.597 177.584 -0.001 0.000 1.188 24 A CA 2.146 54.183 52.037 0.000 0.000 0.631 24 A CB -1.168 17.834 19.000 0.003 0.000 0.822 24 A HN 0.639 nan 8.150 nan 0.000 0.447 25 D N -0.130 120.270 120.400 -0.000 0.000 2.149 25 D HA -0.067 4.573 4.640 0.000 0.000 0.198 25 D C 2.162 178.461 176.300 -0.002 0.000 0.990 25 D CA 1.548 55.547 54.000 -0.001 0.000 0.839 25 D CB -0.388 40.412 40.800 -0.000 0.000 0.948 25 D HN 0.466 nan 8.370 nan 0.000 0.460 26 A N 0.204 123.022 122.820 -0.004 0.000 1.897 26 A HA -0.064 4.256 4.320 0.000 0.000 0.215 26 A C 2.474 180.055 177.584 -0.006 0.000 1.181 26 A CA 0.861 52.895 52.037 -0.005 0.000 0.620 26 A CB -0.469 18.527 19.000 -0.007 0.000 0.821 26 A HN 0.146 nan 8.150 nan 0.000 0.443 27 V N 1.213 121.123 119.914 -0.006 0.000 2.407 27 V HA -0.204 3.916 4.120 0.000 0.000 0.245 27 V C 2.485 178.576 176.094 -0.004 0.000 1.041 27 V CA 2.079 64.375 62.300 -0.006 0.000 1.040 27 V CB -0.578 31.240 31.823 -0.008 0.000 0.671 27 V HN 0.834 nan 8.190 nan 0.000 0.455 28 K N 1.446 121.845 120.400 -0.002 0.000 2.442 28 K HA -0.104 4.216 4.320 0.000 0.000 0.198 28 K C 1.744 178.343 176.600 -0.001 0.000 1.044 28 K CA 1.690 57.977 56.287 -0.001 0.000 0.948 28 K CB -0.650 31.851 32.500 0.000 0.000 0.762 28 K HN 0.494 nan 8.250 nan 0.000 0.472 29 V N -0.174 119.739 119.914 -0.002 0.000 2.913 29 V HA -0.145 3.975 4.120 0.000 0.000 0.260 29 V C 2.186 178.280 176.094 -0.001 0.000 1.098 29 V CA 1.709 64.008 62.300 -0.001 0.000 1.121 29 V CB -1.061 30.761 31.823 -0.002 0.000 0.714 29 V HN 0.552 nan 8.190 nan 0.000 0.487 30 T N -2.404 112.149 114.554 -0.002 0.000 3.057 30 T HA 0.218 4.568 4.350 0.000 0.000 0.254 30 T C 0.664 175.363 174.700 -0.002 0.000 1.094 30 T CA -0.094 62.005 62.100 -0.003 0.000 1.088 30 T CB -0.278 68.587 68.868 -0.005 0.000 0.934 30 T HN 0.340 nan 8.240 nan 0.000 0.497 31 L N 2.757 123.980 121.223 -0.001 0.000 2.540 31 L HA 0.465 4.805 4.340 0.000 0.000 0.276 31 L C 0.931 177.802 176.870 0.002 0.000 1.212 31 L CA 1.738 56.579 54.840 0.001 0.000 0.893 31 L CB -0.719 41.342 42.059 0.002 0.000 1.138 31 L HN 0.763 nan 8.230 nan 0.000 0.491 32 G N 4.299 113.100 108.800 0.001 0.000 2.707 32 G HA2 -0.138 3.822 3.960 0.000 0.000 0.686 32 G HA3 -0.138 3.822 3.960 0.000 0.000 0.686 32 G C -1.932 172.965 174.900 -0.005 0.000 1.315 32 G CA -0.317 44.783 45.100 0.000 0.000 0.832 32 G HN 0.594 nan 8.290 nan 0.000 0.573 33 P HA 0.024 nan 4.420 nan 0.000 0.228 33 P C 0.774 178.067 177.300 -0.013 0.000 1.151 33 P CA 1.065 64.154 63.100 -0.018 0.000 0.770 33 P CB 0.173 31.853 31.700 -0.034 0.000 0.786 34 K N 0.170 120.567 120.400 -0.005 0.000 2.514 34 K HA 0.260 4.580 4.320 0.000 0.000 0.207 34 K C 1.042 177.643 176.600 0.001 0.000 1.035 34 K CA -0.254 56.032 56.287 -0.001 0.000 1.113 34 K CB 0.396 32.899 32.500 0.006 0.000 0.846 34 K HN 0.040 nan 8.250 nan 0.000 0.491 35 G N 1.680 110.480 108.800 -0.001 0.000 2.484 35 G HA2 0.021 3.981 3.960 0.000 0.000 0.235 35 G HA3 0.021 3.981 3.960 0.000 0.000 0.235 35 G C 0.174 175.073 174.900 -0.001 0.000 1.282 35 G CA -0.287 44.812 45.100 -0.001 0.000 0.857 35 G HN 0.064 nan 8.290 nan 0.000 0.571 36 R N 0.855 121.355 120.500 -0.001 0.000 2.553 36 R HA 0.221 4.561 4.340 0.000 0.000 0.263 36 R C 0.066 176.364 176.300 -0.003 0.000 1.066 36 R CA -0.761 55.338 56.100 -0.002 0.000 1.135 36 R CB 0.431 30.730 30.300 -0.001 0.000 1.148 36 R HN 0.649 nan 8.270 nan 0.000 0.558 37 N N -0.883 117.815 118.700 -0.003 0.000 2.524 37 N HA 0.302 5.042 4.740 0.000 0.000 0.283 37 N C -0.950 174.557 175.510 -0.004 0.000 1.142 37 N CA -0.403 52.645 53.050 -0.004 0.000 0.984 37 N CB 1.352 39.837 38.487 -0.003 0.000 1.155 37 N HN 0.075 nan 8.380 nan 0.000 0.467 38 V N 2.079 121.989 119.914 -0.005 0.000 2.540 38 V HA 0.339 4.459 4.120 0.000 0.000 0.302 38 V C -0.462 175.628 176.094 -0.007 0.000 1.035 38 V CA -0.767 61.529 62.300 -0.007 0.000 0.873 38 V CB 1.876 33.694 31.823 -0.007 0.000 0.992 38 V HN 0.327 nan 8.190 nan 0.000 0.428 39 V N 6.512 126.421 119.914 -0.008 0.000 2.350 39 V HA 0.439 4.559 4.120 0.000 0.000 0.276 39 V C -0.167 175.920 176.094 -0.012 0.000 1.028 39 V CA -0.395 61.900 62.300 -0.009 0.000 0.860 39 V CB 1.221 33.039 31.823 -0.008 0.000 0.990 39 V HN 0.594 nan 8.190 nan 0.000 0.453 40 L N 3.903 125.118 121.223 -0.012 0.000 2.287 40 L HA 0.509 4.849 4.340 0.000 0.000 0.287 40 L C 0.074 176.933 176.870 -0.019 0.000 1.022 40 L CA -0.513 54.317 54.840 -0.016 0.000 0.814 40 L CB 1.523 43.572 42.059 -0.015 0.000 1.217 40 L HN 0.529 nan 8.230 nan 0.000 0.420 41 D N 3.193 123.578 120.400 -0.026 0.000 2.357 41 D HA 0.253 4.893 4.640 0.000 0.000 0.242 41 D C -0.499 175.776 176.300 -0.041 0.000 1.153 41 D CA 0.259 54.239 54.000 -0.034 0.000 0.918 41 D CB 0.930 41.705 40.800 -0.042 0.000 1.181 41 D HN 0.341 nan 8.370 nan 0.000 0.435 42 K N -0.135 120.235 120.400 -0.050 0.000 2.435 42 K HA 0.233 4.553 4.320 0.000 0.000 0.251 42 K C 0.982 177.506 176.600 -0.128 0.000 0.954 42 K CA -0.583 55.670 56.287 -0.057 0.000 0.820 42 K CB 1.810 34.300 32.500 -0.016 0.000 1.292 42 K HN 0.415 nan 8.250 nan 0.000 0.436 43 S N 0.913 116.500 115.700 -0.189 0.000 2.382 43 S HA -0.045 4.425 4.470 0.000 0.000 0.228 43 S C 0.347 174.497 174.600 -0.750 0.000 1.027 43 S CA 0.867 58.785 58.200 -0.470 0.000 0.991 43 S CB -0.220 62.694 63.200 -0.477 0.000 0.823 43 S HN 0.405 nan 8.310 nan 0.000 0.469 44 F N 1.165 121.113 119.950 -0.004 0.000 2.562 44 F HA 0.696 5.223 4.527 -0.000 0.000 0.319 44 F C 0.786 176.584 175.800 -0.003 0.000 1.154 44 F CA -0.010 57.988 58.000 -0.003 0.000 0.931 44 F CB 1.775 40.774 39.000 -0.003 0.000 1.198 44 F HN 0.468 nan 8.300 nan 0.000 0.444 45 G N 1.321 110.223 108.800 0.169 0.000 2.297 45 G HA2 0.439 4.399 3.960 0.000 0.000 0.209 45 G HA3 0.439 4.399 3.960 0.000 0.000 0.209 45 G C -1.641 173.289 174.900 0.050 0.000 1.267 45 G CA -0.408 44.750 45.100 0.096 0.000 1.127 45 G HN 1.057 nan 8.290 nan 0.000 0.498 46 A N 0.595 123.435 122.820 0.034 0.000 2.312 46 A HA 0.885 5.205 4.320 0.000 0.000 0.328 46 A C -1.923 175.667 177.584 0.010 0.000 1.158 46 A CA -0.888 51.160 52.037 0.018 0.000 0.821 46 A CB 0.444 19.453 19.000 0.016 0.000 1.170 46 A HN 0.643 nan 8.150 nan 0.000 0.490 47 P HA 0.171 nan 4.420 nan 0.000 0.269 47 P C -0.234 177.065 177.300 -0.002 0.000 1.211 47 P CA 0.270 63.367 63.100 -0.005 0.000 0.781 47 P CB 0.344 32.040 31.700 -0.008 0.000 0.877 48 T N 2.273 116.824 114.554 -0.004 0.000 2.799 48 T HA 0.464 4.814 4.350 0.000 0.000 0.286 48 T C 0.246 174.943 174.700 -0.004 0.000 0.973 48 T CA -0.211 61.887 62.100 -0.003 0.000 1.035 48 T CB -0.001 68.865 68.868 -0.004 0.000 0.932 48 T HN 0.178 nan 8.240 nan 0.000 0.469 49 I N 3.164 123.733 120.570 -0.003 0.000 2.328 49 I HA 0.407 4.577 4.170 0.000 0.000 0.287 49 I C 0.444 176.559 176.117 -0.003 0.000 1.012 49 I CA -0.379 60.919 61.300 -0.003 0.000 1.195 49 I CB 1.451 39.450 38.000 -0.002 0.000 1.350 49 I HN 0.505 nan 8.210 nan 0.000 0.464 50 T N 4.628 119.180 114.554 -0.005 0.000 2.896 50 T HA 0.412 4.762 4.350 0.000 0.000 0.297 50 T C 0.047 174.744 174.700 -0.005 0.000 1.108 50 T CA -0.579 61.518 62.100 -0.005 0.000 1.004 50 T CB 1.732 70.597 68.868 -0.006 0.000 1.159 50 T HN 0.614 nan 8.240 nan 0.000 0.499 51 K N 1.532 121.930 120.400 -0.005 0.000 2.478 51 K HA 0.191 4.511 4.320 0.000 0.000 0.205 51 K C -0.680 175.916 176.600 -0.006 0.000 1.033 51 K CA -0.229 56.055 56.287 -0.005 0.000 1.091 51 K CB 0.487 32.984 32.500 -0.004 0.000 0.844 51 K HN 0.444 nan 8.250 nan 0.000 0.507 52 D N 0.329 120.725 120.400 -0.006 0.000 2.441 52 D HA 0.108 4.748 4.640 0.000 0.000 0.221 52 D C 1.266 177.560 176.300 -0.010 0.000 1.156 52 D CA -0.165 53.830 54.000 -0.008 0.000 0.896 52 D CB 1.003 41.798 40.800 -0.008 0.000 1.028 52 D HN 0.218 nan 8.370 nan 0.000 0.509 53 G N 2.363 111.157 108.800 -0.010 0.000 2.545 53 G HA2 -0.288 3.672 3.960 0.000 0.000 0.222 53 G HA3 -0.288 3.672 3.960 0.000 0.000 0.222 53 G C 1.541 176.431 174.900 -0.016 0.000 1.126 53 G CA 0.963 46.056 45.100 -0.012 0.000 0.754 53 G HN 0.482 nan 8.290 nan 0.000 0.583 54 V N 0.831 120.734 119.914 -0.019 0.000 2.343 54 V HA -0.192 3.928 4.120 0.000 0.000 0.247 54 V C 3.100 179.181 176.094 -0.022 0.000 1.051 54 V CA 2.243 64.528 62.300 -0.024 0.000 1.036 54 V CB -0.586 31.220 31.823 -0.029 0.000 0.654 54 V HN 0.392 nan 8.190 nan 0.000 0.451 55 S N -0.074 115.615 115.700 -0.018 0.000 2.370 55 S HA -0.178 4.292 4.470 0.000 0.000 0.226 55 S C 2.015 176.605 174.600 -0.017 0.000 1.033 55 S CA 1.607 59.798 58.200 -0.016 0.000 1.011 55 S CB -0.265 62.927 63.200 -0.012 0.000 0.852 55 S HN 0.401 nan 8.310 nan 0.000 0.457 56 V N 2.097 122.002 119.914 -0.016 0.000 2.295 56 V HA -0.204 3.916 4.120 0.000 0.000 0.246 56 V C 2.680 178.763 176.094 -0.017 0.000 1.049 56 V CA 1.667 63.958 62.300 -0.015 0.000 1.024 56 V CB -1.336 30.480 31.823 -0.013 0.000 0.648 56 V HN 0.541 nan 8.190 nan 0.000 0.447 57 A N 0.028 122.837 122.820 -0.019 0.000 1.917 57 A HA -0.309 4.011 4.320 0.000 0.000 0.219 57 A C 2.433 180.003 177.584 -0.024 0.000 1.182 57 A CA 2.284 54.309 52.037 -0.021 0.000 0.633 57 A CB -0.673 18.313 19.000 -0.024 0.000 0.819 57 A HN 0.477 nan 8.150 nan 0.000 0.448 58 R N -0.526 119.959 120.500 -0.025 0.000 2.105 58 R HA -0.147 4.193 4.340 0.000 0.000 0.239 58 R C 1.324 177.608 176.300 -0.026 0.000 1.135 58 R CA 1.576 57.659 56.100 -0.027 0.000 0.967 58 R CB -0.138 30.145 30.300 -0.027 0.000 0.861 58 R HN 0.464 nan 8.270 nan 0.000 0.442 59 E N 0.298 120.484 120.200 -0.023 0.000 2.427 59 E HA -0.014 4.336 4.350 0.000 0.000 0.196 59 E C 0.268 176.854 176.600 -0.023 0.000 1.028 59 E CA 0.197 56.583 56.400 -0.023 0.000 0.864 59 E CB 0.171 29.858 29.700 -0.022 0.000 0.813 59 E HN 0.254 nan 8.360 nan 0.000 0.514 60 I N 1.989 122.547 120.570 -0.021 0.000 2.436 60 I HA 0.137 4.307 4.170 0.000 0.000 0.289 60 I C 0.348 176.452 176.117 -0.021 0.000 1.083 60 I CA 0.210 61.498 61.300 -0.019 0.000 1.372 60 I CB 0.125 38.115 38.000 -0.016 0.000 1.408 60 I HN -0.071 nan 8.210 nan 0.000 0.516 61 E N 7.064 127.252 120.200 -0.021 0.000 2.287 61 E HA 0.459 4.809 4.350 0.000 0.000 0.274 61 E C -1.605 174.983 176.600 -0.021 0.000 0.896 61 E CA -0.571 55.815 56.400 -0.023 0.000 0.788 61 E CB 1.950 31.634 29.700 -0.027 0.000 1.244 61 E HN 0.443 nan 8.360 nan 0.000 0.408 62 L N 3.360 124.572 121.223 -0.019 0.000 2.360 62 L HA 0.358 4.698 4.340 0.000 0.000 0.271 62 L C 1.562 178.422 176.870 -0.018 0.000 1.057 62 L CA -0.356 54.475 54.840 -0.014 0.000 0.803 62 L CB 1.398 43.455 42.059 -0.004 0.000 1.207 62 L HN 0.748 nan 8.230 nan 0.000 0.445 63 E N 0.878 121.071 120.200 -0.012 0.000 2.047 63 E HA -0.178 4.172 4.350 0.000 0.000 0.191 63 E C 0.542 177.134 176.600 -0.013 0.000 0.987 63 E CA 0.588 56.980 56.400 -0.014 0.000 0.799 63 E CB 0.248 29.943 29.700 -0.008 0.000 0.752 63 E HN 0.654 nan 8.360 nan 0.000 0.449 64 D N 0.721 121.124 120.400 0.005 0.000 2.382 64 D HA -0.056 4.584 4.640 0.000 0.000 0.259 64 D C 0.635 176.929 176.300 -0.011 0.000 1.224 64 D CA 0.060 54.075 54.000 0.025 0.000 0.894 64 D CB 0.912 41.753 40.800 0.068 0.000 1.127 64 D HN 0.079 nan 8.370 nan 0.000 0.487 65 K N 3.513 123.859 120.400 -0.089 0.000 2.074 65 K HA -0.187 4.133 4.320 0.000 0.000 0.209 65 K C 1.886 178.320 176.600 -0.276 0.000 1.048 65 K CA 1.243 57.392 56.287 -0.231 0.000 0.926 65 K CB -0.286 31.983 32.500 -0.383 0.000 0.713 65 K HN 0.481 nan 8.250 nan 0.000 0.444 66 F N 1.751 121.686 119.950 -0.025 0.000 2.128 66 F HA -0.066 4.461 4.527 -0.000 0.000 0.295 66 F C 2.439 178.226 175.800 -0.022 0.000 1.100 66 F CA 1.079 59.063 58.000 -0.028 0.000 1.260 66 F CB -0.494 38.489 39.000 -0.030 0.000 1.009 66 F HN 0.086 nan 8.300 nan 0.000 0.476 67 E N -0.057 120.240 120.200 0.161 0.000 2.118 67 E HA -0.257 4.093 4.350 0.000 0.000 0.195 67 E C 1.797 178.419 176.600 0.038 0.000 0.992 67 E CA 1.322 57.772 56.400 0.084 0.000 0.804 67 E CB -0.353 29.385 29.700 0.063 0.000 0.741 67 E HN 0.320 nan 8.360 nan 0.000 0.458 68 N N 0.582 119.287 118.700 0.009 0.000 2.142 68 N HA -0.124 4.616 4.740 0.000 0.000 0.186 68 N C 1.732 177.231 175.510 -0.019 0.000 1.023 68 N CA 1.120 54.160 53.050 -0.017 0.000 0.852 68 N CB 0.018 38.480 38.487 -0.042 0.000 0.998 68 N HN 0.053 nan 8.380 nan 0.000 0.424 69 M N -0.650 118.935 119.600 -0.025 0.000 2.149 69 M HA -0.046 4.434 4.480 0.000 0.000 0.261 69 M C 2.105 178.409 176.300 0.007 0.000 1.064 69 M CA 1.642 56.930 55.300 -0.019 0.000 1.102 69 M CB -0.506 32.082 32.600 -0.021 0.000 1.369 69 M HN 0.312 nan 8.290 nan 0.000 0.408 70 G N -0.118 108.698 108.800 0.026 0.000 2.459 70 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 70 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 70 G C 1.614 176.522 174.900 0.012 0.000 1.183 70 G CA 1.041 46.157 45.100 0.026 0.000 0.776 70 G HN 0.547 nan 8.290 nan 0.000 0.552 71 A N -0.026 122.799 122.820 0.007 0.000 1.877 71 A HA -0.086 4.234 4.320 0.000 0.000 0.216 71 A C 2.412 179.991 177.584 -0.007 0.000 1.186 71 A CA 2.068 54.105 52.037 -0.001 0.000 0.620 71 A CB -0.421 18.576 19.000 -0.004 0.000 0.822 71 A HN 0.311 nan 8.150 nan 0.000 0.443 72 Q N -0.529 119.264 119.800 -0.012 0.000 2.170 72 Q HA -0.133 4.207 4.340 0.000 0.000 0.203 72 Q C 2.121 178.113 176.000 -0.014 0.000 0.976 72 Q CA 1.598 57.391 55.803 -0.018 0.000 0.858 72 Q CB -0.568 28.156 28.738 -0.024 0.000 0.907 72 Q HN 0.796 nan 8.270 nan 0.000 0.433 73 M N -0.331 119.265 119.600 -0.006 0.000 2.077 73 M HA -0.121 4.359 4.480 0.000 0.000 0.261 73 M C 2.299 178.599 176.300 0.001 0.000 1.070 73 M CA 1.456 56.756 55.300 -0.001 0.000 1.125 73 M CB -0.481 32.124 32.600 0.008 0.000 1.339 73 M HN 0.170 nan 8.290 nan 0.000 0.409 74 V N -0.240 119.676 119.914 0.003 0.000 2.548 74 V HA -0.197 3.923 4.120 0.000 0.000 0.249 74 V C 2.109 178.197 176.094 -0.011 0.000 1.055 74 V CA 1.860 64.163 62.300 0.005 0.000 1.065 74 V CB -0.633 31.196 31.823 0.010 0.000 0.681 74 V HN 0.462 nan 8.190 nan 0.000 0.462 75 K N -0.526 119.864 120.400 -0.016 0.000 2.103 75 K HA -0.224 4.096 4.320 0.000 0.000 0.207 75 K C 2.324 178.899 176.600 -0.042 0.000 1.048 75 K CA 1.976 58.247 56.287 -0.027 0.000 0.930 75 K CB -0.157 32.328 32.500 -0.025 0.000 0.716 75 K HN 0.559 nan 8.250 nan 0.000 0.444 76 E N 0.141 120.318 120.200 -0.039 0.000 2.028 76 E HA -0.144 4.206 4.350 0.000 0.000 0.191 76 E C 2.066 178.616 176.600 -0.084 0.000 0.988 76 E CA 1.610 57.978 56.400 -0.052 0.000 0.799 76 E CB -0.151 29.528 29.700 -0.034 0.000 0.755 76 E HN 0.318 nan 8.360 nan 0.000 0.447 77 V N -0.920 118.958 119.914 -0.060 0.000 2.667 77 V HA 0.010 4.130 4.120 0.000 0.000 0.252 77 V C 2.248 178.231 176.094 -0.185 0.000 1.065 77 V CA 1.624 63.869 62.300 -0.091 0.000 1.083 77 V CB -0.660 31.199 31.823 0.060 0.000 0.692 77 V HN 0.167 nan 8.190 nan 0.000 0.468 78 A N 1.814 124.576 122.820 -0.098 0.000 1.902 78 A HA -0.157 4.163 4.320 0.000 0.000 0.217 78 A C 2.628 180.115 177.584 -0.162 0.000 1.181 78 A CA 2.473 54.456 52.037 -0.091 0.000 0.623 78 A CB -1.080 17.895 19.000 -0.042 0.000 0.818 78 A HN 0.983 nan 8.150 nan 0.000 0.443 79 S N -0.030 115.576 115.700 -0.156 0.000 2.419 79 S HA -0.177 4.293 4.470 0.000 0.000 0.233 79 S C 1.786 176.237 174.600 -0.248 0.000 1.016 79 S CA 1.450 59.555 58.200 -0.159 0.000 0.974 79 S CB -0.427 62.704 63.200 -0.116 0.000 0.786 79 S HN 0.590 nan 8.310 nan 0.000 0.492 80 K N 1.401 121.563 120.400 -0.397 0.000 2.152 80 K HA -0.027 4.293 4.320 0.000 0.000 0.206 80 K C 2.474 178.676 176.600 -0.664 0.000 1.048 80 K CA 1.194 57.119 56.287 -0.603 0.000 0.933 80 K CB -0.562 31.338 32.500 -0.999 0.000 0.721 80 K HN 0.556 nan 8.250 nan 0.000 0.447 81 A N 1.802 124.263 122.820 -0.599 0.000 1.845 81 A HA -0.226 4.094 4.320 0.000 0.000 0.215 81 A C 1.918 179.440 177.584 -0.103 0.000 1.195 81 A CA 1.897 53.814 52.037 -0.200 0.000 0.616 81 A CB -0.770 18.211 19.000 -0.031 0.000 0.832 81 A HN 0.276 nan 8.150 nan 0.000 0.443 82 N N 0.144 118.771 118.700 -0.121 0.000 2.137 82 N HA -0.163 4.577 4.740 0.000 0.000 0.190 82 N C 1.146 176.584 175.510 -0.120 0.000 1.017 82 N CA 1.733 54.722 53.050 -0.102 0.000 0.859 82 N CB -0.202 38.224 38.487 -0.101 0.000 1.002 82 N HN 0.455 nan 8.380 nan 0.000 0.428 83 D N -0.487 119.833 120.400 -0.133 0.000 2.117 83 D HA -0.054 4.586 4.640 0.000 0.000 0.198 83 D C 1.723 177.977 176.300 -0.077 0.000 0.982 83 D CA 1.155 55.084 54.000 -0.117 0.000 0.828 83 D CB -0.407 40.322 40.800 -0.119 0.000 0.967 83 D HN 0.356 nan 8.370 nan 0.000 0.464 84 A N 0.249 123.045 122.820 -0.041 0.000 1.968 84 A HA 0.233 4.553 4.320 0.000 0.000 0.217 84 A C 1.923 179.521 177.584 0.023 0.000 1.169 84 A CA 1.708 53.763 52.037 0.029 0.000 0.638 84 A CB 0.047 19.128 19.000 0.136 0.000 0.812 84 A HN 0.221 nan 8.150 nan 0.000 0.446 85 A N -2.828 119.993 122.820 0.002 0.000 2.628 85 A HA 0.479 4.799 4.320 0.000 0.000 0.267 85 A C 1.476 179.043 177.584 -0.029 0.000 1.159 85 A CA 0.925 52.967 52.037 0.007 0.000 0.972 85 A CB -0.372 18.646 19.000 0.031 0.000 1.211 85 A HN 1.822 nan 8.150 nan 0.000 0.576 86 G N -0.502 108.237 108.800 -0.100 0.000 2.155 86 G HA2 -0.182 3.778 3.960 0.000 0.000 0.257 86 G HA3 -0.182 3.778 3.960 0.000 0.000 0.257 86 G C -0.151 174.694 174.900 -0.092 0.000 0.983 86 G CA 0.761 45.753 45.100 -0.179 0.000 0.676 86 G HN 0.919 nan 8.290 nan 0.000 0.528 87 D N -3.092 117.276 120.400 -0.052 0.000 2.755 87 D HA 0.561 5.201 4.640 0.000 0.000 0.277 87 D C 0.822 177.114 176.300 -0.014 0.000 1.261 87 D CA 1.393 55.376 54.000 -0.028 0.000 0.759 87 D CB 0.349 41.145 40.800 -0.007 0.000 1.279 87 D HN 1.364 nan 8.370 nan 0.000 0.420 88 G N -0.125 108.670 108.800 -0.008 0.000 2.184 88 G HA2 -0.283 3.677 3.960 0.000 0.000 0.206 88 G HA3 -0.283 3.677 3.960 0.000 0.000 0.206 88 G C 1.041 175.940 174.900 -0.001 0.000 0.995 88 G CA 1.392 46.495 45.100 0.005 0.000 0.651 88 G HN 0.953 nan 8.290 nan 0.000 0.511 89 T N -1.586 112.955 114.554 -0.022 0.000 2.708 89 T HA -0.113 4.237 4.350 0.000 0.000 0.266 89 T C 2.222 176.913 174.700 -0.014 0.000 1.037 89 T CA 2.619 64.701 62.100 -0.030 0.000 1.146 89 T CB -0.857 67.983 68.868 -0.047 0.000 0.865 89 T HN 0.299 nan 8.240 nan 0.000 0.435 90 T N 1.910 116.457 114.554 -0.012 0.000 2.684 90 T HA -0.123 4.227 4.350 0.000 0.000 0.267 90 T C 2.275 176.976 174.700 0.002 0.000 1.036 90 T CA 1.953 64.049 62.100 -0.006 0.000 1.148 90 T CB -1.068 67.796 68.868 -0.006 0.000 0.863 90 T HN 0.523 nan 8.240 nan 0.000 0.436 91 T N 2.031 116.588 114.554 0.006 0.000 2.652 91 T HA -0.100 4.250 4.350 0.000 0.000 0.267 91 T C 2.380 177.092 174.700 0.020 0.000 1.039 91 T CA 1.340 63.448 62.100 0.013 0.000 1.153 91 T CB -0.678 68.200 68.868 0.017 0.000 0.863 91 T HN 0.444 nan 8.240 nan 0.000 0.428 92 A N 1.158 123.993 122.820 0.026 0.000 1.948 92 A HA -0.177 4.143 4.320 0.000 0.000 0.220 92 A C 2.552 180.153 177.584 0.028 0.000 1.177 92 A CA 2.299 54.360 52.037 0.040 0.000 0.636 92 A CB -1.304 17.728 19.000 0.052 0.000 0.815 92 A HN 0.506 nan 8.150 nan 0.000 0.449 93 T N -0.387 114.175 114.554 0.014 0.000 2.708 93 T HA -0.129 4.221 4.350 0.000 0.000 0.266 93 T C 2.011 176.717 174.700 0.010 0.000 1.037 93 T CA 1.976 64.081 62.100 0.009 0.000 1.146 93 T CB -0.701 68.166 68.868 -0.000 0.000 0.865 93 T HN 0.706 nan 8.240 nan 0.000 0.435 94 V N 0.429 120.348 119.914 0.010 0.000 2.548 94 V HA 0.030 4.150 4.120 0.000 0.000 0.249 94 V C 2.199 178.300 176.094 0.012 0.000 1.055 94 V CA 1.284 63.589 62.300 0.009 0.000 1.065 94 V CB -0.985 30.842 31.823 0.007 0.000 0.681 94 V HN 0.451 nan 8.190 nan 0.000 0.462 95 L N 0.608 121.840 121.223 0.016 0.000 2.046 95 L HA -0.041 4.299 4.340 0.000 0.000 0.208 95 L C 3.049 179.930 176.870 0.019 0.000 1.077 95 L CA 1.689 56.541 54.840 0.018 0.000 0.747 95 L CB -0.862 41.211 42.059 0.024 0.000 0.896 95 L HN 0.466 nan 8.230 nan 0.000 0.432 96 A N -0.511 122.322 122.820 0.022 0.000 1.898 96 A HA -0.280 4.040 4.320 0.000 0.000 0.216 96 A C 2.252 179.846 177.584 0.017 0.000 1.181 96 A CA 1.767 53.818 52.037 0.023 0.000 0.620 96 A CB -0.566 18.449 19.000 0.026 0.000 0.819 96 A HN 0.497 nan 8.150 nan 0.000 0.442 97 Q N -0.445 119.363 119.800 0.013 0.000 2.124 97 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 97 Q C 2.134 178.139 176.000 0.010 0.000 0.977 97 Q CA 1.675 57.485 55.803 0.011 0.000 0.850 97 Q CB -0.344 28.399 28.738 0.008 0.000 0.901 97 Q HN 0.599 nan 8.270 nan 0.000 0.429 98 A N 0.865 123.691 122.820 0.010 0.000 1.855 98 A HA -0.145 4.175 4.320 0.000 0.000 0.215 98 A C 2.001 179.591 177.584 0.009 0.000 1.191 98 A CA 1.399 53.442 52.037 0.009 0.000 0.613 98 A CB -0.663 18.342 19.000 0.009 0.000 0.829 98 A HN 0.478 nan 8.150 nan 0.000 0.442 99 I N -0.303 120.274 120.570 0.011 0.000 2.179 99 I HA -0.249 3.921 4.170 0.000 0.000 0.242 99 I C 2.339 178.463 176.117 0.011 0.000 1.088 99 I CA 1.308 62.614 61.300 0.011 0.000 1.357 99 I CB -0.420 37.588 38.000 0.013 0.000 1.051 99 I HN 0.295 nan 8.210 nan 0.000 0.409 100 I N 0.434 121.011 120.570 0.012 0.000 2.179 100 I HA -0.276 3.894 4.170 0.000 0.000 0.242 100 I C 2.624 178.747 176.117 0.010 0.000 1.088 100 I CA 1.587 62.894 61.300 0.012 0.000 1.357 100 I CB -0.619 37.389 38.000 0.014 0.000 1.051 100 I HN 0.248 nan 8.210 nan 0.000 0.409 101 T N 0.286 114.845 114.554 0.009 0.000 2.652 101 T HA -0.179 4.171 4.350 0.000 0.000 0.267 101 T C 1.840 176.544 174.700 0.006 0.000 1.039 101 T CA 1.399 63.503 62.100 0.007 0.000 1.153 101 T CB -0.165 68.706 68.868 0.006 0.000 0.863 101 T HN 0.285 nan 8.240 nan 0.000 0.428 102 E N 0.544 120.747 120.200 0.006 0.000 2.072 102 E HA 0.007 4.357 4.350 0.000 0.000 0.190 102 E C 2.579 179.182 176.600 0.006 0.000 0.982 102 E CA 1.008 57.411 56.400 0.005 0.000 0.803 102 E CB -0.920 28.783 29.700 0.005 0.000 0.755 102 E HN 0.553 nan 8.360 nan 0.000 0.453 103 G N 1.528 110.332 108.800 0.007 0.000 2.469 103 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 103 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 103 G C 1.728 176.633 174.900 0.007 0.000 1.150 103 G CA 0.682 45.786 45.100 0.007 0.000 0.763 103 G HN 0.190 nan 8.290 nan 0.000 0.561 104 L N -0.310 120.917 121.223 0.007 0.000 2.141 104 L HA -0.010 4.330 4.340 0.000 0.000 0.209 104 L C 2.954 179.827 176.870 0.005 0.000 1.094 104 L CA 0.989 55.834 54.840 0.007 0.000 0.763 104 L CB -0.284 41.779 42.059 0.007 0.000 0.908 104 L HN 0.193 nan 8.230 nan 0.000 0.437 105 K N 0.192 120.595 120.400 0.004 0.000 2.026 105 K HA -0.171 4.149 4.320 0.000 0.000 0.208 105 K C 2.258 178.860 176.600 0.003 0.000 1.048 105 K CA 1.467 57.756 56.287 0.003 0.000 0.929 105 K CB -0.258 32.243 32.500 0.003 0.000 0.713 105 K HN 0.269 nan 8.250 nan 0.000 0.439 106 A N 0.943 123.766 122.820 0.004 0.000 1.940 106 A HA -0.154 4.166 4.320 0.000 0.000 0.219 106 A C 2.336 179.922 177.584 0.004 0.000 1.176 106 A CA 1.633 53.672 52.037 0.003 0.000 0.631 106 A CB -0.709 18.293 19.000 0.004 0.000 0.814 106 A HN 0.101 nan 8.150 nan 0.000 0.446 107 V N -0.277 119.640 119.914 0.005 0.000 2.295 107 V HA -0.242 3.878 4.120 0.000 0.000 0.246 107 V C 3.037 179.134 176.094 0.004 0.000 1.049 107 V CA 1.960 64.264 62.300 0.006 0.000 1.024 107 V CB -1.237 30.591 31.823 0.008 0.000 0.648 107 V HN 0.617 nan 8.190 nan 0.000 0.447 108 A N -0.084 122.738 122.820 0.003 0.000 2.019 108 A HA -0.026 4.294 4.320 0.000 0.000 0.219 108 A C 2.216 179.801 177.584 0.001 0.000 1.164 108 A CA 1.681 53.719 52.037 0.002 0.000 0.644 108 A CB -0.573 18.428 19.000 0.001 0.000 0.805 108 A HN 0.600 nan 8.150 nan 0.000 0.449 109 A N -1.760 121.061 122.820 0.001 0.000 2.235 109 A HA 0.397 4.717 4.320 0.000 0.000 0.208 109 A C 1.744 179.328 177.584 0.000 0.000 1.172 109 A CA 1.216 53.253 52.037 0.000 0.000 0.786 109 A CB -0.919 18.081 19.000 0.001 0.000 0.804 109 A HN 1.853 nan 8.150 nan 0.000 0.479 110 G N -1.848 106.953 108.800 0.001 0.000 2.141 110 G HA2 -0.229 3.731 3.960 0.000 0.000 0.231 110 G HA3 -0.229 3.731 3.960 0.000 0.000 0.231 110 G C 0.162 175.063 174.900 0.001 0.000 0.984 110 G CA 0.261 45.361 45.100 0.000 0.000 0.660 110 G HN 0.386 nan 8.290 nan 0.000 0.525 111 M N 0.461 120.062 119.600 0.002 0.000 2.247 111 M HA 0.248 4.728 4.480 0.000 0.000 0.326 111 M C 0.722 177.024 176.300 0.004 0.000 1.134 111 M CA -0.582 54.719 55.300 0.002 0.000 1.136 111 M CB 0.425 33.026 32.600 0.003 0.000 1.454 111 M HN 0.126 nan 8.290 nan 0.000 0.467 112 N N 2.497 121.199 118.700 0.003 0.000 2.438 112 N HA 0.076 4.816 4.740 0.000 0.000 0.267 112 N C -2.079 173.434 175.510 0.006 0.000 1.222 112 N CA -1.215 51.838 53.050 0.004 0.000 0.930 112 N CB 1.015 39.504 38.487 0.003 0.000 1.083 112 N HN 0.286 nan 8.380 nan 0.000 0.476 113 P HA -0.143 nan 4.420 nan 0.000 0.215 113 P C 1.666 178.971 177.300 0.009 0.000 1.157 113 P CA 1.417 64.522 63.100 0.009 0.000 0.874 113 P CB 0.212 31.920 31.700 0.013 0.000 0.790 114 M N -0.811 118.794 119.600 0.008 0.000 2.117 114 M HA -0.142 4.338 4.480 0.000 0.000 0.262 114 M C 1.566 177.869 176.300 0.005 0.000 1.065 114 M CA 1.679 56.983 55.300 0.007 0.000 1.114 114 M CB -1.811 30.793 32.600 0.007 0.000 1.361 114 M HN -0.003 nan 8.290 nan 0.000 0.408 115 D N 0.415 120.817 120.400 0.004 0.000 2.144 115 D HA -0.042 4.598 4.640 0.000 0.000 0.200 115 D C 2.341 178.643 176.300 0.003 0.000 0.978 115 D CA 0.896 54.898 54.000 0.003 0.000 0.833 115 D CB -0.093 40.708 40.800 0.003 0.000 0.961 115 D HN 0.326 nan 8.370 nan 0.000 0.470 116 L N 0.786 122.012 121.223 0.004 0.000 2.042 116 L HA -0.201 4.139 4.340 0.000 0.000 0.210 116 L C 2.551 179.424 176.870 0.004 0.000 1.076 116 L CA 1.230 56.072 54.840 0.004 0.000 0.749 116 L CB -0.324 41.738 42.059 0.005 0.000 0.893 116 L HN -0.008 nan 8.230 nan 0.000 0.432 117 K N 0.265 120.668 120.400 0.005 0.000 2.057 117 K HA -0.220 4.100 4.320 0.000 0.000 0.207 117 K C 2.323 178.924 176.600 0.002 0.000 1.049 117 K CA 1.258 57.548 56.287 0.004 0.000 0.931 117 K CB -0.034 32.470 32.500 0.006 0.000 0.714 117 K HN 0.065 nan 8.250 nan 0.000 0.440 118 R N -0.249 120.252 120.500 0.001 0.000 2.091 118 R HA -0.115 4.225 4.340 0.000 0.000 0.238 118 R C 2.321 178.621 176.300 -0.001 0.000 1.136 118 R CA 1.775 57.874 56.100 -0.000 0.000 0.959 118 R CB -0.574 29.726 30.300 0.000 0.000 0.856 118 R HN 0.436 nan 8.270 nan 0.000 0.437 119 G N 0.731 109.532 108.800 0.000 0.000 2.421 119 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 119 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 119 G C 1.439 176.339 174.900 -0.000 0.000 1.171 119 G CA 0.872 45.972 45.100 0.000 0.000 0.775 119 G HN 0.254 nan 8.290 nan 0.000 0.543 120 I N 1.053 121.623 120.570 0.000 0.000 2.163 120 I HA -0.165 4.005 4.170 0.000 0.000 0.243 120 I C 2.323 178.438 176.117 -0.003 0.000 1.085 120 I CA 1.337 62.637 61.300 0.000 0.000 1.347 120 I CB -0.200 37.801 38.000 0.002 0.000 1.044 120 I HN 0.070 nan 8.210 nan 0.000 0.408 121 D N 0.760 121.157 120.400 -0.005 0.000 2.117 121 D HA -0.208 4.432 4.640 0.000 0.000 0.197 121 D C 2.062 178.356 176.300 -0.010 0.000 0.987 121 D CA 1.201 55.195 54.000 -0.010 0.000 0.829 121 D CB -0.246 40.548 40.800 -0.011 0.000 0.961 121 D HN 0.284 nan 8.370 nan 0.000 0.460 122 K N 0.790 121.186 120.400 -0.006 0.000 2.032 122 K HA -0.124 4.196 4.320 0.000 0.000 0.209 122 K C 2.028 178.625 176.600 -0.005 0.000 1.048 122 K CA 1.401 57.684 56.287 -0.005 0.000 0.927 122 K CB -0.063 32.435 32.500 -0.003 0.000 0.712 122 K HN 0.022 nan 8.250 nan 0.000 0.441 123 A N 0.525 123.343 122.820 -0.003 0.000 1.933 123 A HA -0.109 4.211 4.320 0.000 0.000 0.218 123 A C 2.224 179.806 177.584 -0.004 0.000 1.175 123 A CA 1.678 53.714 52.037 -0.002 0.000 0.628 123 A CB -0.595 18.405 19.000 0.000 0.000 0.814 123 A HN 0.187 nan 8.150 nan 0.000 0.444 124 V N -0.376 119.534 119.914 -0.007 0.000 2.358 124 V HA -0.219 3.901 4.120 0.000 0.000 0.246 124 V C 2.733 178.818 176.094 -0.014 0.000 1.047 124 V CA 2.441 64.734 62.300 -0.012 0.000 1.035 124 V CB -1.312 30.500 31.823 -0.018 0.000 0.658 124 V HN 0.598 nan 8.190 nan 0.000 0.452 125 T N 0.523 115.068 114.554 -0.015 0.000 2.684 125 T HA -0.201 4.149 4.350 0.000 0.000 0.267 125 T C 2.090 176.785 174.700 -0.009 0.000 1.036 125 T CA 1.755 63.846 62.100 -0.015 0.000 1.148 125 T CB -0.486 68.374 68.868 -0.014 0.000 0.863 125 T HN 0.576 nan 8.240 nan 0.000 0.436 126 A N 1.612 124.428 122.820 -0.006 0.000 1.865 126 A HA 0.059 4.379 4.320 0.000 0.000 0.217 126 A C 2.687 180.271 177.584 -0.000 0.000 1.191 126 A CA 2.087 54.123 52.037 -0.002 0.000 0.623 126 A CB -1.281 17.719 19.000 -0.000 0.000 0.826 126 A HN 0.523 nan 8.150 nan 0.000 0.444 127 A N -0.712 122.108 122.820 -0.001 0.000 1.908 127 A HA -0.051 4.269 4.320 0.000 0.000 0.218 127 A C 2.226 179.810 177.584 0.001 0.000 1.181 127 A CA 1.939 53.977 52.037 0.002 0.000 0.627 127 A CB -0.976 18.025 19.000 0.002 0.000 0.818 127 A HN 0.454 nan 8.150 nan 0.000 0.445 128 V N 0.080 119.991 119.914 -0.005 0.000 2.427 128 V HA -0.185 3.935 4.120 0.000 0.000 0.248 128 V C 2.560 178.653 176.094 -0.002 0.000 1.051 128 V CA 2.026 64.323 62.300 -0.006 0.000 1.048 128 V CB -0.638 31.175 31.823 -0.016 0.000 0.666 128 V HN 0.499 nan 8.190 nan 0.000 0.456 129 E N -0.052 120.147 120.200 -0.002 0.000 2.047 129 E HA -0.207 4.143 4.350 0.000 0.000 0.191 129 E C 2.236 178.839 176.600 0.005 0.000 0.987 129 E CA 1.072 57.473 56.400 0.001 0.000 0.799 129 E CB -0.209 29.492 29.700 0.001 0.000 0.752 129 E HN 0.556 nan 8.360 nan 0.000 0.449 130 E N 0.556 120.760 120.200 0.006 0.000 2.153 130 E HA -0.135 4.215 4.350 0.000 0.000 0.194 130 E C 1.875 178.482 176.600 0.012 0.000 0.988 130 E CA 0.309 56.714 56.400 0.009 0.000 0.811 130 E CB -0.185 29.521 29.700 0.011 0.000 0.746 130 E HN 0.045 nan 8.360 nan 0.000 0.466 131 L N 0.565 121.794 121.223 0.010 0.000 2.056 131 L HA -0.077 4.263 4.340 0.000 0.000 0.207 131 L C 1.841 178.718 176.870 0.012 0.000 1.078 131 L CA 1.733 56.580 54.840 0.012 0.000 0.749 131 L CB -0.284 41.781 42.059 0.009 0.000 0.901 131 L HN 0.000 nan 8.230 nan 0.000 0.433 132 K N -1.076 119.329 120.400 0.009 0.000 2.097 132 K HA -0.117 4.203 4.320 0.000 0.000 0.206 132 K C 2.077 178.684 176.600 0.011 0.000 1.049 132 K CA 1.249 57.541 56.287 0.009 0.000 0.933 132 K CB -0.296 32.208 32.500 0.007 0.000 0.717 132 K HN 0.386 nan 8.250 nan 0.000 0.442 133 A N 1.444 124.271 122.820 0.011 0.000 1.877 133 A HA -0.144 4.176 4.320 0.000 0.000 0.216 133 A C 2.080 179.673 177.584 0.015 0.000 1.186 133 A CA 1.144 53.188 52.037 0.012 0.000 0.620 133 A CB -0.655 18.352 19.000 0.012 0.000 0.822 133 A HN 0.222 nan 8.150 nan 0.000 0.443 134 L N -0.030 121.204 121.223 0.017 0.000 2.191 134 L HA -0.076 4.264 4.340 0.000 0.000 0.212 134 L C 1.425 178.307 176.870 0.020 0.000 1.103 134 L CA 0.645 55.497 54.840 0.021 0.000 0.769 134 L CB -0.300 41.773 42.059 0.024 0.000 0.908 134 L HN 0.424 nan 8.230 nan 0.000 0.438 135 S N -0.505 115.205 115.700 0.017 0.000 2.552 135 S HA 0.073 4.543 4.470 0.000 0.000 0.289 135 S C -0.196 174.414 174.600 0.016 0.000 1.304 135 S CA -0.456 57.754 58.200 0.016 0.000 1.063 135 S CB 0.605 63.813 63.200 0.014 0.000 0.848 135 S HN 0.034 nan 8.310 nan 0.000 0.499 136 V N 8.271 128.194 119.914 0.016 0.000 2.435 136 V HA 0.394 4.514 4.120 0.000 0.000 0.290 136 V C -2.040 174.062 176.094 0.013 0.000 1.030 136 V CA -1.839 60.470 62.300 0.015 0.000 0.881 136 V CB 1.342 33.174 31.823 0.015 0.000 0.983 136 V HN 0.765 nan 8.190 nan 0.000 0.445 137 P HA 0.168 nan 4.420 nan 0.000 0.272 137 P C -0.600 176.706 177.300 0.010 0.000 1.230 137 P CA -0.209 62.898 63.100 0.011 0.000 0.788 137 P CB 0.462 32.168 31.700 0.010 0.000 0.949 138 C N 2.030 121.336 119.300 0.010 0.000 3.498 138 C HA 0.387 4.847 4.460 0.000 0.000 0.218 138 C C 1.107 176.102 174.990 0.008 0.000 1.284 138 C CA 0.067 59.090 59.018 0.009 0.000 1.343 138 C CB -1.441 26.305 27.740 0.010 0.000 1.825 138 C HN 0.520 nan 8.230 nan 0.000 0.518 139 S N 1.199 116.903 115.700 0.007 0.000 2.514 139 S HA 0.104 4.574 4.470 0.000 0.000 0.223 139 S C 0.332 174.935 174.600 0.005 0.000 1.046 139 S CA 0.226 58.429 58.200 0.006 0.000 0.914 139 S CB 0.077 63.281 63.200 0.007 0.000 0.807 139 S HN 0.957 nan 8.310 nan 0.000 0.497 140 D N 0.812 121.215 120.400 0.004 0.000 2.277 140 D HA 0.306 4.946 4.640 0.000 0.000 0.250 140 D C 1.049 177.351 176.300 0.002 0.000 1.032 140 D CA -0.258 53.744 54.000 0.003 0.000 0.947 140 D CB 0.790 41.592 40.800 0.003 0.000 1.159 140 D HN 0.025 nan 8.370 nan 0.000 0.460 141 S N 0.435 116.136 115.700 0.001 0.000 2.419 141 S HA -0.276 4.194 4.470 0.000 0.000 0.233 141 S C 1.596 176.196 174.600 0.000 0.000 1.016 141 S CA 1.135 59.335 58.200 0.000 0.000 0.974 141 S CB -0.473 62.727 63.200 -0.001 0.000 0.786 141 S HN 0.619 nan 8.310 nan 0.000 0.492 142 K N 1.705 122.105 120.400 0.001 0.000 2.026 142 K HA -0.023 4.298 4.320 0.000 0.000 0.208 142 K C 2.343 178.944 176.600 0.002 0.000 1.048 142 K CA 1.216 57.503 56.287 0.001 0.000 0.929 142 K CB -0.651 31.851 32.500 0.002 0.000 0.713 142 K HN 0.434 nan 8.250 nan 0.000 0.439 143 A N 1.496 124.318 122.820 0.003 0.000 1.873 143 A HA -0.110 4.210 4.320 0.000 0.000 0.215 143 A C 2.110 179.696 177.584 0.003 0.000 1.186 143 A CA 1.448 53.488 52.037 0.004 0.000 0.616 143 A CB -0.630 18.373 19.000 0.005 0.000 0.823 143 A HN 0.358 nan 8.150 nan 0.000 0.442 144 I N -0.060 120.511 120.570 0.002 0.000 2.185 144 I HA -0.370 3.800 4.170 0.000 0.000 0.246 144 I C 2.945 179.061 176.117 -0.001 0.000 1.088 144 I CA 1.305 62.606 61.300 0.001 0.000 1.347 144 I CB -0.364 37.636 38.000 -0.000 0.000 1.041 144 I HN 0.392 nan 8.210 nan 0.000 0.415 145 A N 0.038 122.857 122.820 -0.001 0.000 1.873 145 A HA -0.233 4.087 4.320 0.000 0.000 0.215 145 A C 2.255 179.838 177.584 -0.002 0.000 1.186 145 A CA 1.414 53.449 52.037 -0.003 0.000 0.616 145 A CB -0.602 18.396 19.000 -0.003 0.000 0.823 145 A HN 0.453 nan 8.150 nan 0.000 0.442 146 Q N -0.406 119.394 119.800 -0.000 0.000 2.061 146 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 146 Q C 2.179 178.179 176.000 0.000 0.000 0.984 146 Q CA 1.902 57.705 55.803 0.000 0.000 0.846 146 Q CB -0.445 28.293 28.738 0.001 0.000 0.902 146 Q HN 0.491 nan 8.270 nan 0.000 0.421 147 V N 0.426 120.342 119.914 0.002 0.000 2.295 147 V HA -0.226 3.894 4.120 0.000 0.000 0.246 147 V C 2.253 178.348 176.094 0.003 0.000 1.049 147 V CA 2.012 64.315 62.300 0.004 0.000 1.024 147 V CB -1.261 30.566 31.823 0.006 0.000 0.648 147 V HN 0.564 nan 8.190 nan 0.000 0.447 148 G N -0.418 108.382 108.800 0.000 0.000 2.442 148 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 148 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 148 G C 1.677 176.575 174.900 -0.003 0.000 1.141 148 G CA 1.582 46.681 45.100 -0.002 0.000 0.763 148 G HN 0.487 nan 8.290 nan 0.000 0.554 149 T N 1.500 116.052 114.554 -0.003 0.000 2.708 149 T HA -0.066 4.284 4.350 0.000 0.000 0.266 149 T C 2.384 177.082 174.700 -0.003 0.000 1.037 149 T CA 1.091 63.188 62.100 -0.004 0.000 1.146 149 T CB -0.181 68.685 68.868 -0.004 0.000 0.865 149 T HN 0.276 nan 8.240 nan 0.000 0.435 150 I N 1.409 121.977 120.570 -0.003 0.000 2.286 150 I HA -0.169 4.001 4.170 0.000 0.000 0.248 150 I C 2.595 178.711 176.117 -0.001 0.000 1.115 150 I CA 1.002 62.299 61.300 -0.003 0.000 1.392 150 I CB -0.432 37.566 38.000 -0.003 0.000 1.065 150 I HN 0.202 nan 8.210 nan 0.000 0.418 151 S N 0.930 116.631 115.700 0.002 0.000 2.387 151 S HA -0.015 4.455 4.470 0.000 0.000 0.226 151 S C 1.953 176.556 174.600 0.005 0.000 1.026 151 S CA 1.053 59.256 58.200 0.006 0.000 0.972 151 S CB -0.221 62.986 63.200 0.012 0.000 0.814 151 S HN 0.519 nan 8.310 nan 0.000 0.477 152 A N 1.283 124.104 122.820 0.001 0.000 2.291 152 A HA 0.288 4.608 4.320 0.000 0.000 0.220 152 A C 0.746 178.329 177.584 -0.002 0.000 1.262 152 A CA 0.147 52.183 52.037 -0.001 0.000 0.867 152 A CB -0.799 18.198 19.000 -0.004 0.000 0.888 152 A HN 0.486 nan 8.150 nan 0.000 0.487 153 N N -0.991 117.707 118.700 -0.003 0.000 2.780 153 N HA -0.211 4.529 4.740 0.000 0.000 0.247 153 N C 0.123 175.628 175.510 -0.007 0.000 1.076 153 N CA 1.056 54.103 53.050 -0.005 0.000 0.688 153 N CB -1.913 36.571 38.487 -0.005 0.000 0.957 153 N HN 0.491 nan 8.380 nan 0.000 0.551 154 S N -1.542 114.154 115.700 -0.007 0.000 3.593 154 S HA -0.210 4.260 4.470 0.000 0.000 0.301 154 S C -0.477 174.119 174.600 -0.006 0.000 1.209 154 S CA 0.714 58.910 58.200 -0.007 0.000 0.878 154 S CB -1.084 62.110 63.200 -0.009 0.000 1.000 154 S HN 0.725 nan 8.310 nan 0.000 0.578 155 D N 1.314 121.711 120.400 -0.005 0.000 2.456 155 D HA 0.287 4.927 4.640 0.000 0.000 0.219 155 D C 1.093 177.390 176.300 -0.005 0.000 1.126 155 D CA -0.356 53.640 54.000 -0.005 0.000 0.890 155 D CB 0.487 41.283 40.800 -0.005 0.000 1.025 155 D HN 0.445 nan 8.370 nan 0.000 0.511 156 E N 1.053 121.249 120.200 -0.005 0.000 2.219 156 E HA -0.164 4.186 4.350 0.000 0.000 0.198 156 E C 1.357 177.954 176.600 -0.006 0.000 0.998 156 E CA 1.123 57.520 56.400 -0.005 0.000 0.818 156 E CB 0.316 30.013 29.700 -0.004 0.000 0.741 156 E HN 0.475 nan 8.360 nan 0.000 0.477 157 T N 0.705 115.256 114.554 -0.006 0.000 2.622 157 T HA -0.163 4.187 4.350 0.000 0.000 0.266 157 T C 2.114 176.809 174.700 -0.008 0.000 1.047 157 T CA 1.473 63.569 62.100 -0.007 0.000 1.159 157 T CB -0.314 68.550 68.868 -0.006 0.000 0.863 157 T HN 0.006 nan 8.240 nan 0.000 0.422 158 V N 1.522 121.430 119.914 -0.008 0.000 2.287 158 V HA -0.156 3.964 4.120 0.000 0.000 0.248 158 V C 2.894 178.981 176.094 -0.011 0.000 1.053 158 V CA 2.049 64.342 62.300 -0.011 0.000 1.027 158 V CB -1.554 30.263 31.823 -0.010 0.000 0.646 158 V HN 0.623 nan 8.190 nan 0.000 0.447 159 G N -0.379 108.416 108.800 -0.008 0.000 2.476 159 G HA2 -0.357 3.603 3.960 0.000 0.000 0.218 159 G HA3 -0.357 3.603 3.960 0.000 0.000 0.218 159 G C 1.645 176.540 174.900 -0.008 0.000 1.164 159 G CA 1.283 46.379 45.100 -0.008 0.000 0.768 159 G HN 0.512 nan 8.290 nan 0.000 0.560 160 K N -0.028 120.368 120.400 -0.007 0.000 2.009 160 K HA -0.001 4.319 4.320 0.000 0.000 0.210 160 K C 2.585 179.179 176.600 -0.009 0.000 1.049 160 K CA 1.037 57.319 56.287 -0.007 0.000 0.929 160 K CB -0.330 32.167 32.500 -0.006 0.000 0.714 160 K HN 0.341 nan 8.250 nan 0.000 0.440 161 L N 1.006 122.223 121.223 -0.011 0.000 1.971 161 L HA -0.260 4.080 4.340 0.000 0.000 0.215 161 L C 2.521 179.381 176.870 -0.016 0.000 1.072 161 L CA 1.570 56.402 54.840 -0.013 0.000 0.758 161 L CB -0.416 41.634 42.059 -0.015 0.000 0.889 161 L HN 0.292 nan 8.230 nan 0.000 0.433 162 I N -0.512 120.047 120.570 -0.018 0.000 2.208 162 I HA -0.329 3.841 4.170 0.000 0.000 0.245 162 I C 2.744 178.852 176.117 -0.015 0.000 1.097 162 I CA 1.243 62.530 61.300 -0.021 0.000 1.363 162 I CB -0.502 37.485 38.000 -0.022 0.000 1.051 162 I HN 0.268 nan 8.210 nan 0.000 0.413 163 A N 0.548 123.361 122.820 -0.011 0.000 1.902 163 A HA -0.209 4.111 4.320 0.000 0.000 0.217 163 A C 2.196 179.776 177.584 -0.008 0.000 1.181 163 A CA 1.609 53.641 52.037 -0.008 0.000 0.623 163 A CB -0.527 18.469 19.000 -0.006 0.000 0.818 163 A HN 0.467 nan 8.150 nan 0.000 0.443 164 E N -0.103 120.091 120.200 -0.009 0.000 2.072 164 E HA -0.089 4.261 4.350 0.000 0.000 0.191 164 E C 2.326 178.921 176.600 -0.009 0.000 0.985 164 E CA 0.885 57.280 56.400 -0.008 0.000 0.801 164 E CB -0.312 29.383 29.700 -0.008 0.000 0.750 164 E HN 0.610 nan 8.360 nan 0.000 0.452 165 A N 1.471 124.284 122.820 -0.012 0.000 1.877 165 A HA -0.184 4.136 4.320 0.000 0.000 0.216 165 A C 2.201 179.778 177.584 -0.012 0.000 1.186 165 A CA 1.449 53.478 52.037 -0.014 0.000 0.620 165 A CB -0.471 18.518 19.000 -0.020 0.000 0.822 165 A HN 0.131 nan 8.150 nan 0.000 0.443 166 M N -1.029 118.564 119.600 -0.011 0.000 2.296 166 M HA -0.125 4.355 4.480 0.000 0.000 0.265 166 M C 1.765 178.062 176.300 -0.005 0.000 1.064 166 M CA 1.726 57.021 55.300 -0.008 0.000 1.109 166 M CB -0.495 32.101 32.600 -0.007 0.000 1.396 166 M HN 0.475 nan 8.290 nan 0.000 0.430 167 D N 0.675 121.072 120.400 -0.005 0.000 2.178 167 D HA -0.124 4.516 4.640 0.000 0.000 0.202 167 D C 1.986 178.283 176.300 -0.004 0.000 0.974 167 D CA 1.114 55.111 54.000 -0.004 0.000 0.841 167 D CB 0.273 41.070 40.800 -0.004 0.000 0.953 167 D HN 0.033 nan 8.370 nan 0.000 0.478 168 K N -0.195 120.202 120.400 -0.005 0.000 2.031 168 K HA -0.007 4.313 4.320 0.000 0.000 0.205 168 K C 1.841 178.439 176.600 -0.004 0.000 1.049 168 K CA 1.195 57.479 56.287 -0.005 0.000 0.939 168 K CB -0.212 32.284 32.500 -0.006 0.000 0.717 168 K HN 0.300 nan 8.250 nan 0.000 0.438 169 V N -3.017 116.894 119.914 -0.004 0.000 3.427 169 V HA 0.438 4.558 4.120 0.000 0.000 0.305 169 V C 0.440 176.533 176.094 -0.001 0.000 1.412 169 V CA 0.062 62.361 62.300 -0.003 0.000 1.086 169 V CB -0.231 31.590 31.823 -0.003 0.000 0.964 169 V HN 0.346 nan 8.190 nan 0.000 0.439 170 G N 2.094 110.893 108.800 -0.002 0.000 2.712 170 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 170 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 170 G C 0.067 174.967 174.900 -0.000 0.000 1.321 170 G CA -0.129 44.971 45.100 -0.000 0.000 0.813 170 G HN 0.635 nan 8.290 nan 0.000 0.599 171 K N -0.136 120.265 120.400 0.001 0.000 2.525 171 K HA 0.109 4.429 4.320 0.000 0.000 0.192 171 K C 0.589 177.192 176.600 0.004 0.000 1.029 171 K CA 1.117 57.406 56.287 0.002 0.000 1.029 171 K CB 0.523 33.025 32.500 0.003 0.000 0.814 171 K HN 0.436 nan 8.250 nan 0.000 0.503 172 E N 1.226 121.429 120.200 0.005 0.000 2.603 172 E HA 0.119 4.469 4.350 0.000 0.000 0.211 172 E C 0.397 177.002 176.600 0.008 0.000 0.995 172 E CA -0.083 56.323 56.400 0.009 0.000 0.990 172 E CB 1.189 30.895 29.700 0.011 0.000 1.036 172 E HN 0.361 nan 8.360 nan 0.000 0.475 173 G N 0.600 109.402 108.800 0.004 0.000 2.477 173 G HA2 0.360 4.320 3.960 0.000 0.000 0.304 173 G HA3 0.360 4.320 3.960 0.000 0.000 0.304 173 G C 0.088 174.988 174.900 -0.000 0.000 1.175 173 G CA -0.451 44.651 45.100 0.003 0.000 0.907 173 G HN -0.056 nan 8.290 nan 0.000 0.509 174 V N 1.003 120.918 119.914 0.001 0.000 2.572 174 V HA 0.269 4.389 4.120 0.000 0.000 0.291 174 V C 0.254 176.341 176.094 -0.012 0.000 1.039 174 V CA 0.405 62.703 62.300 -0.003 0.000 1.055 174 V CB 0.348 32.174 31.823 0.004 0.000 0.969 174 V HN 0.424 nan 8.190 nan 0.000 0.482 175 I N 4.168 124.724 120.570 -0.024 0.000 2.534 175 I HA 0.467 4.637 4.170 0.000 0.000 0.288 175 I C -0.171 175.919 176.117 -0.045 0.000 1.077 175 I CA -0.192 61.088 61.300 -0.033 0.000 1.051 175 I CB 2.419 40.394 38.000 -0.042 0.000 1.234 175 I HN 0.539 nan 8.210 nan 0.000 0.425 176 T N 4.772 119.304 114.554 -0.037 0.000 2.924 176 T HA 0.650 5.000 4.350 0.000 0.000 0.291 176 T C -0.597 174.080 174.700 -0.037 0.000 1.045 176 T CA -0.664 61.414 62.100 -0.038 0.000 1.015 176 T CB 2.567 71.420 68.868 -0.024 0.000 1.103 176 T HN 0.446 nan 8.240 nan 0.000 0.496 177 V N -0.440 119.452 119.914 -0.036 0.000 2.680 177 V HA 0.871 4.991 4.120 0.000 0.000 0.309 177 V C -1.041 175.041 176.094 -0.019 0.000 1.052 177 V CA -0.772 61.510 62.300 -0.030 0.000 0.908 177 V CB 1.783 33.583 31.823 -0.037 0.000 1.001 177 V HN 0.956 nan 8.190 nan 0.000 0.431 178 E N 1.859 122.050 120.200 -0.016 0.000 2.416 178 E HA 0.419 4.769 4.350 0.000 0.000 0.273 178 E C -1.623 174.971 176.600 -0.010 0.000 0.935 178 E CA -1.043 55.350 56.400 -0.011 0.000 0.784 178 E CB 1.802 31.495 29.700 -0.011 0.000 1.301 178 E HN 0.788 nan 8.360 nan 0.000 0.454 179 D N 1.011 121.407 120.400 -0.007 0.000 2.423 179 D HA 0.149 4.789 4.640 0.000 0.000 0.238 179 D C 0.248 176.544 176.300 -0.007 0.000 1.142 179 D CA 0.396 54.392 54.000 -0.006 0.000 0.884 179 D CB 0.885 41.683 40.800 -0.005 0.000 1.199 179 D HN 0.501 nan 8.370 nan 0.000 0.438 180 G N -0.482 108.313 108.800 -0.007 0.000 2.547 180 G HA2 0.272 4.232 3.960 0.000 0.000 0.291 180 G HA3 0.272 4.232 3.960 0.000 0.000 0.291 180 G C 1.024 175.920 174.900 -0.007 0.000 1.211 180 G CA -0.229 44.867 45.100 -0.007 0.000 0.950 180 G HN 0.444 nan 8.290 nan 0.000 0.504 181 T N -3.257 111.293 114.554 -0.007 0.000 3.113 181 T HA 0.419 4.769 4.350 0.000 0.000 0.256 181 T C 1.041 175.737 174.700 -0.006 0.000 1.131 181 T CA 0.724 62.820 62.100 -0.006 0.000 1.074 181 T CB -0.126 68.738 68.868 -0.007 0.000 0.944 181 T HN 2.101 nan 8.240 nan 0.000 0.516 182 G N 1.560 110.356 108.800 -0.005 0.000 3.305 182 G HA2 0.311 4.271 3.960 0.000 0.000 0.649 182 G HA3 0.311 4.271 3.960 0.000 0.000 0.649 182 G C -0.747 174.150 174.900 -0.005 0.000 1.255 182 G CA -0.701 44.396 45.100 -0.005 0.000 1.137 182 G HN 0.752 nan 8.290 nan 0.000 0.535 183 L N 1.073 122.293 121.223 -0.004 0.000 1.712 183 L HA -0.174 4.166 4.340 0.000 0.000 0.402 183 L C 0.286 177.154 176.870 -0.005 0.000 1.004 183 L CA 2.351 57.189 54.840 -0.004 0.000 1.208 183 L CB -0.585 41.472 42.059 -0.004 0.000 0.528 183 L HN 1.941 nan 8.230 nan 0.000 0.369 184 Q N 2.312 122.109 119.800 -0.005 0.000 3.120 184 Q HA -0.071 4.269 4.340 0.000 0.000 0.070 184 Q C -0.587 175.409 176.000 -0.006 0.000 1.644 184 Q CA 0.830 56.630 55.803 -0.005 0.000 0.291 184 Q CB -0.116 28.619 28.738 -0.005 0.000 0.583 184 Q HN 0.691 nan 8.270 nan 0.000 0.322 185 D N 2.491 122.887 120.400 -0.007 0.000 2.377 185 D HA 0.311 4.951 4.640 0.000 0.000 0.245 185 D C -0.030 176.265 176.300 -0.008 0.000 1.196 185 D CA 0.170 54.165 54.000 -0.008 0.000 0.962 185 D CB 0.719 41.514 40.800 -0.009 0.000 1.127 185 D HN 0.360 nan 8.370 nan 0.000 0.471 186 E N -0.230 119.964 120.200 -0.009 0.000 2.304 186 E HA 0.401 4.751 4.350 0.000 0.000 0.277 186 E C -1.296 175.298 176.600 -0.010 0.000 0.898 186 E CA -0.769 55.626 56.400 -0.009 0.000 0.764 186 E CB 2.335 32.030 29.700 -0.008 0.000 1.216 186 E HN 0.073 nan 8.360 nan 0.000 0.419 187 L N 3.245 124.462 121.223 -0.009 0.000 2.343 187 L HA 0.530 4.870 4.340 0.000 0.000 0.278 187 L C -1.653 175.212 176.870 -0.009 0.000 0.996 187 L CA -0.157 54.676 54.840 -0.010 0.000 0.831 187 L CB 1.095 43.147 42.059 -0.010 0.000 1.232 187 L HN 0.421 nan 8.230 nan 0.000 0.413 188 D N 4.316 124.710 120.400 -0.009 0.000 2.671 188 D HA 0.470 5.110 4.640 0.000 0.000 0.232 188 D C -1.062 175.234 176.300 -0.007 0.000 1.114 188 D CA -0.267 53.729 54.000 -0.008 0.000 0.858 188 D CB 2.781 43.576 40.800 -0.008 0.000 1.544 188 D HN 0.256 nan 8.370 nan 0.000 0.471 189 V N 1.368 121.278 119.914 -0.006 0.000 2.398 189 V HA 0.494 4.614 4.120 0.000 0.000 0.286 189 V C 0.520 176.612 176.094 -0.003 0.000 1.026 189 V CA -0.639 61.659 62.300 -0.005 0.000 0.868 189 V CB 1.352 33.172 31.823 -0.004 0.000 0.982 189 V HN 0.502 nan 8.190 nan 0.000 0.443 190 V N 1.475 121.388 119.914 -0.002 0.000 3.164 190 V HA 0.715 4.835 4.120 0.000 0.000 0.313 190 V C -0.367 175.729 176.094 0.002 0.000 1.188 190 V CA -1.049 61.250 62.300 -0.001 0.000 1.058 190 V CB 2.153 33.974 31.823 -0.002 0.000 1.110 190 V HN 0.637 nan 8.190 nan 0.000 0.453 191 E N 1.236 121.438 120.200 0.003 0.000 2.299 191 E HA 0.626 4.976 4.350 0.000 0.000 0.272 191 E C 0.187 176.795 176.600 0.012 0.000 1.043 191 E CA 0.832 57.237 56.400 0.007 0.000 0.895 191 E CB 0.858 30.562 29.700 0.006 0.000 1.011 191 E HN 1.177 nan 8.360 nan 0.000 0.432 192 G N 1.345 110.156 108.800 0.018 0.000 2.548 192 G HA2 0.638 4.598 3.960 0.000 0.000 0.301 192 G HA3 0.638 4.598 3.960 0.000 0.000 0.301 192 G C -1.174 173.751 174.900 0.041 0.000 1.349 192 G CA -0.570 44.547 45.100 0.028 0.000 0.792 192 G HN 0.413 nan 8.290 nan 0.000 0.481 193 M N -0.589 119.049 119.600 0.064 0.000 2.895 193 M HA 0.588 5.068 4.480 0.000 0.000 0.271 193 M C -2.409 173.966 176.300 0.125 0.000 1.174 193 M CA -0.660 54.696 55.300 0.093 0.000 0.816 193 M CB 2.376 35.041 32.600 0.108 0.000 1.647 193 M HN 0.771 nan 8.290 nan 0.000 0.506 194 Q N 2.609 122.500 119.800 0.153 0.000 2.295 194 Q HA 0.610 4.950 4.340 0.000 0.000 0.268 194 Q C -2.266 173.856 176.000 0.204 0.000 1.010 194 Q CA -0.652 55.215 55.803 0.107 0.000 0.856 194 Q CB 1.956 30.704 28.738 0.016 0.000 1.349 194 Q HN 0.565 nan 8.270 nan 0.000 0.412 195 F N -0.156 119.796 119.950 0.004 0.000 2.611 195 F HA 0.579 5.106 4.527 0.000 0.000 0.324 195 F C -0.460 175.343 175.800 0.005 0.000 1.061 195 F CA -1.324 56.680 58.000 0.007 0.000 0.954 195 F CB 1.009 40.015 39.000 0.009 0.000 1.301 195 F HN 0.293 nan 8.300 nan 0.000 0.482 196 D N 2.717 123.210 120.400 0.156 0.000 2.619 196 D HA 0.216 4.856 4.640 0.000 0.000 0.224 196 D C -0.355 175.978 176.300 0.055 0.000 1.133 196 D CA 0.231 54.257 54.000 0.044 0.000 1.017 196 D CB -0.044 40.794 40.800 0.064 0.000 1.077 196 D HN 0.292 nan 8.370 nan 0.000 0.503 197 R N 0.476 120.940 120.500 -0.060 0.000 2.510 197 R HA 0.447 4.787 4.340 0.000 0.000 0.287 197 R C 0.217 176.423 176.300 -0.156 0.000 1.084 197 R CA -0.690 55.401 56.100 -0.014 0.000 0.934 197 R CB 1.942 32.366 30.300 0.207 0.000 1.201 197 R HN 0.234 nan 8.270 nan 0.000 0.431 198 G N 1.322 110.025 108.800 -0.161 0.000 2.535 198 G HA2 0.408 4.368 3.960 0.000 0.000 0.303 198 G HA3 0.408 4.368 3.960 0.000 0.000 0.303 198 G C -0.465 174.329 174.900 -0.177 0.000 1.237 198 G CA -0.511 44.407 45.100 -0.304 0.000 0.986 198 G HN 0.438 nan 8.290 nan 0.000 0.494 199 Y N -1.358 118.974 120.300 0.053 0.000 2.683 199 Y HA 0.187 4.737 4.550 0.000 0.000 0.340 199 Y C 1.187 177.194 175.900 0.179 0.000 1.245 199 Y CA -0.950 57.235 58.100 0.142 0.000 1.485 199 Y CB 0.261 38.853 38.460 0.220 0.000 1.328 199 Y HN 0.187 nan 8.280 nan 0.000 0.603 200 L N 2.132 123.654 121.223 0.499 0.000 2.650 200 L HA 0.097 4.437 4.340 0.000 0.000 0.235 200 L C 0.323 177.398 176.870 0.342 0.000 1.149 200 L CA 0.956 56.022 54.840 0.377 0.000 0.887 200 L CB -0.648 41.620 42.059 0.349 0.000 1.021 200 L HN 0.906 nan 8.230 nan 0.000 0.441 201 S N -3.181 112.757 115.700 0.397 0.000 2.751 201 S HA 0.245 4.715 4.470 0.000 0.000 0.289 201 S C -2.903 171.547 174.600 -0.249 0.000 0.965 201 S CA -1.138 57.108 58.200 0.077 0.000 0.855 201 S CB 0.861 64.021 63.200 -0.066 0.000 1.068 201 S HN -0.254 nan 8.310 nan 0.000 0.462 202 P HA 0.411 nan 4.420 nan 0.000 0.339 202 P C 0.334 177.297 177.300 -0.561 0.000 1.413 202 P CA 0.643 63.263 63.100 -0.800 0.000 0.833 202 P CB -0.115 31.144 31.700 -0.735 0.000 2.004 203 Y N -4.785 115.318 120.300 -0.329 0.000 2.902 203 Y HA -0.300 4.250 4.550 0.000 0.000 0.486 203 Y C 1.894 177.693 175.900 -0.168 0.000 1.163 203 Y CA 1.465 59.407 58.100 -0.264 0.000 2.765 203 Y CB -3.014 35.231 38.460 -0.358 0.000 0.870 203 Y HN 0.092 nan 8.280 nan 0.000 0.536 204 F N 0.342 120.283 119.950 -0.014 0.000 2.269 204 F HA -0.019 4.508 4.527 0.000 0.000 0.301 204 F C 1.536 177.296 175.800 -0.066 0.000 1.082 204 F CA 0.521 58.506 58.000 -0.025 0.000 1.360 204 F CB -0.609 38.377 39.000 -0.022 0.000 1.041 204 F HN -0.022 nan 8.300 nan 0.000 0.512 205 I N 2.511 123.082 120.570 0.002 0.000 2.845 205 I HA -0.210 3.960 4.170 0.000 0.000 0.290 205 I C 0.552 176.678 176.117 0.015 0.000 1.202 205 I CA 0.560 61.836 61.300 -0.041 0.000 1.406 205 I CB -0.023 37.881 38.000 -0.160 0.000 1.383 205 I HN 0.223 nan 8.210 nan 0.000 0.549 206 N N 5.418 124.140 118.700 0.037 0.000 2.200 206 N HA 0.105 4.845 4.740 0.000 0.000 0.224 206 N C -0.226 175.299 175.510 0.025 0.000 1.179 206 N CA -0.275 52.797 53.050 0.036 0.000 0.877 206 N CB 0.547 39.061 38.487 0.045 0.000 1.072 206 N HN 0.398 nan 8.380 nan 0.000 0.519 207 K N 1.061 121.474 120.400 0.022 0.000 2.992 207 K HA 0.205 4.525 4.320 0.000 0.000 0.178 207 K C -2.202 174.407 176.600 0.015 0.000 1.122 207 K CA -1.283 55.016 56.287 0.020 0.000 0.926 207 K CB 2.223 34.739 32.500 0.027 0.000 1.121 207 K HN -0.026 nan 8.250 nan 0.000 0.610 208 P HA -0.222 nan 4.420 nan 0.000 0.217 208 P C 0.516 177.817 177.300 0.002 0.000 1.148 208 P CA 1.493 64.590 63.100 -0.006 0.000 0.828 208 P CB 0.490 32.184 31.700 -0.010 0.000 0.783 209 E N -0.111 120.093 120.200 0.007 0.000 2.097 209 E HA -0.129 4.221 4.350 0.000 0.000 0.196 209 E C 1.734 178.342 176.600 0.013 0.000 1.000 209 E CA 2.021 58.426 56.400 0.009 0.000 0.804 209 E CB -1.327 28.380 29.700 0.011 0.000 0.740 209 E HN 0.325 nan 8.360 nan 0.000 0.454 210 T N -1.266 113.301 114.554 0.022 0.000 3.069 210 T HA 0.294 4.644 4.350 0.000 0.000 0.252 210 T C 1.040 175.766 174.700 0.042 0.000 1.053 210 T CA 0.220 62.339 62.100 0.032 0.000 0.964 210 T CB 0.615 69.508 68.868 0.042 0.000 1.005 210 T HN 0.356 nan 8.240 nan 0.000 0.532 211 G N 1.884 110.706 108.800 0.037 0.000 2.338 211 G HA2 0.019 3.979 3.960 0.000 0.000 0.296 211 G HA3 0.019 3.979 3.960 0.000 0.000 0.296 211 G C 0.060 175.039 174.900 0.131 0.000 1.040 211 G CA 0.116 45.250 45.100 0.056 0.000 1.004 211 G HN 0.926 nan 8.290 nan 0.000 0.509 212 A N -1.206 121.675 122.820 0.101 0.000 2.469 212 A HA 0.908 5.228 4.320 0.000 0.000 0.299 212 A C -0.261 177.388 177.584 0.108 0.000 1.098 212 A CA -0.403 51.717 52.037 0.137 0.000 0.737 212 A CB 2.146 21.200 19.000 0.089 0.000 1.312 212 A HN 1.198 nan 8.150 nan 0.000 0.414 213 V N 1.107 121.104 119.914 0.138 0.000 2.398 213 V HA 0.513 4.633 4.120 0.000 0.000 0.286 213 V C -0.043 176.086 176.094 0.059 0.000 1.026 213 V CA -0.307 62.054 62.300 0.100 0.000 0.868 213 V CB 1.260 33.163 31.823 0.132 0.000 0.982 213 V HN 0.911 nan 8.190 nan 0.000 0.443 214 E N 4.782 125.006 120.200 0.039 0.000 2.255 214 E HA 0.539 4.889 4.350 0.000 0.000 0.256 214 E C -1.578 175.029 176.600 0.011 0.000 0.887 214 E CA -0.516 55.897 56.400 0.021 0.000 0.782 214 E CB 1.320 31.032 29.700 0.019 0.000 1.214 214 E HN 0.630 nan 8.360 nan 0.000 0.417 215 L N 3.429 124.652 121.223 0.000 0.000 2.317 215 L HA 0.496 4.836 4.340 0.000 0.000 0.281 215 L C -0.100 176.760 176.870 -0.018 0.000 1.024 215 L CA -0.758 54.077 54.840 -0.008 0.000 0.810 215 L CB 1.682 43.732 42.059 -0.014 0.000 1.240 215 L HN 0.471 nan 8.230 nan 0.000 0.427 216 E N 1.340 121.525 120.200 -0.025 0.000 2.158 216 E HA 0.295 4.645 4.350 0.000 0.000 0.271 216 E C -0.378 176.184 176.600 -0.064 0.000 0.911 216 E CA -0.550 55.828 56.400 -0.036 0.000 0.767 216 E CB 1.593 31.276 29.700 -0.028 0.000 1.120 216 E HN 0.615 nan 8.360 nan 0.000 0.405 217 S N 1.848 117.500 115.700 -0.079 0.000 3.628 217 S HA -0.127 4.343 4.470 0.000 0.000 0.373 217 S C -2.167 172.315 174.600 -0.196 0.000 0.968 217 S CA 0.343 58.464 58.200 -0.132 0.000 1.215 217 S CB -1.456 61.663 63.200 -0.136 0.000 0.912 217 S HN 0.498 nan 8.310 nan 0.000 0.495 218 P HA 0.534 nan 4.420 nan 0.000 0.284 218 P C 0.001 177.219 177.300 -0.135 0.000 1.258 218 P CA -0.640 62.387 63.100 -0.121 0.000 0.824 218 P CB 0.588 32.269 31.700 -0.032 0.000 1.038 219 F N 0.885 120.834 119.950 -0.001 0.000 2.368 219 F HA 0.421 4.948 4.527 -0.000 0.000 0.315 219 F C 0.962 176.763 175.800 0.001 0.000 1.145 219 F CA -0.142 57.858 58.000 0.000 0.000 1.095 219 F CB 0.493 39.492 39.000 -0.001 0.000 1.286 219 F HN 0.077 nan 8.300 nan 0.000 0.530 220 I N 3.143 123.857 120.570 0.239 0.000 2.500 220 I HA 0.208 4.378 4.170 0.000 0.000 0.286 220 I C -1.483 174.684 176.117 0.084 0.000 1.063 220 I CA -0.823 60.552 61.300 0.125 0.000 1.062 220 I CB 1.854 39.910 38.000 0.094 0.000 1.223 220 I HN 0.213 nan 8.210 nan 0.000 0.435 221 L N 8.203 129.460 121.223 0.056 0.000 2.265 221 L HA 0.524 4.864 4.340 0.000 0.000 0.288 221 L C -1.070 175.811 176.870 0.019 0.000 1.058 221 L CA 0.064 54.918 54.840 0.024 0.000 0.809 221 L CB 0.767 42.833 42.059 0.011 0.000 1.179 221 L HN 0.454 nan 8.230 nan 0.000 0.429 222 L N 6.406 127.634 121.223 0.007 0.000 2.276 222 L HA 0.753 5.093 4.340 0.000 0.000 0.286 222 L C -0.079 176.788 176.870 -0.006 0.000 1.024 222 L CA -0.464 54.374 54.840 -0.004 0.000 0.826 222 L CB 1.267 43.317 42.059 -0.015 0.000 1.211 222 L HN 0.808 nan 8.230 nan 0.000 0.422 223 A N 1.760 124.579 122.820 -0.001 0.000 2.332 223 A HA 0.348 4.668 4.320 0.000 0.000 0.300 223 A C -0.462 177.123 177.584 0.001 0.000 1.153 223 A CA -0.536 51.501 52.037 0.000 0.000 0.764 223 A CB 0.901 19.905 19.000 0.007 0.000 1.174 223 A HN 0.699 nan 8.150 nan 0.000 0.467 224 D N 2.611 123.009 120.400 -0.004 0.000 2.801 224 D HA 0.292 4.932 4.640 0.000 0.000 0.232 224 D C 0.242 176.546 176.300 0.007 0.000 1.128 224 D CA 0.465 54.464 54.000 -0.002 0.000 1.003 224 D CB -0.555 40.240 40.800 -0.009 0.000 1.110 224 D HN 0.626 nan 8.370 nan 0.000 0.477 225 K N -1.079 119.329 120.400 0.014 0.000 2.672 225 K HA 0.372 4.692 4.320 0.000 0.000 0.295 225 K C -1.190 175.426 176.600 0.026 0.000 1.042 225 K CA -1.201 55.097 56.287 0.019 0.000 0.869 225 K CB 0.859 33.367 32.500 0.014 0.000 1.541 225 K HN -0.202 nan 8.250 nan 0.000 0.396 226 K N 1.089 121.506 120.400 0.028 0.000 2.156 226 K HA 0.446 4.766 4.320 0.000 0.000 0.271 226 K C -0.631 175.988 176.600 0.032 0.000 0.995 226 K CA -0.610 55.698 56.287 0.034 0.000 0.890 226 K CB 1.179 33.700 32.500 0.035 0.000 1.073 226 K HN 0.380 nan 8.250 nan 0.000 0.454 227 I N 2.334 122.926 120.570 0.038 0.000 2.312 227 I HA 0.065 4.235 4.170 0.000 0.000 0.290 227 I C 0.542 176.681 176.117 0.036 0.000 1.008 227 I CA -0.010 61.311 61.300 0.035 0.000 1.226 227 I CB 1.607 39.630 38.000 0.039 0.000 1.371 227 I HN 0.692 nan 8.210 nan 0.000 0.468 228 S N 3.637 119.354 115.700 0.029 0.000 2.655 228 S HA 0.072 4.542 4.470 0.000 0.000 0.231 228 S C 0.856 175.469 174.600 0.023 0.000 1.044 228 S CA 0.115 58.331 58.200 0.026 0.000 0.910 228 S CB 0.118 63.331 63.200 0.021 0.000 0.833 228 S HN 0.635 nan 8.310 nan 0.000 0.581 229 N N 2.056 120.767 118.700 0.019 0.000 2.437 229 N HA 0.217 4.957 4.740 0.000 0.000 0.243 229 N C 0.236 175.756 175.510 0.017 0.000 1.041 229 N CA -0.021 53.038 53.050 0.016 0.000 0.940 229 N CB 0.588 39.082 38.487 0.011 0.000 1.133 229 N HN 0.280 nan 8.380 nan 0.000 0.506 230 I N 3.270 123.852 120.570 0.019 0.000 3.164 230 I HA -0.167 4.003 4.170 0.000 0.000 0.278 230 I C 1.942 178.067 176.117 0.014 0.000 1.320 230 I CA 0.491 61.804 61.300 0.021 0.000 1.422 230 I CB 0.123 38.139 38.000 0.026 0.000 1.066 230 I HN 0.449 nan 8.210 nan 0.000 0.503 231 R N 0.967 121.473 120.500 0.011 0.000 2.073 231 R HA -0.191 4.149 4.340 0.000 0.000 0.234 231 R C 1.994 178.297 176.300 0.004 0.000 1.134 231 R CA 1.693 57.797 56.100 0.006 0.000 0.952 231 R CB -0.233 30.070 30.300 0.005 0.000 0.850 231 R HN 0.414 nan 8.270 nan 0.000 0.433 232 E N -0.593 119.610 120.200 0.005 0.000 2.169 232 E HA -0.280 4.070 4.350 0.000 0.000 0.202 232 E C 1.800 178.400 176.600 -0.000 0.000 1.016 232 E CA 1.465 57.866 56.400 0.003 0.000 0.817 232 E CB -0.077 29.626 29.700 0.005 0.000 0.736 232 E HN 0.295 nan 8.360 nan 0.000 0.462 233 M N 0.021 119.623 119.600 0.004 0.000 2.123 233 M HA -0.090 4.390 4.480 0.000 0.000 0.263 233 M C 2.401 178.698 176.300 -0.004 0.000 1.069 233 M CA 1.029 56.330 55.300 0.001 0.000 1.133 233 M CB -0.943 31.664 32.600 0.011 0.000 1.356 233 M HN 0.165 nan 8.290 nan 0.000 0.415 234 L N 0.421 121.644 121.223 -0.000 0.000 2.113 234 L HA -0.310 4.030 4.340 0.000 0.000 0.237 234 L C -0.232 176.632 176.870 -0.010 0.000 1.113 234 L CA 2.327 57.165 54.840 -0.003 0.000 0.837 234 L CB -2.868 39.190 42.059 -0.001 0.000 0.929 234 L HN 0.201 nan 8.230 nan 0.000 0.449 235 P HA -0.150 nan 4.420 nan 0.000 0.216 235 P C 1.771 179.050 177.300 -0.035 0.000 1.153 235 P CA 1.853 64.940 63.100 -0.022 0.000 0.858 235 P CB -0.058 31.630 31.700 -0.021 0.000 0.789 236 V N 0.150 120.041 119.914 -0.039 0.000 2.323 236 V HA -0.171 3.949 4.120 0.000 0.000 0.244 236 V C 2.913 178.972 176.094 -0.059 0.000 1.041 236 V CA 1.305 63.567 62.300 -0.063 0.000 1.025 236 V CB -1.350 30.436 31.823 -0.061 0.000 0.656 236 V HN -0.025 nan 8.190 nan 0.000 0.451 237 L N 0.090 121.295 121.223 -0.029 0.000 2.079 237 L HA -0.226 4.114 4.340 0.000 0.000 0.210 237 L C 2.674 179.539 176.870 -0.008 0.000 1.081 237 L CA 2.031 56.865 54.840 -0.010 0.000 0.752 237 L CB -0.528 41.535 42.059 0.006 0.000 0.896 237 L HN 0.452 nan 8.230 nan 0.000 0.433 238 E N 0.220 120.413 120.200 -0.012 0.000 2.077 238 E HA -0.253 4.097 4.350 0.000 0.000 0.193 238 E C 2.209 178.801 176.600 -0.014 0.000 0.989 238 E CA 1.173 57.569 56.400 -0.008 0.000 0.800 238 E CB 0.026 29.721 29.700 -0.009 0.000 0.746 238 E HN 0.478 nan 8.360 nan 0.000 0.452 239 A N 0.471 123.268 122.820 -0.038 0.000 1.902 239 A HA -0.141 4.179 4.320 0.000 0.000 0.217 239 A C 2.359 179.914 177.584 -0.050 0.000 1.181 239 A CA 1.489 53.490 52.037 -0.059 0.000 0.623 239 A CB -0.578 18.356 19.000 -0.110 0.000 0.818 239 A HN 0.229 nan 8.150 nan 0.000 0.443 240 V N -0.227 119.655 119.914 -0.054 0.000 2.667 240 V HA -0.156 3.964 4.120 0.000 0.000 0.252 240 V C 2.938 179.083 176.094 0.085 0.000 1.065 240 V CA 1.448 63.767 62.300 0.032 0.000 1.083 240 V CB -1.141 30.708 31.823 0.043 0.000 0.692 240 V HN 0.618 nan 8.190 nan 0.000 0.468 241 A N -0.018 122.828 122.820 0.043 0.000 1.865 241 A HA -0.166 4.154 4.320 0.000 0.000 0.217 241 A C 1.583 179.196 177.584 0.049 0.000 1.191 241 A CA 1.298 53.360 52.037 0.043 0.000 0.623 241 A CB -0.265 18.750 19.000 0.025 0.000 0.826 241 A HN 0.536 nan 8.150 nan 0.000 0.444 242 K N -2.775 117.650 120.400 0.042 0.000 2.136 242 K HA 0.409 4.729 4.320 0.000 0.000 0.237 242 K C 1.090 177.737 176.600 0.079 0.000 1.048 242 K CA 0.243 56.557 56.287 0.045 0.000 0.880 242 K CB 0.092 32.611 32.500 0.031 0.000 1.105 242 K HN 0.830 nan 8.250 nan 0.000 0.507 243 A N -0.020 122.849 122.820 0.081 0.000 4.287 243 A HA -0.213 4.107 4.320 0.000 0.000 0.258 243 A C 1.168 178.809 177.584 0.095 0.000 0.811 243 A CA 1.612 53.720 52.037 0.117 0.000 1.245 243 A CB -2.499 16.640 19.000 0.231 0.000 1.055 243 A HN 1.447 nan 8.150 nan 0.000 0.763 244 G N -0.606 108.244 108.800 0.083 0.000 2.393 244 G HA2 -0.231 3.729 3.960 0.000 0.000 0.299 244 G HA3 -0.231 3.729 3.960 0.000 0.000 0.299 244 G C -0.121 174.807 174.900 0.046 0.000 0.990 244 G CA 1.540 46.674 45.100 0.057 0.000 1.118 244 G HN 1.147 nan 8.290 nan 0.000 0.513 245 K N 0.464 120.914 120.400 0.082 0.000 2.318 245 K HA 0.544 4.864 4.320 0.000 0.000 0.249 245 K C -2.275 174.369 176.600 0.073 0.000 0.942 245 K CA -2.067 54.233 56.287 0.022 0.000 0.808 245 K CB 2.899 35.330 32.500 -0.115 0.000 1.189 245 K HN 0.089 nan 8.250 nan 0.000 0.428 246 P HA 0.165 nan 4.420 nan 0.000 0.274 246 P C -1.240 176.109 177.300 0.082 0.000 1.246 246 P CA -0.579 62.545 63.100 0.041 0.000 0.795 246 P CB 0.810 32.513 31.700 0.006 0.000 1.006 247 L N 2.178 123.444 121.223 0.071 0.000 2.385 247 L HA 0.542 4.882 4.340 0.000 0.000 0.273 247 L C -1.408 175.473 176.870 0.018 0.000 0.990 247 L CA -1.001 53.894 54.840 0.091 0.000 0.821 247 L CB 1.653 43.769 42.059 0.095 0.000 1.279 247 L HN 0.181 nan 8.230 nan 0.000 0.412 248 L N 6.047 127.289 121.223 0.032 0.000 2.287 248 L HA 0.608 4.948 4.340 0.000 0.000 0.287 248 L C -1.168 175.711 176.870 0.016 0.000 1.022 248 L CA -0.154 54.684 54.840 -0.003 0.000 0.814 248 L CB 1.032 43.106 42.059 0.027 0.000 1.217 248 L HN 0.452 nan 8.230 nan 0.000 0.420 249 I N 7.088 127.650 120.570 -0.014 0.000 2.304 249 I HA 0.284 4.454 4.170 0.000 0.000 0.291 249 I C -0.098 176.043 176.117 0.040 0.000 1.018 249 I CA -0.146 61.162 61.300 0.013 0.000 1.260 249 I CB 1.063 39.068 38.000 0.007 0.000 1.390 249 I HN 0.588 nan 8.210 nan 0.000 0.475 250 I N 6.234 126.834 120.570 0.050 0.000 2.460 250 I HA 0.479 4.649 4.170 0.000 0.000 0.277 250 I C 0.286 176.426 176.117 0.038 0.000 1.057 250 I CA -0.219 61.120 61.300 0.064 0.000 1.179 250 I CB 1.124 39.154 38.000 0.050 0.000 1.329 250 I HN 0.616 nan 8.210 nan 0.000 0.478 251 A N 4.085 126.936 122.820 0.051 0.000 2.387 251 A HA 0.452 4.772 4.320 0.000 0.000 0.298 251 A C 0.881 178.494 177.584 0.048 0.000 1.165 251 A CA -0.535 51.527 52.037 0.041 0.000 0.814 251 A CB 1.363 20.389 19.000 0.044 0.000 1.357 251 A HN 0.688 nan 8.150 nan 0.000 0.443 252 E N -0.744 119.481 120.200 0.041 0.000 2.265 252 E HA -0.084 4.266 4.350 0.000 0.000 0.196 252 E C -0.448 176.189 176.600 0.061 0.000 0.996 252 E CA 1.486 57.915 56.400 0.048 0.000 0.832 252 E CB 0.136 29.861 29.700 0.041 0.000 0.756 252 E HN 0.645 nan 8.360 nan 0.000 0.491 253 D N -2.359 118.078 120.400 0.062 0.000 3.020 253 D HA 0.027 4.667 4.640 0.000 0.000 0.268 253 D C -1.985 174.358 176.300 0.072 0.000 1.078 253 D CA -0.465 53.578 54.000 0.072 0.000 0.725 253 D CB 1.046 41.884 40.800 0.064 0.000 1.639 253 D HN -0.145 nan 8.370 nan 0.000 0.455 254 V N 2.765 122.732 119.914 0.088 0.000 2.349 254 V HA 0.402 4.522 4.120 0.000 0.000 0.284 254 V C 0.231 176.376 176.094 0.086 0.000 1.014 254 V CA -0.692 61.662 62.300 0.091 0.000 0.826 254 V CB 1.306 33.203 31.823 0.122 0.000 1.009 254 V HN 0.476 nan 8.190 nan 0.000 0.431 255 E N 2.609 122.848 120.200 0.065 0.000 2.392 255 E HA 0.275 4.625 4.350 0.000 0.000 0.259 255 E C 1.445 178.075 176.600 0.050 0.000 1.108 255 E CA 0.438 56.870 56.400 0.054 0.000 0.916 255 E CB 1.101 30.825 29.700 0.040 0.000 0.989 255 E HN 0.768 nan 8.360 nan 0.000 0.432 256 G N 2.135 110.959 108.800 0.041 0.000 2.853 256 G HA2 -0.454 3.506 3.960 0.000 0.000 0.234 256 G HA3 -0.454 3.506 3.960 0.000 0.000 0.234 256 G C 1.363 176.275 174.900 0.020 0.000 1.198 256 G CA 1.750 46.867 45.100 0.029 0.000 0.767 256 G HN 0.657 nan 8.290 nan 0.000 0.657 257 E N 0.713 120.923 120.200 0.016 0.000 2.058 257 E HA -0.018 4.332 4.350 0.000 0.000 0.194 257 E C 2.851 179.461 176.600 0.017 0.000 0.997 257 E CA 1.908 58.314 56.400 0.009 0.000 0.801 257 E CB -0.754 28.951 29.700 0.008 0.000 0.746 257 E HN 0.429 nan 8.360 nan 0.000 0.450 258 A N 0.243 123.082 122.820 0.030 0.000 1.908 258 A HA -0.177 4.143 4.320 0.000 0.000 0.218 258 A C 2.225 179.846 177.584 0.063 0.000 1.181 258 A CA 1.623 53.685 52.037 0.043 0.000 0.627 258 A CB -0.854 18.175 19.000 0.048 0.000 0.818 258 A HN 0.380 nan 8.150 nan 0.000 0.445 259 L N -0.340 120.926 121.223 0.072 0.000 2.046 259 L HA -0.076 4.264 4.340 0.000 0.000 0.208 259 L C 2.743 179.637 176.870 0.039 0.000 1.077 259 L CA 2.097 56.998 54.840 0.102 0.000 0.747 259 L CB -0.741 41.376 42.059 0.096 0.000 0.896 259 L HN 0.364 nan 8.230 nan 0.000 0.432 260 A N -1.617 121.200 122.820 -0.005 0.000 1.883 260 A HA -0.236 4.084 4.320 0.000 0.000 0.217 260 A C 2.273 179.832 177.584 -0.042 0.000 1.186 260 A CA 2.425 54.427 52.037 -0.058 0.000 0.624 260 A CB -1.257 17.711 19.000 -0.053 0.000 0.822 260 A HN 0.503 nan 8.150 nan 0.000 0.444 261 T N 0.652 115.204 114.554 -0.004 0.000 2.684 261 T HA -0.141 4.209 4.350 0.000 0.000 0.267 261 T C 1.828 176.547 174.700 0.032 0.000 1.036 261 T CA 1.582 63.687 62.100 0.008 0.000 1.148 261 T CB -0.475 68.405 68.868 0.019 0.000 0.863 261 T HN 0.380 nan 8.240 nan 0.000 0.436 262 L N 0.591 121.862 121.223 0.079 0.000 2.012 262 L HA -0.128 4.212 4.340 0.000 0.000 0.210 262 L C 2.717 179.683 176.870 0.159 0.000 1.073 262 L CA 1.082 56.011 54.840 0.149 0.000 0.748 262 L CB -0.890 41.323 42.059 0.257 0.000 0.891 262 L HN 0.141 nan 8.230 nan 0.000 0.431 263 V N -0.515 119.445 119.914 0.078 0.000 2.255 263 V HA -0.292 3.828 4.120 0.000 0.000 0.247 263 V C 2.456 178.521 176.094 -0.047 0.000 1.051 263 V CA 1.834 64.106 62.300 -0.046 0.000 1.018 263 V CB -0.350 31.300 31.823 -0.287 0.000 0.641 263 V HN 0.187 nan 8.190 nan 0.000 0.445 264 V N 0.383 120.253 119.914 -0.073 0.000 2.231 264 V HA -0.367 3.753 4.120 0.000 0.000 0.248 264 V C 2.097 178.181 176.094 -0.017 0.000 1.054 264 V CA 2.805 65.067 62.300 -0.063 0.000 1.015 264 V CB -1.055 30.732 31.823 -0.060 0.000 0.638 264 V HN 0.631 nan 8.190 nan 0.000 0.444 265 N N -0.065 118.640 118.700 0.008 0.000 2.166 265 N HA -0.180 4.560 4.740 0.000 0.000 0.186 265 N C 1.868 177.399 175.510 0.036 0.000 1.019 265 N CA 1.755 54.818 53.050 0.021 0.000 0.856 265 N CB -0.212 38.292 38.487 0.028 0.000 0.993 265 N HN 0.726 nan 8.380 nan 0.000 0.426 266 T N -1.417 113.174 114.554 0.062 0.000 2.995 266 T HA -0.029 4.321 4.350 0.000 0.000 0.269 266 T C 1.655 176.390 174.700 0.058 0.000 1.091 266 T CA 0.555 62.700 62.100 0.075 0.000 1.128 266 T CB -0.070 68.875 68.868 0.129 0.000 0.891 266 T HN 0.125 nan 8.240 nan 0.000 0.492 267 M N 0.237 119.861 119.600 0.039 0.000 2.562 267 M HA 0.241 4.721 4.480 0.000 0.000 0.257 267 M C 1.828 178.134 176.300 0.010 0.000 1.099 267 M CA 0.699 56.011 55.300 0.020 0.000 1.099 267 M CB 0.062 32.656 32.600 -0.011 0.000 1.427 267 M HN 0.132 nan 8.290 nan 0.000 0.489 268 R N -1.032 119.474 120.500 0.010 0.000 2.393 268 R HA 0.248 4.588 4.340 0.000 0.000 0.244 268 R C 1.174 177.481 176.300 0.011 0.000 0.920 268 R CA 0.552 56.655 56.100 0.006 0.000 1.076 268 R CB 0.421 30.721 30.300 0.001 0.000 1.119 268 R HN 0.534 nan 8.270 nan 0.000 0.524 269 G N 1.487 110.299 108.800 0.019 0.000 2.268 269 G HA2 -0.278 3.682 3.960 0.000 0.000 0.240 269 G HA3 -0.278 3.682 3.960 0.000 0.000 0.240 269 G C 0.280 175.195 174.900 0.024 0.000 1.010 269 G CA -0.322 44.790 45.100 0.020 0.000 0.618 269 G HN 0.231 nan 8.290 nan 0.000 0.516 270 I N 2.199 122.782 120.570 0.023 0.000 2.347 270 I HA 0.422 4.592 4.170 0.000 0.000 0.294 270 I C 0.775 176.911 176.117 0.033 0.000 1.090 270 I CA -0.426 60.889 61.300 0.024 0.000 1.314 270 I CB 0.747 38.758 38.000 0.019 0.000 1.423 270 I HN 0.221 nan 8.210 nan 0.000 0.503 271 V N 5.248 125.185 119.914 0.037 0.000 3.480 271 V HA -0.225 3.895 4.120 0.000 0.000 0.494 271 V C 0.117 176.242 176.094 0.052 0.000 0.682 271 V CA 0.352 62.680 62.300 0.046 0.000 2.039 271 V CB -0.992 30.857 31.823 0.043 0.000 2.474 271 V HN 0.811 nan 8.190 nan 0.000 0.505 272 K N 3.950 124.382 120.400 0.052 0.000 2.253 272 K HA 0.717 5.037 4.320 0.000 0.000 0.277 272 K C -0.373 176.249 176.600 0.036 0.000 1.053 272 K CA -0.513 55.804 56.287 0.051 0.000 0.892 272 K CB 1.833 34.357 32.500 0.041 0.000 1.102 272 K HN 0.511 nan 8.250 nan 0.000 0.469 273 V N 1.224 121.158 119.914 0.032 0.000 3.001 273 V HA 0.823 4.943 4.120 0.000 0.000 0.314 273 V C -0.865 175.072 176.094 -0.263 0.000 1.099 273 V CA -1.030 61.243 62.300 -0.045 0.000 0.989 273 V CB 1.952 33.782 31.823 0.011 0.000 1.040 273 V HN 0.854 nan 8.190 nan 0.000 0.434 274 A N 1.560 124.099 122.820 -0.469 0.000 2.540 274 A HA 0.953 5.273 4.320 0.000 0.000 0.297 274 A C -0.809 176.405 177.584 -0.616 0.000 1.056 274 A CA 0.002 51.416 52.037 -1.038 0.000 0.700 274 A CB 1.672 20.337 19.000 -0.559 0.000 1.280 274 A HN 1.739 nan 8.150 nan 0.000 0.398 275 A N 0.913 123.347 122.820 -0.642 0.000 2.401 275 A HA 0.952 5.272 4.320 0.000 0.000 0.310 275 A C -0.363 177.249 177.584 0.047 0.000 1.075 275 A CA -0.110 51.854 52.037 -0.121 0.000 0.746 275 A CB 1.533 20.554 19.000 0.035 0.000 1.277 275 A HN 2.395 nan 8.150 nan 0.000 0.425 276 V N -1.148 118.823 119.914 0.094 0.000 3.087 276 V HA 0.607 4.727 4.120 0.000 0.000 0.306 276 V C -0.655 175.533 176.094 0.158 0.000 1.187 276 V CA -1.236 61.149 62.300 0.142 0.000 0.999 276 V CB 1.453 33.358 31.823 0.138 0.000 1.049 276 V HN 0.901 nan 8.190 nan 0.000 0.431 277 K N 1.971 122.465 120.400 0.157 0.000 2.319 277 K HA 0.647 4.967 4.320 0.000 0.000 0.265 277 K C 0.479 177.176 176.600 0.161 0.000 1.000 277 K CA 0.339 56.709 56.287 0.139 0.000 0.943 277 K CB 1.080 33.653 32.500 0.121 0.000 0.950 277 K HN 1.161 nan 8.250 nan 0.000 0.485 278 A N 3.789 126.661 122.820 0.088 0.000 2.462 278 A HA 0.203 4.523 4.320 0.000 0.000 0.243 278 A C -2.017 175.583 177.584 0.027 0.000 1.076 278 A CA -1.157 50.884 52.037 0.007 0.000 0.773 278 A CB -0.368 18.619 19.000 -0.020 0.000 1.010 278 A HN 0.471 nan 8.150 nan 0.000 0.493 279 P HA 0.321 nan 4.420 nan 0.000 0.269 279 P C 0.739 178.062 177.300 0.038 0.000 1.209 279 P CA 1.437 64.546 63.100 0.014 0.000 0.776 279 P CB 0.478 32.069 31.700 -0.181 0.000 0.876 280 G N 2.072 110.946 108.800 0.123 0.000 2.749 280 G HA2 -0.101 3.859 3.960 0.000 0.000 0.242 280 G HA3 -0.101 3.859 3.960 0.000 0.000 0.242 280 G C -0.652 174.395 174.900 0.246 0.000 1.364 280 G CA 0.174 45.377 45.100 0.173 0.000 0.888 280 G HN 0.760 nan 8.290 nan 0.000 0.566 281 F N -2.617 117.349 119.950 0.027 0.000 2.726 281 F HA 0.835 5.362 4.527 0.000 0.000 0.324 281 F C 1.113 176.928 175.800 0.025 0.000 1.140 281 F CA 0.201 58.216 58.000 0.025 0.000 0.964 281 F CB 0.834 39.853 39.000 0.032 0.000 1.399 281 F HN 2.423 nan 8.300 nan 0.000 0.491 282 G N 1.100 109.874 108.800 -0.042 0.000 2.583 282 G HA2 -0.300 3.660 3.960 0.000 0.000 0.292 282 G HA3 -0.300 3.660 3.960 0.000 0.000 0.292 282 G C 0.288 175.099 174.900 -0.147 0.000 1.203 282 G CA 0.701 45.711 45.100 -0.150 0.000 0.987 282 G HN 0.858 nan 8.290 nan 0.000 0.554 283 D N 1.023 121.316 120.400 -0.178 0.000 2.183 283 D HA -0.022 4.618 4.640 0.000 0.000 0.205 283 D C 2.477 178.696 176.300 -0.134 0.000 0.962 283 D CA 1.259 55.188 54.000 -0.119 0.000 0.849 283 D CB -0.212 40.535 40.800 -0.088 0.000 0.978 283 D HN 0.694 nan 8.370 nan 0.000 0.488 284 R N 1.158 121.542 120.500 -0.194 0.000 2.377 284 R HA 0.012 4.352 4.340 0.000 0.000 0.207 284 R C 1.995 178.213 176.300 -0.137 0.000 1.075 284 R CA 0.630 56.631 56.100 -0.165 0.000 1.035 284 R CB -0.231 29.952 30.300 -0.195 0.000 0.857 284 R HN 0.065 nan 8.270 nan 0.000 0.475 285 R N 1.668 122.088 120.500 -0.132 0.000 2.066 285 R HA 0.013 4.353 4.340 0.000 0.000 0.224 285 R C 1.441 177.695 176.300 -0.076 0.000 1.122 285 R CA 1.051 57.101 56.100 -0.083 0.000 0.974 285 R CB 0.048 30.323 30.300 -0.040 0.000 0.871 285 R HN 0.188 nan 8.270 nan 0.000 0.435 286 K N 0.304 120.664 120.400 -0.066 0.000 2.152 286 K HA -0.096 4.224 4.320 0.000 0.000 0.206 286 K C 2.047 178.610 176.600 -0.063 0.000 1.048 286 K CA 1.417 57.671 56.287 -0.055 0.000 0.933 286 K CB -0.094 32.380 32.500 -0.044 0.000 0.721 286 K HN 0.221 nan 8.250 nan 0.000 0.447 287 A N 1.423 124.200 122.820 -0.071 0.000 1.855 287 A HA -0.133 4.187 4.320 0.000 0.000 0.215 287 A C 2.159 179.696 177.584 -0.079 0.000 1.191 287 A CA 1.365 53.361 52.037 -0.069 0.000 0.613 287 A CB -0.438 18.518 19.000 -0.073 0.000 0.829 287 A HN 0.146 nan 8.150 nan 0.000 0.442 288 M N -0.711 118.832 119.600 -0.095 0.000 2.159 288 M HA -0.092 4.388 4.480 0.000 0.000 0.263 288 M C 2.204 178.417 176.300 -0.144 0.000 1.063 288 M CA 1.228 56.457 55.300 -0.119 0.000 1.110 288 M CB -0.465 32.054 32.600 -0.135 0.000 1.374 288 M HN 0.415 nan 8.290 nan 0.000 0.411 289 L N 0.091 121.236 121.223 -0.131 0.000 2.079 289 L HA -0.267 4.073 4.340 0.000 0.000 0.210 289 L C 2.650 179.464 176.870 -0.094 0.000 1.081 289 L CA 1.416 56.180 54.840 -0.126 0.000 0.752 289 L CB -0.275 41.731 42.059 -0.089 0.000 0.896 289 L HN 0.339 nan 8.230 nan 0.000 0.433 290 Q N 0.071 119.827 119.800 -0.074 0.000 2.083 290 Q HA -0.203 4.137 4.340 0.000 0.000 0.198 290 Q C 1.671 177.639 176.000 -0.052 0.000 0.969 290 Q CA 1.812 57.583 55.803 -0.054 0.000 0.838 290 Q CB -0.109 28.602 28.738 -0.045 0.000 0.900 290 Q HN 0.409 nan 8.270 nan 0.000 0.436 291 D N 0.109 120.471 120.400 -0.063 0.000 2.116 291 D HA -0.186 4.454 4.640 0.000 0.000 0.193 291 D C 1.883 178.154 176.300 -0.050 0.000 0.998 291 D CA 1.603 55.571 54.000 -0.053 0.000 0.836 291 D CB -0.303 40.461 40.800 -0.060 0.000 0.951 291 D HN 0.386 nan 8.370 nan 0.000 0.449 292 I N 1.126 121.650 120.570 -0.077 0.000 2.264 292 I HA -0.278 3.892 4.170 0.000 0.000 0.248 292 I C 2.501 178.600 176.117 -0.030 0.000 1.111 292 I CA 1.035 62.297 61.300 -0.064 0.000 1.382 292 I CB -0.324 37.601 38.000 -0.125 0.000 1.060 292 I HN -0.066 nan 8.210 nan 0.000 0.418 293 A N 0.733 123.532 122.820 -0.035 0.000 1.858 293 A HA -0.209 4.111 4.320 0.000 0.000 0.216 293 A C 2.412 179.991 177.584 -0.007 0.000 1.190 293 A CA 2.563 54.591 52.037 -0.016 0.000 0.617 293 A CB -1.175 17.812 19.000 -0.021 0.000 0.827 293 A HN 0.379 nan 8.150 nan 0.000 0.443 294 T N 0.413 114.959 114.554 -0.013 0.000 2.788 294 T HA -0.101 4.249 4.350 0.000 0.000 0.268 294 T C 1.809 176.508 174.700 -0.002 0.000 1.044 294 T CA 1.225 63.320 62.100 -0.008 0.000 1.139 294 T CB -0.271 68.590 68.868 -0.013 0.000 0.867 294 T HN 0.294 nan 8.240 nan 0.000 0.454 295 L N 2.004 123.225 121.223 -0.003 0.000 2.141 295 L HA -0.038 4.302 4.340 0.000 0.000 0.209 295 L C 2.200 179.077 176.870 0.012 0.000 1.094 295 L CA 2.142 56.985 54.840 0.005 0.000 0.763 295 L CB -1.202 40.861 42.059 0.007 0.000 0.908 295 L HN 0.442 nan 8.230 nan 0.000 0.437 296 T N -4.399 110.165 114.554 0.016 0.000 3.069 296 T HA 0.281 4.631 4.350 0.000 0.000 0.252 296 T C 1.245 175.963 174.700 0.030 0.000 1.053 296 T CA 0.361 62.476 62.100 0.026 0.000 0.964 296 T CB 0.088 68.978 68.868 0.037 0.000 1.005 296 T HN 0.496 nan 8.240 nan 0.000 0.532 297 G N 0.569 109.382 108.800 0.022 0.000 2.221 297 G HA2 0.009 3.969 3.960 0.000 0.000 0.265 297 G HA3 0.009 3.969 3.960 0.000 0.000 0.265 297 G C 0.335 175.253 174.900 0.031 0.000 1.041 297 G CA -0.168 44.947 45.100 0.024 0.000 0.807 297 G HN 1.041 nan 8.290 nan 0.000 0.502 298 G N -1.691 107.125 108.800 0.026 0.000 2.601 298 G HA2 0.748 4.708 3.960 0.000 0.000 0.317 298 G HA3 0.748 4.708 3.960 0.000 0.000 0.317 298 G C -0.425 174.480 174.900 0.008 0.000 1.246 298 G CA 0.135 45.250 45.100 0.025 0.000 1.012 298 G HN 0.603 nan 8.290 nan 0.000 0.494 299 T N 0.446 115.001 114.554 0.002 0.000 2.786 299 T HA 0.412 4.762 4.350 0.000 0.000 0.283 299 T C 0.142 174.835 174.700 -0.010 0.000 0.992 299 T CA -0.265 61.831 62.100 -0.006 0.000 0.954 299 T CB 1.564 70.427 68.868 -0.008 0.000 0.934 299 T HN 0.342 nan 8.240 nan 0.000 0.440 300 V N 4.757 124.663 119.914 -0.014 0.000 2.655 300 V HA 0.210 4.330 4.120 0.000 0.000 0.300 300 V C 0.383 176.469 176.094 -0.015 0.000 1.044 300 V CA -0.089 62.201 62.300 -0.017 0.000 1.095 300 V CB 0.322 32.132 31.823 -0.023 0.000 0.952 300 V HN 0.769 nan 8.190 nan 0.000 0.485 301 I N 5.110 125.672 120.570 -0.013 0.000 2.388 301 I HA 0.293 4.463 4.170 0.000 0.000 0.281 301 I C 0.230 176.342 176.117 -0.009 0.000 1.046 301 I CA 0.071 61.364 61.300 -0.011 0.000 1.187 301 I CB 1.008 39.002 38.000 -0.011 0.000 1.351 301 I HN 0.723 nan 8.210 nan 0.000 0.472 302 S N 3.046 118.741 115.700 -0.009 0.000 2.501 302 S HA 0.415 4.885 4.470 0.000 0.000 0.301 302 S C 0.584 175.182 174.600 -0.004 0.000 1.096 302 S CA -0.839 57.358 58.200 -0.006 0.000 1.063 302 S CB 2.252 65.447 63.200 -0.009 0.000 1.042 302 S HN 0.563 nan 8.310 nan 0.000 0.494 303 E N 1.489 121.688 120.200 -0.001 0.000 2.150 303 E HA -0.149 4.201 4.350 0.000 0.000 0.193 303 E C 1.485 178.085 176.600 -0.001 0.000 0.985 303 E CA 1.115 57.514 56.400 -0.000 0.000 0.814 303 E CB -0.089 29.612 29.700 0.003 0.000 0.752 303 E HN 0.800 nan 8.360 nan 0.000 0.466 304 E N 0.948 121.148 120.200 -0.001 0.000 2.048 304 E HA -0.228 4.122 4.350 0.000 0.000 0.202 304 E C 2.033 178.631 176.600 -0.003 0.000 1.021 304 E CA 1.251 57.650 56.400 -0.002 0.000 0.825 304 E CB -0.278 29.420 29.700 -0.003 0.000 0.756 304 E HN 0.303 nan 8.360 nan 0.000 0.454 305 I N -0.016 120.551 120.570 -0.005 0.000 3.083 305 I HA -0.086 4.084 4.170 0.000 0.000 0.273 305 I C 1.347 177.461 176.117 -0.005 0.000 1.297 305 I CA 0.751 62.047 61.300 -0.006 0.000 1.452 305 I CB -0.375 37.620 38.000 -0.007 0.000 1.078 305 I HN 0.359 nan 8.210 nan 0.000 0.484 306 G N 1.078 109.876 108.800 -0.004 0.000 2.130 306 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 306 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 306 G C 0.205 175.102 174.900 -0.005 0.000 0.999 306 G CA -0.352 44.746 45.100 -0.004 0.000 0.686 306 G HN 0.244 nan 8.290 nan 0.000 0.515 307 M N 0.209 119.806 119.600 -0.006 0.000 2.255 307 M HA 0.526 5.006 4.480 0.000 0.000 0.336 307 M C 0.405 176.701 176.300 -0.006 0.000 1.135 307 M CA 0.203 55.499 55.300 -0.007 0.000 1.145 307 M CB 0.890 33.485 32.600 -0.009 0.000 1.473 307 M HN 0.243 nan 8.290 nan 0.000 0.462 308 E N 1.317 121.513 120.200 -0.008 0.000 2.256 308 E HA 0.302 4.652 4.350 0.000 0.000 0.267 308 E C 0.140 176.734 176.600 -0.010 0.000 0.892 308 E CA -0.551 55.845 56.400 -0.007 0.000 0.775 308 E CB 2.265 31.962 29.700 -0.006 0.000 1.207 308 E HN 0.635 nan 8.360 nan 0.000 0.420 309 L N 1.458 122.676 121.223 -0.008 0.000 2.093 309 L HA -0.174 4.166 4.340 0.000 0.000 0.208 309 L C 1.675 178.535 176.870 -0.015 0.000 1.085 309 L CA 1.268 56.101 54.840 -0.011 0.000 0.755 309 L CB -0.198 41.858 42.059 -0.006 0.000 0.904 309 L HN 0.567 nan 8.230 nan 0.000 0.435 310 E N 0.399 120.591 120.200 -0.012 0.000 2.160 310 E HA -0.193 4.157 4.350 0.000 0.000 0.195 310 E C 1.474 178.063 176.600 -0.018 0.000 0.991 310 E CA 1.037 57.428 56.400 -0.014 0.000 0.810 310 E CB -0.056 29.638 29.700 -0.009 0.000 0.742 310 E HN 0.345 nan 8.360 nan 0.000 0.466 311 K N 0.205 120.594 120.400 -0.018 0.000 2.469 311 K HA 0.315 4.635 4.320 0.000 0.000 0.201 311 K C -0.166 176.418 176.600 -0.026 0.000 1.028 311 K CA -0.046 56.229 56.287 -0.020 0.000 1.170 311 K CB 0.830 33.321 32.500 -0.016 0.000 0.874 311 K HN 0.001 nan 8.250 nan 0.000 0.507 312 A N 1.943 124.744 122.820 -0.032 0.000 2.289 312 A HA 0.282 4.602 4.320 0.000 0.000 0.298 312 A C 0.429 177.976 177.584 -0.061 0.000 1.208 312 A CA -0.412 51.599 52.037 -0.043 0.000 0.845 312 A CB 0.310 19.285 19.000 -0.042 0.000 1.125 312 A HN 0.240 nan 8.150 nan 0.000 0.517 313 T N 0.169 114.682 114.554 -0.069 0.000 2.948 313 T HA 0.508 4.858 4.350 0.000 0.000 0.285 313 T C 1.167 175.780 174.700 -0.144 0.000 1.019 313 T CA -0.756 61.288 62.100 -0.093 0.000 1.013 313 T CB 0.568 69.396 68.868 -0.067 0.000 1.117 313 T HN 0.356 nan 8.240 nan 0.000 0.533 314 L N -0.001 121.099 121.223 -0.205 0.000 2.129 314 L HA -0.100 4.240 4.340 0.000 0.000 0.212 314 L C 2.882 179.630 176.870 -0.203 0.000 1.087 314 L CA 1.744 56.369 54.840 -0.358 0.000 0.757 314 L CB -0.565 41.258 42.059 -0.395 0.000 0.896 314 L HN 0.875 nan 8.230 nan 0.000 0.434 315 E N -0.041 120.102 120.200 -0.096 0.000 2.338 315 E HA -0.209 4.141 4.350 0.000 0.000 0.197 315 E C 1.315 177.900 176.600 -0.024 0.000 1.007 315 E CA 0.820 57.201 56.400 -0.031 0.000 0.849 315 E CB 0.192 29.881 29.700 -0.019 0.000 0.774 315 E HN 0.477 nan 8.360 nan 0.000 0.506 316 D N -0.109 120.262 120.400 -0.048 0.000 2.289 316 D HA -0.034 4.606 4.640 0.000 0.000 0.207 316 D C 0.073 176.361 176.300 -0.020 0.000 0.966 316 D CA 0.222 54.203 54.000 -0.031 0.000 0.868 316 D CB 0.245 41.021 40.800 -0.039 0.000 0.943 316 D HN 0.123 nan 8.370 nan 0.000 0.514 317 L N 1.004 122.203 121.223 -0.040 0.000 2.426 317 L HA 0.263 4.603 4.340 0.000 0.000 0.271 317 L C 1.511 178.444 176.870 0.105 0.000 1.169 317 L CA 0.048 54.894 54.840 0.010 0.000 0.836 317 L CB 0.698 42.707 42.059 -0.083 0.000 1.112 317 L HN -0.152 nan 8.230 nan 0.000 0.465 318 G N 1.482 110.350 108.800 0.112 0.000 2.516 318 G HA2 0.463 4.423 3.960 0.000 0.000 0.276 318 G HA3 0.463 4.423 3.960 0.000 0.000 0.276 318 G C -0.864 174.134 174.900 0.162 0.000 1.390 318 G CA -0.160 45.004 45.100 0.107 0.000 1.050 318 G HN 0.575 nan 8.290 nan 0.000 0.519 319 Q N -2.474 117.381 119.800 0.091 0.000 2.503 319 Q HA 0.541 4.881 4.340 0.000 0.000 0.268 319 Q C -1.289 174.713 176.000 0.003 0.000 0.982 319 Q CA -0.514 55.313 55.803 0.039 0.000 0.907 319 Q CB 1.924 30.679 28.738 0.029 0.000 1.467 319 Q HN 1.108 nan 8.270 nan 0.000 0.394 320 A N 2.121 124.923 122.820 -0.029 0.000 2.606 320 A HA 0.471 4.791 4.320 0.000 0.000 0.293 320 A C -0.703 176.854 177.584 -0.045 0.000 1.082 320 A CA -0.627 51.397 52.037 -0.021 0.000 0.685 320 A CB 1.556 20.558 19.000 0.004 0.000 1.284 320 A HN 0.774 nan 8.150 nan 0.000 0.408 321 K N -0.461 119.918 120.400 -0.034 0.000 2.217 321 K HA 0.033 4.353 4.320 0.000 0.000 0.202 321 K C 0.675 177.254 176.600 -0.036 0.000 1.051 321 K CA 1.218 57.480 56.287 -0.041 0.000 0.952 321 K CB 0.178 32.660 32.500 -0.030 0.000 0.736 321 K HN 0.543 nan 8.250 nan 0.000 0.453 322 R N 0.132 120.618 120.500 -0.023 0.000 2.579 322 R HA 0.162 4.502 4.340 0.000 0.000 0.260 322 R C -1.921 174.374 176.300 -0.008 0.000 1.103 322 R CA -0.550 55.539 56.100 -0.018 0.000 0.942 322 R CB 1.700 31.991 30.300 -0.015 0.000 1.251 322 R HN -0.046 nan 8.270 nan 0.000 0.450 323 V N 0.846 120.756 119.914 -0.007 0.000 2.735 323 V HA 0.859 4.979 4.120 0.000 0.000 0.310 323 V C -1.293 174.796 176.094 -0.008 0.000 1.061 323 V CA -0.614 61.685 62.300 -0.003 0.000 0.913 323 V CB 2.154 33.981 31.823 0.007 0.000 1.005 323 V HN 0.436 nan 8.190 nan 0.000 0.428 324 V N 5.759 125.662 119.914 -0.019 0.000 2.483 324 V HA 0.548 4.668 4.120 0.000 0.000 0.297 324 V C -0.282 175.793 176.094 -0.033 0.000 1.027 324 V CA -0.280 62.012 62.300 -0.013 0.000 0.855 324 V CB 1.544 33.360 31.823 -0.011 0.000 0.995 324 V HN 0.858 nan 8.190 nan 0.000 0.424 325 I N 4.486 125.060 120.570 0.006 0.000 2.377 325 I HA 0.496 4.666 4.170 0.000 0.000 0.293 325 I C 0.113 176.264 176.117 0.057 0.000 0.987 325 I CA -0.395 60.909 61.300 0.006 0.000 1.185 325 I CB 1.682 39.728 38.000 0.076 0.000 1.341 325 I HN 0.511 nan 8.210 nan 0.000 0.455 326 N N 3.875 122.529 118.700 -0.077 0.000 2.604 326 N HA 0.224 4.964 4.740 0.000 0.000 0.297 326 N C 0.785 175.997 175.510 -0.498 0.000 1.266 326 N CA -0.521 52.456 53.050 -0.122 0.000 0.961 326 N CB 1.358 39.770 38.487 -0.125 0.000 1.166 326 N HN 0.545 nan 8.380 nan 0.000 0.601 327 K N -0.096 120.053 120.400 -0.419 0.000 2.280 327 K HA -0.136 4.184 4.320 0.000 0.000 0.202 327 K C -0.614 175.650 176.600 -0.560 0.000 1.047 327 K CA 1.806 57.707 56.287 -0.644 0.000 0.942 327 K CB 0.020 32.411 32.500 -0.181 0.000 0.739 327 K HN 0.618 nan 8.250 nan 0.000 0.457 328 D N -1.488 118.699 120.400 -0.355 0.000 2.969 328 D HA 0.103 4.743 4.640 0.000 0.000 0.317 328 D C -0.831 175.356 176.300 -0.188 0.000 1.650 328 D CA -0.502 53.355 54.000 -0.238 0.000 0.789 328 D CB 0.501 41.212 40.800 -0.148 0.000 1.277 328 D HN -0.113 nan 8.370 nan 0.000 0.463 329 T N -0.453 113.964 114.554 -0.229 0.000 2.982 329 T HA 0.636 4.986 4.350 0.000 0.000 0.321 329 T C -1.484 173.027 174.700 -0.314 0.000 1.229 329 T CA -0.329 61.630 62.100 -0.236 0.000 1.044 329 T CB 2.007 70.784 68.868 -0.152 0.000 1.184 329 T HN -0.026 nan 8.240 nan 0.000 0.477 330 T N 2.068 116.305 114.554 -0.529 0.000 2.879 330 T HA 0.634 4.984 4.350 0.000 0.000 0.290 330 T C -0.837 173.545 174.700 -0.530 0.000 0.993 330 T CA -0.559 61.176 62.100 -0.608 0.000 0.975 330 T CB 1.627 69.887 68.868 -1.014 0.000 0.981 330 T HN 0.602 nan 8.240 nan 0.000 0.439 331 T N 3.639 118.053 114.554 -0.232 0.000 2.881 331 T HA 0.625 4.975 4.350 0.000 0.000 0.291 331 T C -0.653 174.037 174.700 -0.016 0.000 0.990 331 T CA -0.659 61.385 62.100 -0.093 0.000 0.976 331 T CB 0.142 68.972 68.868 -0.063 0.000 0.970 331 T HN 0.497 nan 8.240 nan 0.000 0.438 332 I N 6.350 126.950 120.570 0.050 0.000 2.312 332 I HA 0.405 4.575 4.170 0.000 0.000 0.291 332 I C -0.129 176.010 176.117 0.037 0.000 1.031 332 I CA -0.689 60.648 61.300 0.062 0.000 1.293 332 I CB 1.060 39.129 38.000 0.114 0.000 1.403 332 I HN 0.560 nan 8.210 nan 0.000 0.484 333 I N 6.091 126.672 120.570 0.018 0.000 2.330 333 I HA 0.250 4.420 4.170 0.000 0.000 0.289 333 I C -0.396 175.723 176.117 0.003 0.000 1.001 333 I CA -0.381 60.924 61.300 0.008 0.000 1.193 333 I CB 1.051 39.050 38.000 -0.002 0.000 1.345 333 I HN 0.564 nan 8.210 nan 0.000 0.461 334 D N 5.068 125.470 120.400 0.004 0.000 3.241 334 D HA -0.107 4.533 4.640 0.000 0.000 0.248 334 D C 0.179 176.480 176.300 0.001 0.000 1.093 334 D CA 0.788 54.788 54.000 -0.000 0.000 0.940 334 D CB -0.266 40.529 40.800 -0.007 0.000 0.980 334 D HN 0.835 nan 8.370 nan 0.000 0.421 335 G N 0.281 109.086 108.800 0.008 0.000 2.432 335 G HA2 0.373 4.333 3.960 0.000 0.000 0.257 335 G HA3 0.373 4.333 3.960 0.000 0.000 0.257 335 G C 1.451 176.355 174.900 0.006 0.000 1.238 335 G CA -0.278 44.829 45.100 0.011 0.000 0.838 335 G HN 0.275 nan 8.290 nan 0.000 0.547 336 V N 2.526 122.444 119.914 0.008 0.000 2.809 336 V HA 0.023 4.143 4.120 0.000 0.000 0.256 336 V C 2.248 178.348 176.094 0.010 0.000 1.080 336 V CA 0.960 63.264 62.300 0.007 0.000 1.102 336 V CB -1.168 30.662 31.823 0.011 0.000 0.705 336 V HN 0.883 nan 8.190 nan 0.000 0.475 337 G N 1.394 110.202 108.800 0.013 0.000 2.238 337 G HA2 -0.059 3.901 3.960 0.000 0.000 0.234 337 G HA3 -0.059 3.901 3.960 0.000 0.000 0.234 337 G C 0.011 174.915 174.900 0.007 0.000 1.181 337 G CA -0.117 44.989 45.100 0.010 0.000 0.871 337 G HN 0.320 nan 8.290 nan 0.000 0.490 338 E N 1.634 121.837 120.200 0.006 0.000 2.384 338 E HA 0.005 4.355 4.350 0.000 0.000 0.266 338 E C 1.428 178.029 176.600 0.002 0.000 1.012 338 E CA -0.203 56.199 56.400 0.004 0.000 0.901 338 E CB 0.918 30.620 29.700 0.004 0.000 0.967 338 E HN 0.626 nan 8.360 nan 0.000 0.435 339 E N 1.970 122.170 120.200 0.001 0.000 2.209 339 E HA -0.214 4.136 4.350 0.000 0.000 0.196 339 E C 1.591 178.191 176.600 -0.001 0.000 0.993 339 E CA 1.167 57.566 56.400 -0.000 0.000 0.819 339 E CB 0.108 29.808 29.700 -0.000 0.000 0.745 339 E HN 0.548 nan 8.360 nan 0.000 0.477 340 A N 1.500 124.320 122.820 -0.001 0.000 1.877 340 A HA -0.101 4.219 4.320 0.000 0.000 0.216 340 A C 2.419 180.002 177.584 -0.003 0.000 1.186 340 A CA 1.925 53.961 52.037 -0.002 0.000 0.620 340 A CB -0.529 18.470 19.000 -0.001 0.000 0.822 340 A HN 0.286 nan 8.150 nan 0.000 0.443 341 A N -0.248 122.570 122.820 -0.002 0.000 1.898 341 A HA -0.007 4.313 4.320 0.000 0.000 0.216 341 A C 2.147 179.728 177.584 -0.005 0.000 1.181 341 A CA 1.398 53.433 52.037 -0.003 0.000 0.620 341 A CB -0.565 18.434 19.000 -0.002 0.000 0.819 341 A HN 0.486 nan 8.150 nan 0.000 0.442 342 I N -0.973 119.595 120.570 -0.003 0.000 2.113 342 I HA -0.268 3.902 4.170 0.000 0.000 0.238 342 I C 2.784 178.898 176.117 -0.006 0.000 1.070 342 I CA 1.795 63.092 61.300 -0.004 0.000 1.332 342 I CB -0.363 37.636 38.000 -0.002 0.000 1.044 342 I HN 0.326 nan 8.210 nan 0.000 0.402 343 Q N 1.265 121.062 119.800 -0.005 0.000 2.135 343 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 343 Q C 2.042 178.038 176.000 -0.007 0.000 0.981 343 Q CA 2.056 57.856 55.803 -0.005 0.000 0.856 343 Q CB -0.793 27.943 28.738 -0.004 0.000 0.902 343 Q HN 0.519 nan 8.270 nan 0.000 0.425 344 G N -0.279 108.517 108.800 -0.006 0.000 2.408 344 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 344 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 344 G C 1.557 176.452 174.900 -0.010 0.000 1.150 344 G CA 0.802 45.898 45.100 -0.007 0.000 0.776 344 G HN 0.347 nan 8.290 nan 0.000 0.542 345 R N 0.396 120.889 120.500 -0.011 0.000 2.091 345 R HA -0.033 4.307 4.340 0.000 0.000 0.238 345 R C 2.535 178.825 176.300 -0.015 0.000 1.136 345 R CA 1.604 57.696 56.100 -0.014 0.000 0.959 345 R CB -0.912 29.380 30.300 -0.015 0.000 0.856 345 R HN 0.199 nan 8.270 nan 0.000 0.437 346 V N 0.933 120.839 119.914 -0.013 0.000 2.332 346 V HA -0.236 3.884 4.120 0.000 0.000 0.248 346 V C 2.393 178.479 176.094 -0.014 0.000 1.055 346 V CA 1.929 64.221 62.300 -0.014 0.000 1.038 346 V CB -1.044 30.773 31.823 -0.010 0.000 0.651 346 V HN 0.565 nan 8.190 nan 0.000 0.450 347 A N -0.604 122.209 122.820 -0.012 0.000 1.883 347 A HA -0.309 4.011 4.320 0.000 0.000 0.217 347 A C 2.189 179.765 177.584 -0.013 0.000 1.186 347 A CA 2.074 54.105 52.037 -0.011 0.000 0.624 347 A CB -0.528 18.467 19.000 -0.009 0.000 0.822 347 A HN 0.632 nan 8.150 nan 0.000 0.444 348 Q N -0.535 119.256 119.800 -0.014 0.000 2.096 348 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 348 Q C 2.031 178.020 176.000 -0.019 0.000 0.982 348 Q CA 1.679 57.473 55.803 -0.016 0.000 0.850 348 Q CB -0.384 28.344 28.738 -0.017 0.000 0.901 348 Q HN 0.772 nan 8.270 nan 0.000 0.422 349 I N 0.046 120.603 120.570 -0.021 0.000 2.439 349 I HA -0.214 3.956 4.170 0.000 0.000 0.251 349 I C 2.250 178.353 176.117 -0.024 0.000 1.139 349 I CA 0.889 62.173 61.300 -0.026 0.000 1.438 349 I CB -0.209 37.773 38.000 -0.029 0.000 1.085 349 I HN 0.104 nan 8.210 nan 0.000 0.427 350 R N 0.383 120.872 120.500 -0.019 0.000 2.189 350 R HA -0.108 4.232 4.340 0.000 0.000 0.223 350 R C 2.230 178.520 176.300 -0.015 0.000 1.092 350 R CA 0.923 57.013 56.100 -0.017 0.000 0.989 350 R CB -0.035 30.257 30.300 -0.014 0.000 0.876 350 R HN 0.475 nan 8.270 nan 0.000 0.457 351 Q N -0.351 119.440 119.800 -0.015 0.000 2.212 351 Q HA -0.080 4.260 4.340 0.000 0.000 0.199 351 Q C 1.932 177.924 176.000 -0.014 0.000 0.950 351 Q CA 0.664 56.459 55.803 -0.013 0.000 0.863 351 Q CB 0.294 29.025 28.738 -0.011 0.000 0.944 351 Q HN 0.335 nan 8.270 nan 0.000 0.465 352 Q N 0.591 120.380 119.800 -0.018 0.000 2.096 352 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 352 Q C 2.098 178.085 176.000 -0.021 0.000 0.982 352 Q CA 1.184 56.974 55.803 -0.021 0.000 0.850 352 Q CB -0.265 28.456 28.738 -0.028 0.000 0.901 352 Q HN 0.483 nan 8.270 nan 0.000 0.422 353 I N 1.098 121.654 120.570 -0.023 0.000 2.454 353 I HA -0.235 3.935 4.170 0.000 0.000 0.254 353 I C 2.145 178.253 176.117 -0.014 0.000 1.156 353 I CA 0.877 62.164 61.300 -0.022 0.000 1.433 353 I CB -0.247 37.740 38.000 -0.022 0.000 1.082 353 I HN 0.144 nan 8.210 nan 0.000 0.432 354 E N 1.238 121.431 120.200 -0.012 0.000 2.016 354 E HA -0.166 4.184 4.350 0.000 0.000 0.190 354 E C 1.797 178.393 176.600 -0.006 0.000 0.985 354 E CA 1.101 57.496 56.400 -0.008 0.000 0.802 354 E CB -0.398 29.298 29.700 -0.007 0.000 0.762 354 E HN 0.566 nan 8.360 nan 0.000 0.448 355 E N 1.238 121.434 120.200 -0.007 0.000 2.515 355 E HA 0.075 4.425 4.350 0.000 0.000 0.201 355 E C 0.260 176.857 176.600 -0.004 0.000 1.071 355 E CA 0.041 56.438 56.400 -0.005 0.000 0.880 355 E CB -0.017 29.679 29.700 -0.007 0.000 0.828 355 E HN 0.086 nan 8.360 nan 0.000 0.540 356 A N 1.771 124.588 122.820 -0.005 0.000 2.522 356 A HA 0.063 4.383 4.320 0.000 0.000 0.256 356 A C 1.036 178.623 177.584 0.005 0.000 1.086 356 A CA 0.104 52.139 52.037 -0.003 0.000 0.763 356 A CB -0.101 18.894 19.000 -0.008 0.000 1.024 356 A HN 0.197 nan 8.150 nan 0.000 0.502 357 T N -0.375 114.185 114.554 0.011 0.000 3.258 357 T HA 0.492 4.842 4.350 0.000 0.000 0.263 357 T C 0.165 174.880 174.700 0.026 0.000 0.983 357 T CA 0.236 62.345 62.100 0.015 0.000 0.907 357 T CB -0.550 68.326 68.868 0.014 0.000 1.096 357 T HN 1.065 nan 8.240 nan 0.000 0.556 358 S N -0.866 114.853 115.700 0.031 0.000 2.567 358 S HA 0.341 4.811 4.470 0.000 0.000 0.270 358 S C -0.635 173.997 174.600 0.053 0.000 1.152 358 S CA -0.614 57.617 58.200 0.052 0.000 0.835 358 S CB 1.347 64.596 63.200 0.081 0.000 1.115 358 S HN 0.076 nan 8.310 nan 0.000 0.459 359 D N 0.970 121.413 120.400 0.071 0.000 2.162 359 D HA 0.001 4.641 4.640 0.000 0.000 0.205 359 D C 1.371 177.723 176.300 0.086 0.000 0.964 359 D CA 1.132 55.170 54.000 0.064 0.000 0.847 359 D CB -0.243 40.596 40.800 0.065 0.000 0.988 359 D HN 0.606 nan 8.370 nan 0.000 0.480 360 Y N 2.509 122.812 120.300 0.004 0.000 2.089 360 Y HA -0.225 4.325 4.550 0.000 0.000 0.282 360 Y C 1.506 177.405 175.900 -0.001 0.000 1.139 360 Y CA 1.971 60.074 58.100 0.005 0.000 1.123 360 Y CB -0.441 38.024 38.460 0.008 0.000 0.980 360 Y HN -0.167 nan 8.280 nan 0.000 0.493 361 D N -0.385 120.017 120.400 0.003 0.000 2.228 361 D HA -0.190 4.450 4.640 0.000 0.000 0.203 361 D C 2.194 178.417 176.300 -0.129 0.000 0.988 361 D CA 1.533 55.472 54.000 -0.102 0.000 0.864 361 D CB -0.260 40.550 40.800 0.016 0.000 0.928 361 D HN 0.337 nan 8.370 nan 0.000 0.469 362 R N 0.413 120.867 120.500 -0.076 0.000 2.062 362 R HA -0.090 4.250 4.340 0.000 0.000 0.229 362 R C 1.650 177.896 176.300 -0.089 0.000 1.128 362 R CA 0.920 56.983 56.100 -0.061 0.000 0.960 362 R CB 0.180 30.466 30.300 -0.023 0.000 0.855 362 R HN 0.039 nan 8.270 nan 0.000 0.432 363 E N 0.816 120.949 120.200 -0.112 0.000 2.110 363 E HA -0.170 4.180 4.350 0.000 0.000 0.193 363 E C 1.810 178.314 176.600 -0.160 0.000 0.988 363 E CA 0.959 57.292 56.400 -0.111 0.000 0.804 363 E CB -0.041 29.607 29.700 -0.088 0.000 0.745 363 E HN 0.190 nan 8.360 nan 0.000 0.458 364 K N 0.652 120.885 120.400 -0.278 0.000 2.097 364 K HA -0.011 4.309 4.320 0.000 0.000 0.205 364 K C 2.381 178.887 176.600 -0.157 0.000 1.050 364 K CA 0.507 56.634 56.287 -0.266 0.000 0.938 364 K CB -0.417 31.835 32.500 -0.413 0.000 0.718 364 K HN 0.197 nan 8.250 nan 0.000 0.442 365 L N 0.937 122.080 121.223 -0.133 0.000 2.072 365 L HA -0.168 4.172 4.340 0.000 0.000 0.205 365 L C 2.564 179.395 176.870 -0.064 0.000 1.079 365 L CA 1.125 55.912 54.840 -0.087 0.000 0.752 365 L CB -0.359 41.657 42.059 -0.072 0.000 0.906 365 L HN 0.210 nan 8.230 nan 0.000 0.436 366 Q N -0.120 119.643 119.800 -0.062 0.000 2.084 366 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 366 Q C 2.087 178.065 176.000 -0.037 0.000 0.978 366 Q CA 1.451 57.229 55.803 -0.042 0.000 0.844 366 Q CB -0.118 28.598 28.738 -0.036 0.000 0.898 366 Q HN 0.525 nan 8.270 nan 0.000 0.426 367 E N 0.500 120.672 120.200 -0.046 0.000 2.085 367 E HA -0.200 4.150 4.350 0.000 0.000 0.194 367 E C 2.101 178.686 176.600 -0.025 0.000 0.994 367 E CA 0.858 57.239 56.400 -0.032 0.000 0.801 367 E CB -0.012 29.664 29.700 -0.040 0.000 0.743 367 E HN 0.268 nan 8.360 nan 0.000 0.453 368 R N 0.339 120.816 120.500 -0.038 0.000 2.066 368 R HA -0.122 4.218 4.340 0.000 0.000 0.232 368 R C 2.734 179.020 176.300 -0.024 0.000 1.131 368 R CA 1.613 57.693 56.100 -0.034 0.000 0.955 368 R CB -0.651 29.620 30.300 -0.048 0.000 0.851 368 R HN 0.219 nan 8.270 nan 0.000 0.432 369 V N -1.312 118.587 119.914 -0.025 0.000 2.343 369 V HA -0.100 4.020 4.120 0.000 0.000 0.247 369 V C 2.377 178.464 176.094 -0.010 0.000 1.051 369 V CA 1.724 64.013 62.300 -0.018 0.000 1.036 369 V CB -1.084 30.727 31.823 -0.019 0.000 0.654 369 V HN 0.237 nan 8.190 nan 0.000 0.451 370 A N 0.605 123.420 122.820 -0.009 0.000 1.917 370 A HA -0.238 4.082 4.320 0.000 0.000 0.219 370 A C 2.342 179.929 177.584 0.004 0.000 1.182 370 A CA 2.458 54.493 52.037 -0.003 0.000 0.633 370 A CB -0.612 18.387 19.000 -0.002 0.000 0.819 370 A HN 0.646 nan 8.150 nan 0.000 0.448 371 K N -1.251 119.153 120.400 0.007 0.000 2.001 371 K HA -0.047 4.273 4.320 0.000 0.000 0.208 371 K C 1.937 178.545 176.600 0.014 0.000 1.048 371 K CA 1.257 57.555 56.287 0.018 0.000 0.932 371 K CB -0.343 32.173 32.500 0.026 0.000 0.715 371 K HN 0.324 nan 8.250 nan 0.000 0.437 372 L N 0.851 122.077 121.223 0.004 0.000 2.017 372 L HA -0.120 4.220 4.340 0.000 0.000 0.208 372 L C 2.140 179.011 176.870 0.001 0.000 1.073 372 L CA 1.853 56.694 54.840 0.001 0.000 0.745 372 L CB -0.716 41.338 42.059 -0.008 0.000 0.894 372 L HN 0.163 nan 8.230 nan 0.000 0.432 373 A N -1.371 121.449 122.820 -0.001 0.000 1.935 373 A HA 0.102 4.422 4.320 0.000 0.000 0.214 373 A C 2.296 179.881 177.584 0.001 0.000 1.178 373 A CA 0.993 53.030 52.037 -0.001 0.000 0.640 373 A CB -1.219 17.779 19.000 -0.004 0.000 0.825 373 A HN 0.453 nan 8.150 nan 0.000 0.447 374 G N -0.758 108.044 108.800 0.003 0.000 2.432 374 G HA2 0.309 4.269 3.960 0.000 0.000 0.219 374 G HA3 0.309 4.269 3.960 0.000 0.000 0.219 374 G C 1.238 176.141 174.900 0.005 0.000 1.135 374 G CA 0.915 46.017 45.100 0.004 0.000 0.767 374 G HN 1.671 nan 8.290 nan 0.000 0.550 375 G N -1.723 107.082 108.800 0.008 0.000 2.593 375 G HA2 -0.009 3.951 3.960 0.000 0.000 0.237 375 G HA3 -0.009 3.951 3.960 0.000 0.000 0.237 375 G C -0.612 174.294 174.900 0.009 0.000 1.312 375 G CA -0.145 44.960 45.100 0.008 0.000 0.896 375 G HN 1.113 nan 8.290 nan 0.000 0.574 376 V N 0.161 120.078 119.914 0.005 0.000 2.733 376 V HA 0.704 4.824 4.120 0.000 0.000 0.306 376 V C 0.569 176.661 176.094 -0.003 0.000 1.084 376 V CA -0.066 62.235 62.300 0.002 0.000 0.905 376 V CB 1.467 33.293 31.823 0.005 0.000 1.010 376 V HN 2.172 nan 8.190 nan 0.000 0.424 377 A N 4.456 127.272 122.820 -0.007 0.000 2.320 377 A HA 0.727 5.047 4.320 0.000 0.000 0.287 377 A C -0.460 177.115 177.584 -0.015 0.000 1.181 377 A CA -0.281 51.750 52.037 -0.011 0.000 0.831 377 A CB 0.640 19.632 19.000 -0.013 0.000 1.102 377 A HN 0.794 nan 8.150 nan 0.000 0.513 378 V N 5.170 125.076 119.914 -0.014 0.000 2.334 378 V HA 0.276 4.396 4.120 0.000 0.000 0.281 378 V C -0.111 175.973 176.094 -0.016 0.000 1.016 378 V CA -0.146 62.145 62.300 -0.015 0.000 0.832 378 V CB 0.965 32.780 31.823 -0.012 0.000 0.999 378 V HN 0.742 nan 8.190 nan 0.000 0.439 379 I N 5.184 125.742 120.570 -0.020 0.000 2.325 379 I HA 0.364 4.534 4.170 0.000 0.000 0.291 379 I C 0.294 176.400 176.117 -0.018 0.000 1.019 379 I CA -0.351 60.937 61.300 -0.020 0.000 1.302 379 I CB 1.000 38.985 38.000 -0.026 0.000 1.401 379 I HN 0.484 nan 8.210 nan 0.000 0.485 380 K N 6.160 126.552 120.400 -0.014 0.000 2.347 380 K HA 0.377 4.697 4.320 0.000 0.000 0.262 380 K C -0.658 175.935 176.600 -0.011 0.000 1.052 380 K CA -0.640 55.640 56.287 -0.012 0.000 0.946 380 K CB 1.680 34.173 32.500 -0.011 0.000 1.220 380 K HN 0.338 nan 8.250 nan 0.000 0.450 381 V N 3.018 122.925 119.914 -0.012 0.000 2.617 381 V HA -0.070 4.050 4.120 0.000 0.000 0.304 381 V C 1.515 177.604 176.094 -0.008 0.000 1.040 381 V CA 0.367 62.660 62.300 -0.010 0.000 1.149 381 V CB 0.518 32.335 31.823 -0.010 0.000 0.914 381 V HN 0.952 nan 8.190 nan 0.000 0.487 382 G N 3.039 111.834 108.800 -0.008 0.000 2.413 382 G HA2 0.429 4.389 3.960 0.000 0.000 0.300 382 G HA3 0.429 4.389 3.960 0.000 0.000 0.300 382 G C 0.308 175.205 174.900 -0.005 0.000 1.370 382 G CA 0.537 45.633 45.100 -0.006 0.000 1.110 382 G HN 1.273 nan 8.290 nan 0.000 0.596 383 A N -3.004 119.813 122.820 -0.005 0.000 3.117 383 A HA 0.845 5.165 4.320 0.000 0.000 0.158 383 A C 0.420 178.002 177.584 -0.003 0.000 1.138 383 A CA 0.973 53.007 52.037 -0.004 0.000 2.059 383 A CB -0.436 18.562 19.000 -0.004 0.000 2.607 383 A HN 2.623 nan 8.150 nan 0.000 1.059 384 A N -0.473 122.345 122.820 -0.003 0.000 2.419 384 A HA 0.548 4.868 4.320 0.000 0.000 0.262 384 A C 1.034 178.617 177.584 -0.002 0.000 1.352 384 A CA 1.297 53.332 52.037 -0.003 0.000 0.709 384 A CB -2.624 16.374 19.000 -0.003 0.000 1.150 384 A HN 3.517 nan 8.150 nan 0.000 0.329 385 T N -1.629 112.923 114.554 -0.002 0.000 0.552 385 T HA -0.082 4.268 4.350 0.000 0.000 0.773 385 T C 0.312 175.011 174.700 -0.002 0.000 0.992 385 T CA 1.478 63.577 62.100 -0.002 0.000 4.070 385 T CB -1.214 67.654 68.868 -0.001 0.000 2.299 385 T HN 1.983 nan 8.240 nan 0.000 0.397 386 E N 1.466 121.665 120.200 -0.001 0.000 2.219 386 E HA -0.134 4.216 4.350 0.000 0.000 0.198 386 E C 1.976 178.576 176.600 -0.000 0.000 0.998 386 E CA 2.077 58.476 56.400 -0.001 0.000 0.818 386 E CB -0.097 29.603 29.700 -0.001 0.000 0.741 386 E HN 0.676 nan 8.360 nan 0.000 0.477 387 V N 1.017 120.931 119.914 -0.000 0.000 2.283 387 V HA -0.224 3.896 4.120 0.000 0.000 0.243 387 V C 2.105 178.199 176.094 0.000 0.000 1.039 387 V CA 2.097 64.398 62.300 0.000 0.000 1.016 387 V CB -0.621 31.202 31.823 0.001 0.000 0.650 387 V HN 0.256 nan 8.190 nan 0.000 0.449 388 E N -0.185 120.014 120.200 -0.001 0.000 2.118 388 E HA -0.254 4.096 4.350 0.000 0.000 0.195 388 E C 2.199 178.798 176.600 -0.001 0.000 0.992 388 E CA 1.478 57.877 56.400 -0.001 0.000 0.804 388 E CB -0.263 29.436 29.700 -0.002 0.000 0.741 388 E HN 0.418 nan 8.360 nan 0.000 0.458 389 M N 1.086 120.685 119.600 -0.002 0.000 2.108 389 M HA -0.179 4.301 4.480 0.000 0.000 0.261 389 M C 1.671 177.970 176.300 -0.002 0.000 1.066 389 M CA 1.570 56.869 55.300 -0.002 0.000 1.107 389 M CB -0.148 32.450 32.600 -0.003 0.000 1.356 389 M HN -0.104 nan 8.290 nan 0.000 0.406 390 K N 0.098 120.498 120.400 -0.000 0.000 2.155 390 K HA -0.128 4.192 4.320 0.000 0.000 0.203 390 K C 1.873 178.474 176.600 0.002 0.000 1.052 390 K CA 0.998 57.285 56.287 0.001 0.000 0.948 390 K CB -0.555 31.946 32.500 0.002 0.000 0.728 390 K HN 0.508 nan 8.250 nan 0.000 0.448 391 E N 1.792 121.992 120.200 0.001 0.000 2.107 391 E HA -0.174 4.176 4.350 0.000 0.000 0.191 391 E C 1.916 178.517 176.600 0.001 0.000 0.982 391 E CA 1.094 57.495 56.400 0.002 0.000 0.809 391 E CB 0.140 29.840 29.700 0.001 0.000 0.756 391 E HN 0.200 nan 8.360 nan 0.000 0.459 392 K N 1.032 121.432 120.400 -0.001 0.000 2.057 392 K HA -0.143 4.177 4.320 0.000 0.000 0.206 392 K C 2.366 178.964 176.600 -0.003 0.000 1.050 392 K CA 1.288 57.573 56.287 -0.002 0.000 0.935 392 K CB -0.095 32.403 32.500 -0.004 0.000 0.715 392 K HN -0.073 nan 8.250 nan 0.000 0.439 393 K N 0.213 120.612 120.400 -0.003 0.000 2.152 393 K HA -0.168 4.152 4.320 0.000 0.000 0.206 393 K C 1.844 178.443 176.600 -0.001 0.000 1.048 393 K CA 1.290 57.575 56.287 -0.004 0.000 0.933 393 K CB -0.137 32.362 32.500 -0.003 0.000 0.721 393 K HN 0.251 nan 8.250 nan 0.000 0.447 394 A N 1.395 124.218 122.820 0.005 0.000 1.855 394 A HA -0.119 4.201 4.320 0.000 0.000 0.215 394 A C 2.058 179.650 177.584 0.013 0.000 1.191 394 A CA 1.236 53.281 52.037 0.013 0.000 0.613 394 A CB -0.427 18.581 19.000 0.013 0.000 0.829 394 A HN 0.313 nan 8.150 nan 0.000 0.442 395 R N -0.528 119.977 120.500 0.007 0.000 2.105 395 R HA -0.106 4.234 4.340 0.000 0.000 0.239 395 R C 2.008 178.308 176.300 0.001 0.000 1.135 395 R CA 1.488 57.591 56.100 0.006 0.000 0.967 395 R CB -0.612 29.689 30.300 0.002 0.000 0.861 395 R HN 0.405 nan 8.270 nan 0.000 0.442 396 V N 0.962 120.871 119.914 -0.008 0.000 2.307 396 V HA -0.232 3.888 4.120 0.000 0.000 0.245 396 V C 2.072 178.142 176.094 -0.040 0.000 1.045 396 V CA 1.816 64.103 62.300 -0.022 0.000 1.024 396 V CB -0.434 31.374 31.823 -0.025 0.000 0.651 396 V HN 0.322 nan 8.190 nan 0.000 0.449 397 E N -0.156 120.023 120.200 -0.034 0.000 2.085 397 E HA -0.238 4.112 4.350 0.000 0.000 0.194 397 E C 2.003 178.583 176.600 -0.033 0.000 0.994 397 E CA 1.587 57.949 56.400 -0.063 0.000 0.801 397 E CB -0.088 29.611 29.700 -0.001 0.000 0.743 397 E HN 0.615 nan 8.360 nan 0.000 0.453 398 D N -0.151 120.283 120.400 0.055 0.000 2.084 398 D HA -0.126 4.514 4.640 0.000 0.000 0.196 398 D C 1.932 178.271 176.300 0.066 0.000 0.985 398 D CA 1.243 55.313 54.000 0.117 0.000 0.826 398 D CB -0.329 40.516 40.800 0.076 0.000 0.978 398 D HN 0.179 nan 8.370 nan 0.000 0.456 399 A N 1.106 123.937 122.820 0.019 0.000 1.958 399 A HA -0.205 4.115 4.320 0.000 0.000 0.221 399 A C 2.182 179.759 177.584 -0.012 0.000 1.178 399 A CA 1.199 53.240 52.037 0.006 0.000 0.642 399 A CB -0.742 18.255 19.000 -0.006 0.000 0.816 399 A HN 0.223 nan 8.150 nan 0.000 0.453 400 L N -0.771 120.414 121.223 -0.063 0.000 1.994 400 L HA -0.169 4.171 4.340 0.000 0.000 0.208 400 L C 2.428 179.242 176.870 -0.095 0.000 1.071 400 L CA 2.277 57.047 54.840 -0.117 0.000 0.745 400 L CB -0.826 41.102 42.059 -0.217 0.000 0.892 400 L HN 0.528 nan 8.230 nan 0.000 0.431 401 H N -0.514 118.555 119.070 -0.003 0.000 2.387 401 H HA -0.065 4.491 4.556 0.000 0.000 0.299 401 H C 2.108 177.437 175.328 0.001 0.000 1.099 401 H CA 1.442 57.489 56.048 -0.002 0.000 1.315 401 H CB -0.451 29.309 29.762 -0.003 0.000 1.380 401 H HN 0.508 nan 8.280 nan 0.000 0.513 402 A N 0.478 123.373 122.820 0.125 0.000 1.873 402 A HA -0.146 4.174 4.320 0.000 0.000 0.215 402 A C 2.641 180.251 177.584 0.044 0.000 1.186 402 A CA 2.093 54.171 52.037 0.070 0.000 0.616 402 A CB -0.848 18.181 19.000 0.049 0.000 0.823 402 A HN 0.402 nan 8.150 nan 0.000 0.442 403 T N -0.665 113.906 114.554 0.028 0.000 2.821 403 T HA -0.122 4.228 4.350 0.000 0.000 0.267 403 T C 2.086 176.796 174.700 0.018 0.000 1.046 403 T CA 1.624 63.733 62.100 0.015 0.000 1.139 403 T CB -0.214 68.654 68.868 0.000 0.000 0.871 403 T HN 0.474 nan 8.240 nan 0.000 0.454 404 R N 1.781 122.295 120.500 0.023 0.000 2.091 404 R HA 0.052 4.392 4.340 0.000 0.000 0.238 404 R C 2.361 178.682 176.300 0.036 0.000 1.136 404 R CA 1.729 57.846 56.100 0.027 0.000 0.959 404 R CB -0.910 29.413 30.300 0.039 0.000 0.856 404 R HN 0.356 nan 8.270 nan 0.000 0.437 405 A N -0.025 122.823 122.820 0.046 0.000 1.898 405 A HA 0.054 4.374 4.320 0.000 0.000 0.216 405 A C 2.334 179.935 177.584 0.030 0.000 1.181 405 A CA 1.488 53.550 52.037 0.041 0.000 0.620 405 A CB -0.944 18.083 19.000 0.045 0.000 0.819 405 A HN 0.463 nan 8.150 nan 0.000 0.442 406 A N -0.586 122.251 122.820 0.027 0.000 1.972 406 A HA 0.012 4.332 4.320 0.000 0.000 0.219 406 A C 2.120 179.715 177.584 0.017 0.000 1.169 406 A CA 1.712 53.761 52.037 0.020 0.000 0.635 406 A CB -0.724 18.287 19.000 0.018 0.000 0.810 406 A HN 0.375 nan 8.150 nan 0.000 0.446 407 V N -0.199 119.726 119.914 0.017 0.000 2.667 407 V HA -0.186 3.934 4.120 0.000 0.000 0.252 407 V C 2.268 178.371 176.094 0.015 0.000 1.065 407 V CA 2.016 64.325 62.300 0.014 0.000 1.083 407 V CB -0.572 31.258 31.823 0.012 0.000 0.692 407 V HN 0.633 nan 8.190 nan 0.000 0.468 408 E N -0.160 120.052 120.200 0.019 0.000 2.086 408 E HA -0.075 4.275 4.350 0.000 0.000 0.190 408 E C 1.431 178.041 176.600 0.018 0.000 0.975 408 E CA 1.000 57.411 56.400 0.019 0.000 0.813 408 E CB 0.150 29.864 29.700 0.024 0.000 0.768 408 E HN 0.645 nan 8.360 nan 0.000 0.457 409 E N -0.725 119.485 120.200 0.018 0.000 2.743 409 E HA 0.224 4.574 4.350 0.000 0.000 0.222 409 E C 0.225 176.834 176.600 0.015 0.000 0.959 409 E CA 0.098 56.508 56.400 0.016 0.000 1.198 409 E CB 1.728 31.438 29.700 0.017 0.000 1.100 409 E HN 0.221 nan 8.360 nan 0.000 0.518 410 G N 1.351 110.160 108.800 0.016 0.000 2.632 410 G HA2 -0.219 3.741 3.960 0.000 0.000 0.224 410 G HA3 -0.219 3.741 3.960 0.000 0.000 0.224 410 G C -0.279 174.631 174.900 0.016 0.000 1.341 410 G CA -0.409 44.700 45.100 0.015 0.000 0.880 410 G HN 0.554 nan 8.290 nan 0.000 0.566 411 V N -2.599 117.324 119.914 0.015 0.000 3.040 411 V HA 0.988 5.108 4.120 0.000 0.000 0.312 411 V C 0.472 176.576 176.094 0.016 0.000 1.115 411 V CA 0.137 62.446 62.300 0.015 0.000 0.998 411 V CB 1.447 33.278 31.823 0.013 0.000 1.042 411 V HN 2.448 nan 8.190 nan 0.000 0.433 412 V N -0.873 119.051 119.914 0.016 0.000 3.159 412 V HA 0.982 5.102 4.120 0.000 0.000 0.308 412 V C 0.420 176.523 176.094 0.016 0.000 1.190 412 V CA -0.751 61.559 62.300 0.017 0.000 1.037 412 V CB 1.268 33.102 31.823 0.018 0.000 1.060 412 V HN 2.070 nan 8.190 nan 0.000 0.437 413 A N 1.292 124.123 122.820 0.018 0.000 2.537 413 A HA 0.602 4.922 4.320 0.000 0.000 0.260 413 A C 0.949 178.538 177.584 0.008 0.000 1.082 413 A CA 0.711 52.755 52.037 0.013 0.000 0.765 413 A CB -0.813 18.198 19.000 0.019 0.000 1.019 413 A HN 1.888 nan 8.150 nan 0.000 0.507 414 G N 1.417 110.218 108.800 0.001 0.000 2.485 414 G HA2 0.490 4.450 3.960 0.000 0.000 0.260 414 G HA3 0.490 4.450 3.960 0.000 0.000 0.260 414 G C 1.229 176.126 174.900 -0.004 0.000 1.459 414 G CA -0.028 45.072 45.100 -0.001 0.000 1.060 414 G HN 2.201 nan 8.290 nan 0.000 0.546 415 G N -2.204 106.592 108.800 -0.006 0.000 2.168 415 G HA2 0.198 4.158 3.960 0.000 0.000 0.257 415 G HA3 0.198 4.158 3.960 0.000 0.000 0.257 415 G C 1.554 176.461 174.900 0.012 0.000 0.997 415 G CA 1.225 46.323 45.100 -0.002 0.000 0.708 415 G HN 2.490 nan 8.290 nan 0.000 0.520 416 G N -2.336 106.471 108.800 0.011 0.000 2.184 416 G HA2 -0.100 3.860 3.960 0.000 0.000 0.264 416 G HA3 -0.100 3.860 3.960 0.000 0.000 0.264 416 G C 1.885 176.795 174.900 0.018 0.000 0.975 416 G CA 1.942 47.050 45.100 0.015 0.000 0.642 416 G HN 2.231 nan 8.290 nan 0.000 0.536 417 V N -1.839 118.085 119.914 0.017 0.000 2.591 417 V HA 0.441 4.561 4.120 0.000 0.000 0.249 417 V C 2.757 178.867 176.094 0.027 0.000 1.053 417 V CA 1.894 64.208 62.300 0.022 0.000 1.068 417 V CB -0.562 31.270 31.823 0.014 0.000 0.689 417 V HN 1.399 nan 8.190 nan 0.000 0.462 418 A N 0.845 123.679 122.820 0.023 0.000 1.883 418 A HA -0.108 4.212 4.320 0.000 0.000 0.217 418 A C 2.253 179.852 177.584 0.025 0.000 1.186 418 A CA 2.348 54.400 52.037 0.026 0.000 0.624 418 A CB -0.772 18.241 19.000 0.021 0.000 0.822 418 A HN 0.593 nan 8.150 nan 0.000 0.444 419 L N -0.993 120.243 121.223 0.021 0.000 2.017 419 L HA -0.157 4.183 4.340 0.000 0.000 0.208 419 L C 2.553 179.436 176.870 0.022 0.000 1.073 419 L CA 1.612 56.464 54.840 0.020 0.000 0.745 419 L CB -0.329 41.741 42.059 0.017 0.000 0.894 419 L HN 0.537 nan 8.230 nan 0.000 0.432 420 I N -0.445 120.140 120.570 0.024 0.000 2.394 420 I HA -0.294 3.876 4.170 0.000 0.000 0.251 420 I C 2.742 178.880 176.117 0.035 0.000 1.136 420 I CA 0.928 62.244 61.300 0.027 0.000 1.425 420 I CB 0.019 38.036 38.000 0.028 0.000 1.079 420 I HN 0.191 nan 8.210 nan 0.000 0.425 421 R N 0.397 120.922 120.500 0.040 0.000 2.066 421 R HA -0.107 4.233 4.340 0.000 0.000 0.232 421 R C 2.023 178.345 176.300 0.037 0.000 1.131 421 R CA 2.022 58.151 56.100 0.048 0.000 0.955 421 R CB -1.046 29.287 30.300 0.055 0.000 0.851 421 R HN 0.253 nan 8.270 nan 0.000 0.432 422 V N 0.819 120.751 119.914 0.029 0.000 2.407 422 V HA -0.192 3.928 4.120 0.000 0.000 0.248 422 V C 2.242 178.348 176.094 0.020 0.000 1.055 422 V CA 1.983 64.296 62.300 0.023 0.000 1.049 422 V CB -0.649 31.186 31.823 0.019 0.000 0.662 422 V HN 0.582 nan 8.190 nan 0.000 0.455 423 A N 0.136 122.968 122.820 0.020 0.000 1.930 423 A HA -0.176 4.144 4.320 0.000 0.000 0.217 423 A C 2.509 180.104 177.584 0.018 0.000 1.175 423 A CA 1.916 53.963 52.037 0.017 0.000 0.627 423 A CB -0.746 18.264 19.000 0.016 0.000 0.815 423 A HN 0.708 nan 8.150 nan 0.000 0.443 424 S N 0.047 115.761 115.700 0.023 0.000 2.440 424 S HA -0.163 4.307 4.470 0.000 0.000 0.238 424 S C 1.591 176.203 174.600 0.020 0.000 1.010 424 S CA 1.552 59.766 58.200 0.024 0.000 0.972 424 S CB -0.361 62.859 63.200 0.034 0.000 0.774 424 S HN 0.630 nan 8.310 nan 0.000 0.501 425 K N 0.511 120.923 120.400 0.019 0.000 2.361 425 K HA 0.286 4.606 4.320 0.000 0.000 0.196 425 K C 0.922 177.530 176.600 0.012 0.000 1.039 425 K CA 0.326 56.623 56.287 0.016 0.000 1.001 425 K CB -0.089 32.421 32.500 0.017 0.000 0.795 425 K HN 0.424 nan 8.250 nan 0.000 0.495 426 L N 0.682 121.912 121.223 0.011 0.000 2.728 426 L HA 0.212 4.552 4.340 0.000 0.000 0.235 426 L C 1.765 178.639 176.870 0.007 0.000 1.197 426 L CA -0.308 54.537 54.840 0.008 0.000 0.992 426 L CB -0.068 41.996 42.059 0.007 0.000 1.263 426 L HN 0.051 nan 8.230 nan 0.000 0.484 427 A N 0.000 122.825 122.820 0.008 0.000 2.076 427 A HA -0.192 4.128 4.320 0.000 0.000 0.220 427 A C 1.585 179.172 177.584 0.005 0.000 1.160 427 A CA 1.673 53.714 52.037 0.007 0.000 0.653 427 A CB -0.184 18.821 19.000 0.007 0.000 0.801 427 A HN 0.402 nan 8.150 nan 0.000 0.455 428 D N -1.348 119.055 120.400 0.005 0.000 2.369 428 D HA 0.161 4.801 4.640 0.000 0.000 0.211 428 D C 0.187 176.489 176.300 0.003 0.000 1.077 428 D CA -0.319 53.683 54.000 0.003 0.000 0.842 428 D CB -0.010 40.792 40.800 0.003 0.000 0.947 428 D HN 0.344 nan 8.370 nan 0.000 0.509 429 L N 2.145 123.370 121.223 0.003 0.000 2.540 429 L HA 0.041 4.381 4.340 0.000 0.000 0.276 429 L C 0.111 176.982 176.870 0.002 0.000 1.212 429 L CA 0.666 55.507 54.840 0.003 0.000 0.893 429 L CB 0.121 42.182 42.059 0.003 0.000 1.138 429 L HN -0.217 nan 8.230 nan 0.000 0.491 430 R N 3.265 123.766 120.500 0.001 0.000 2.837 430 R HA 0.673 5.013 4.340 0.000 0.000 0.271 430 R C -0.106 176.194 176.300 0.001 0.000 0.993 430 R CA -0.288 55.812 56.100 0.001 0.000 0.931 430 R CB 1.499 31.800 30.300 0.001 0.000 1.206 430 R HN 0.807 nan 8.270 nan 0.000 0.474 431 G N -0.243 108.557 108.800 0.001 0.000 2.890 431 G HA2 0.194 4.154 3.960 0.000 0.000 0.189 431 G HA3 0.194 4.154 3.960 0.000 0.000 0.189 431 G C 0.090 174.990 174.900 0.000 0.000 1.342 431 G CA -0.174 44.926 45.100 0.000 0.000 1.026 431 G HN 0.425 nan 8.290 nan 0.000 0.579 432 Q N -0.586 119.214 119.800 0.000 0.000 2.376 432 Q HA 0.144 4.484 4.340 0.000 0.000 0.206 432 Q C -0.008 175.993 176.000 0.000 0.000 0.921 432 Q CA 0.624 56.427 55.803 0.000 0.000 0.911 432 Q CB 0.242 28.980 28.738 0.000 0.000 1.032 432 Q HN 0.630 nan 8.270 nan 0.000 0.510 433 N N -2.019 116.681 118.700 0.001 0.000 2.972 433 N HA 0.085 4.825 4.740 0.000 0.000 0.262 433 N C -0.071 175.440 175.510 0.001 0.000 1.478 433 N CA -0.609 52.441 53.050 0.001 0.000 0.841 433 N CB 0.472 38.959 38.487 0.001 0.000 1.512 433 N HN -0.360 nan 8.380 nan 0.000 0.548 434 E N -0.209 119.991 120.200 0.001 0.000 2.110 434 E HA -0.129 4.221 4.350 0.000 0.000 0.193 434 E C 0.310 176.910 176.600 0.001 0.000 0.988 434 E CA 1.113 57.514 56.400 0.001 0.000 0.804 434 E CB -0.279 29.422 29.700 0.001 0.000 0.745 434 E HN 0.563 nan 8.360 nan 0.000 0.458 435 D N 0.532 120.932 120.400 0.001 0.000 2.097 435 D HA -0.155 4.485 4.640 0.000 0.000 0.195 435 D C 1.969 178.271 176.300 0.002 0.000 0.989 435 D CA 0.905 54.906 54.000 0.002 0.000 0.827 435 D CB -0.178 40.623 40.800 0.002 0.000 0.966 435 D HN 0.273 nan 8.370 nan 0.000 0.456 436 Q N 0.116 119.917 119.800 0.002 0.000 2.170 436 Q HA -0.114 4.226 4.340 0.000 0.000 0.203 436 Q C 1.827 177.828 176.000 0.002 0.000 0.976 436 Q CA 0.741 56.545 55.803 0.001 0.000 0.858 436 Q CB 0.057 28.796 28.738 0.001 0.000 0.907 436 Q HN 0.248 nan 8.270 nan 0.000 0.433 437 N N -0.207 118.493 118.700 0.001 0.000 2.142 437 N HA -0.119 4.621 4.740 0.000 0.000 0.186 437 N C 1.837 177.348 175.510 0.002 0.000 1.023 437 N CA 1.013 54.064 53.050 0.002 0.000 0.852 437 N CB -0.250 38.238 38.487 0.001 0.000 0.998 437 N HN 0.060 nan 8.380 nan 0.000 0.424 438 V N 1.060 120.975 119.914 0.002 0.000 2.343 438 V HA -0.158 3.962 4.120 0.000 0.000 0.247 438 V C 2.477 178.573 176.094 0.003 0.000 1.051 438 V CA 2.003 64.304 62.300 0.003 0.000 1.036 438 V CB -1.270 30.554 31.823 0.002 0.000 0.654 438 V HN 0.331 nan 8.190 nan 0.000 0.451 439 G N 0.044 108.846 108.800 0.003 0.000 2.446 439 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 439 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 439 G C 1.569 176.471 174.900 0.003 0.000 1.168 439 G CA 1.178 46.279 45.100 0.003 0.000 0.771 439 G HN 0.486 nan 8.290 nan 0.000 0.551 440 I N 0.362 120.933 120.570 0.002 0.000 2.163 440 I HA -0.166 4.004 4.170 0.000 0.000 0.243 440 I C 2.699 178.818 176.117 0.003 0.000 1.085 440 I CA 1.132 62.434 61.300 0.002 0.000 1.347 440 I CB -0.150 37.852 38.000 0.002 0.000 1.044 440 I HN 0.038 nan 8.210 nan 0.000 0.408 441 K N 0.505 120.907 120.400 0.004 0.000 2.148 441 K HA -0.061 4.259 4.320 0.000 0.000 0.204 441 K C 2.119 178.722 176.600 0.005 0.000 1.050 441 K CA 0.922 57.212 56.287 0.004 0.000 0.942 441 K CB -0.569 31.934 32.500 0.004 0.000 0.724 441 K HN 0.227 nan 8.250 nan 0.000 0.446 442 V N 1.585 121.502 119.914 0.004 0.000 2.295 442 V HA -0.239 3.881 4.120 0.000 0.000 0.246 442 V C 2.466 178.564 176.094 0.006 0.000 1.049 442 V CA 2.007 64.309 62.300 0.005 0.000 1.024 442 V CB -0.724 31.102 31.823 0.005 0.000 0.648 442 V HN 0.283 nan 8.190 nan 0.000 0.447 443 A N -0.256 122.567 122.820 0.005 0.000 1.873 443 A HA -0.120 4.200 4.320 0.000 0.000 0.215 443 A C 2.190 179.778 177.584 0.007 0.000 1.186 443 A CA 1.650 53.690 52.037 0.006 0.000 0.616 443 A CB -0.554 18.448 19.000 0.004 0.000 0.823 443 A HN 0.485 nan 8.150 nan 0.000 0.442 444 L N -1.142 120.085 121.223 0.006 0.000 2.079 444 L HA -0.189 4.151 4.340 0.000 0.000 0.210 444 L C 2.818 179.693 176.870 0.008 0.000 1.081 444 L CA 1.741 56.586 54.840 0.008 0.000 0.752 444 L CB -0.513 41.550 42.059 0.008 0.000 0.896 444 L HN 0.444 nan 8.230 nan 0.000 0.433 445 R N 0.239 120.743 120.500 0.007 0.000 2.075 445 R HA -0.140 4.200 4.340 0.000 0.000 0.232 445 R C 2.388 178.693 176.300 0.007 0.000 1.126 445 R CA 1.313 57.417 56.100 0.007 0.000 0.963 445 R CB -0.192 30.111 30.300 0.005 0.000 0.858 445 R HN 0.336 nan 8.270 nan 0.000 0.435 446 A N 0.770 123.594 122.820 0.007 0.000 1.933 446 A HA -0.162 4.158 4.320 0.000 0.000 0.218 446 A C 2.077 179.667 177.584 0.010 0.000 1.175 446 A CA 1.398 53.440 52.037 0.008 0.000 0.628 446 A CB -0.427 18.578 19.000 0.009 0.000 0.814 446 A HN 0.341 nan 8.150 nan 0.000 0.444 447 M N -0.507 119.100 119.600 0.010 0.000 2.623 447 M HA -0.147 4.333 4.480 0.000 0.000 0.258 447 M C 1.274 177.581 176.300 0.012 0.000 1.067 447 M CA 1.087 56.394 55.300 0.012 0.000 1.068 447 M CB -0.272 32.336 32.600 0.012 0.000 1.409 447 M HN 0.486 nan 8.290 nan 0.000 0.504 448 E N -0.281 119.925 120.200 0.010 0.000 2.452 448 E HA 0.072 4.423 4.350 0.000 0.000 0.197 448 E C 2.019 178.622 176.600 0.005 0.000 1.022 448 E CA 0.296 56.701 56.400 0.008 0.000 0.890 448 E CB 0.161 29.865 29.700 0.007 0.000 0.918 448 E HN 0.479 nan 8.360 nan 0.000 0.496 449 A N 2.443 125.266 122.820 0.006 0.000 1.873 449 A HA -0.148 4.172 4.320 0.000 0.000 0.218 449 A C -0.329 177.258 177.584 0.005 0.000 1.193 449 A CA 1.393 53.433 52.037 0.005 0.000 0.629 449 A CB -1.469 17.535 19.000 0.007 0.000 0.826 449 A HN 0.118 nan 8.150 nan 0.000 0.447 450 P HA -0.178 nan 4.420 nan 0.000 0.214 450 P C 1.847 179.151 177.300 0.008 0.000 1.163 450 P CA 0.947 64.052 63.100 0.008 0.000 0.889 450 P CB -0.136 31.571 31.700 0.011 0.000 0.790 451 L N -0.727 120.500 121.223 0.008 0.000 1.989 451 L HA -0.223 4.117 4.340 0.000 0.000 0.211 451 L C 2.486 179.353 176.870 -0.006 0.000 1.071 451 L CA 1.933 56.778 54.840 0.007 0.000 0.749 451 L CB -0.438 41.624 42.059 0.006 0.000 0.890 451 L HN -0.106 nan 8.230 nan 0.000 0.431 452 R N -0.677 119.816 120.500 -0.012 0.000 2.103 452 R HA -0.278 4.062 4.340 0.000 0.000 0.242 452 R C 2.241 178.532 176.300 -0.015 0.000 1.142 452 R CA 1.995 58.082 56.100 -0.021 0.000 0.960 452 R CB -0.351 29.940 30.300 -0.015 0.000 0.858 452 R HN 0.384 nan 8.270 nan 0.000 0.439 453 Q N 0.974 120.771 119.800 -0.005 0.000 2.079 453 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 453 Q C 1.858 177.860 176.000 0.003 0.000 0.974 453 Q CA 1.532 57.334 55.803 -0.001 0.000 0.840 453 Q CB -0.153 28.586 28.738 0.002 0.000 0.898 453 Q HN 0.359 nan 8.270 nan 0.000 0.430 454 I N -0.620 119.955 120.570 0.009 0.000 2.163 454 I HA -0.287 3.883 4.170 0.000 0.000 0.243 454 I C 2.014 178.150 176.117 0.031 0.000 1.085 454 I CA 1.081 62.394 61.300 0.021 0.000 1.347 454 I CB -0.308 37.712 38.000 0.032 0.000 1.044 454 I HN 0.083 nan 8.210 nan 0.000 0.408 455 V N 0.543 120.465 119.914 0.012 0.000 2.427 455 V HA -0.259 3.861 4.120 0.000 0.000 0.248 455 V C 2.347 178.436 176.094 -0.009 0.000 1.051 455 V CA 1.498 63.791 62.300 -0.012 0.000 1.048 455 V CB -0.471 31.282 31.823 -0.118 0.000 0.666 455 V HN 0.354 nan 8.190 nan 0.000 0.456 456 L N 0.745 121.961 121.223 -0.011 0.000 2.083 456 L HA -0.125 4.215 4.340 0.000 0.000 0.209 456 L C 2.171 179.043 176.870 0.003 0.000 1.083 456 L CA 1.875 56.711 54.840 -0.007 0.000 0.752 456 L CB -0.821 41.234 42.059 -0.007 0.000 0.899 456 L HN 0.300 nan 8.230 nan 0.000 0.433 457 N N -1.088 117.616 118.700 0.007 0.000 2.289 457 N HA -0.160 4.580 4.740 0.000 0.000 0.184 457 N C 1.719 177.238 175.510 0.015 0.000 1.016 457 N CA 1.566 54.622 53.050 0.009 0.000 0.872 457 N CB -0.666 37.827 38.487 0.009 0.000 0.973 457 N HN 0.426 nan 8.380 nan 0.000 0.433 458 C N -0.539 118.776 119.300 0.026 0.000 2.500 458 C HA 0.230 4.690 4.460 0.000 0.000 0.273 458 C C 1.648 176.656 174.990 0.029 0.000 1.428 458 C CA 0.400 59.441 59.018 0.037 0.000 1.766 458 C CB -1.148 26.640 27.740 0.079 0.000 1.817 458 C HN 0.628 nan 8.230 nan 0.000 0.543 459 G N 0.885 109.695 108.800 0.018 0.000 2.137 459 G HA2 -0.155 3.805 3.960 0.000 0.000 0.237 459 G HA3 -0.155 3.805 3.960 0.000 0.000 0.237 459 G C -0.197 174.710 174.900 0.012 0.000 1.002 459 G CA 0.147 45.255 45.100 0.013 0.000 0.702 459 G HN 0.506 nan 8.290 nan 0.000 0.515 460 E N -0.012 120.191 120.200 0.006 0.000 2.285 460 E HA 0.456 4.806 4.350 0.000 0.000 0.254 460 E C 0.060 176.640 176.600 -0.032 0.000 1.011 460 E CA -0.724 55.669 56.400 -0.011 0.000 0.873 460 E CB 0.684 30.367 29.700 -0.028 0.000 1.229 460 E HN 0.462 nan 8.360 nan 0.000 0.422 461 E N 1.490 121.663 120.200 -0.045 0.000 2.046 461 E HA 0.156 4.506 4.350 0.000 0.000 0.279 461 E C -1.807 174.753 176.600 -0.067 0.000 0.989 461 E CA -1.677 54.698 56.400 -0.042 0.000 0.798 461 E CB 1.112 30.797 29.700 -0.025 0.000 1.086 461 E HN 0.116 nan 8.360 nan 0.000 0.399 462 P HA -0.240 nan 4.420 nan 0.000 0.215 462 P C 1.200 178.468 177.300 -0.052 0.000 1.163 462 P CA 1.279 64.340 63.100 -0.065 0.000 0.894 462 P CB 0.291 31.967 31.700 -0.039 0.000 0.791 463 S N -0.792 114.888 115.700 -0.032 0.000 2.374 463 S HA -0.149 4.321 4.470 0.000 0.000 0.227 463 S C 1.966 176.554 174.600 -0.020 0.000 1.037 463 S CA 1.658 59.846 58.200 -0.020 0.000 1.024 463 S CB -1.315 61.877 63.200 -0.013 0.000 0.861 463 S HN -0.032 nan 8.310 nan 0.000 0.456 464 V N 1.130 121.029 119.914 -0.026 0.000 2.283 464 V HA -0.099 4.021 4.120 0.000 0.000 0.243 464 V C 2.317 178.405 176.094 -0.010 0.000 1.039 464 V CA 1.352 63.643 62.300 -0.015 0.000 1.016 464 V CB -0.839 30.978 31.823 -0.010 0.000 0.650 464 V HN 0.343 nan 8.190 nan 0.000 0.449 465 V N 0.542 120.417 119.914 -0.065 0.000 2.343 465 V HA -0.236 3.884 4.120 0.000 0.000 0.247 465 V C 2.753 178.839 176.094 -0.012 0.000 1.051 465 V CA 1.983 64.228 62.300 -0.090 0.000 1.036 465 V CB -1.178 30.372 31.823 -0.454 0.000 0.654 465 V HN 0.543 nan 8.190 nan 0.000 0.451 466 A N 0.420 123.220 122.820 -0.033 0.000 1.902 466 A HA -0.287 4.033 4.320 0.000 0.000 0.217 466 A C 2.078 179.679 177.584 0.029 0.000 1.181 466 A CA 2.320 54.357 52.037 0.001 0.000 0.623 466 A CB -0.848 18.147 19.000 -0.009 0.000 0.818 466 A HN 0.597 nan 8.150 nan 0.000 0.443 467 N N -0.607 118.104 118.700 0.019 0.000 2.120 467 N HA -0.119 4.621 4.740 0.000 0.000 0.188 467 N C 1.680 177.214 175.510 0.040 0.000 1.024 467 N CA 2.298 55.362 53.050 0.022 0.000 0.852 467 N CB -0.359 38.133 38.487 0.008 0.000 1.003 467 N HN 0.409 nan 8.380 nan 0.000 0.424 468 T N -0.625 113.959 114.554 0.050 0.000 2.812 468 T HA -0.030 4.320 4.350 0.000 0.000 0.264 468 T C 1.960 176.766 174.700 0.176 0.000 1.042 468 T CA 1.061 63.192 62.100 0.051 0.000 1.140 468 T CB -0.363 68.459 68.868 -0.076 0.000 0.870 468 T HN 0.002 nan 8.240 nan 0.000 0.445 469 V N 1.648 121.682 119.914 0.201 0.000 2.343 469 V HA -0.175 3.945 4.120 0.000 0.000 0.247 469 V C 2.457 178.668 176.094 0.194 0.000 1.051 469 V CA 1.554 63.978 62.300 0.206 0.000 1.036 469 V CB -0.481 31.413 31.823 0.119 0.000 0.654 469 V HN 0.463 nan 8.190 nan 0.000 0.451 470 K N 0.124 120.597 120.400 0.121 0.000 2.148 470 K HA -0.087 4.233 4.320 0.000 0.000 0.204 470 K C 2.236 178.889 176.600 0.087 0.000 1.050 470 K CA 1.271 57.611 56.287 0.089 0.000 0.942 470 K CB -0.555 31.977 32.500 0.054 0.000 0.724 470 K HN 0.569 nan 8.250 nan 0.000 0.446 471 G N 1.173 110.026 108.800 0.088 0.000 2.432 471 G HA2 -0.148 3.812 3.960 0.000 0.000 0.219 471 G HA3 -0.148 3.812 3.960 0.000 0.000 0.219 471 G C 0.850 175.769 174.900 0.032 0.000 1.135 471 G CA 0.898 46.026 45.100 0.047 0.000 0.767 471 G HN 0.390 nan 8.290 nan 0.000 0.550 472 G N -0.230 108.632 108.800 0.102 0.000 2.531 472 G HA2 0.495 4.455 3.960 0.000 0.000 0.253 472 G HA3 0.495 4.455 3.960 0.000 0.000 0.253 472 G C -0.584 174.364 174.900 0.081 0.000 1.439 472 G CA 0.327 45.425 45.100 -0.003 0.000 1.056 472 G HN 0.416 nan 8.290 nan 0.000 0.555 473 D N -3.557 116.889 120.400 0.078 0.000 2.677 473 D HA 0.530 5.170 4.640 0.000 0.000 0.298 473 D C 0.640 177.009 176.300 0.115 0.000 1.250 473 D CA 0.442 54.494 54.000 0.087 0.000 0.888 473 D CB 0.628 41.448 40.800 0.033 0.000 1.397 473 D HN 1.704 nan 8.370 nan 0.000 0.461 474 G N 0.506 109.357 108.800 0.084 0.000 2.550 474 G HA2 -0.294 3.666 3.960 0.000 0.000 0.277 474 G HA3 -0.294 3.666 3.960 0.000 0.000 0.277 474 G C -0.076 174.886 174.900 0.102 0.000 1.190 474 G CA 0.383 45.532 45.100 0.081 0.000 0.971 474 G HN 0.734 nan 8.290 nan 0.000 0.559 475 N N 0.085 118.849 118.700 0.107 0.000 2.451 475 N HA 0.377 5.117 4.740 0.000 0.000 0.264 475 N C -0.292 175.299 175.510 0.134 0.000 1.167 475 N CA -0.091 53.017 53.050 0.096 0.000 0.898 475 N CB 0.380 38.904 38.487 0.063 0.000 1.176 475 N HN 0.548 nan 8.380 nan 0.000 0.507 476 Y N 0.936 121.270 120.300 0.057 0.000 2.436 476 Y HA 0.553 5.103 4.550 0.000 0.000 0.336 476 Y C 0.678 176.647 175.900 0.116 0.000 1.049 476 Y CA -0.282 57.868 58.100 0.083 0.000 1.294 476 Y CB 0.079 38.585 38.460 0.076 0.000 1.179 476 Y HN 0.111 nan 8.280 nan 0.000 0.520 477 G N 4.154 112.724 108.800 -0.383 0.000 2.911 477 G HA2 0.261 4.221 3.960 0.000 0.000 0.299 477 G HA3 0.261 4.221 3.960 0.000 0.000 0.299 477 G C -2.405 172.341 174.900 -0.257 0.000 1.283 477 G CA -0.903 44.037 45.100 -0.266 0.000 0.805 477 G HN 0.529 nan 8.290 nan 0.000 0.548 478 Y N 1.596 121.704 120.300 -0.320 0.000 2.334 478 Y HA 0.518 5.068 4.550 0.000 0.000 0.336 478 Y C -0.025 175.682 175.900 -0.320 0.000 0.960 478 Y CA -1.316 56.482 58.100 -0.503 0.000 1.164 478 Y CB 1.312 39.457 38.460 -0.525 0.000 1.155 478 Y HN 0.414 nan 8.280 nan 0.000 0.478 479 N N 4.943 123.234 118.700 -0.682 0.000 2.402 479 N HA 0.106 4.846 4.740 0.000 0.000 0.259 479 N C 0.612 175.660 175.510 -0.770 0.000 1.167 479 N CA 0.688 53.427 53.050 -0.519 0.000 0.949 479 N CB 1.373 39.639 38.487 -0.367 0.000 1.212 479 N HN 0.941 nan 8.380 nan 0.000 0.493 480 A N 4.019 126.560 122.820 -0.465 0.000 2.019 480 A HA -0.058 4.262 4.320 0.000 0.000 0.219 480 A C 2.057 179.504 177.584 -0.228 0.000 1.164 480 A CA 1.637 53.495 52.037 -0.299 0.000 0.644 480 A CB -0.434 18.546 19.000 -0.033 0.000 0.805 480 A HN 0.726 nan 8.150 nan 0.000 0.449 481 A N -0.130 122.569 122.820 -0.201 0.000 1.832 481 A HA -0.096 4.224 4.320 0.000 0.000 0.214 481 A C 2.438 179.931 177.584 -0.152 0.000 1.200 481 A CA 2.513 54.468 52.037 -0.136 0.000 0.610 481 A CB -1.399 17.536 19.000 -0.108 0.000 0.842 481 A HN 0.805 nan 8.150 nan 0.000 0.444 482 T N -2.833 111.606 114.554 -0.192 0.000 3.085 482 T HA 0.113 4.463 4.350 0.000 0.000 0.263 482 T C 0.324 174.895 174.700 -0.214 0.000 1.127 482 T CA 0.911 62.912 62.100 -0.166 0.000 1.103 482 T CB -0.482 68.301 68.868 -0.142 0.000 0.921 482 T HN 0.594 nan 8.240 nan 0.000 0.510 483 E N 1.200 121.168 120.200 -0.387 0.000 2.320 483 E HA -0.129 4.221 4.350 0.000 0.000 0.234 483 E C -0.850 175.532 176.600 -0.363 0.000 1.183 483 E CA 0.402 56.518 56.400 -0.472 0.000 0.713 483 E CB -0.918 28.720 29.700 -0.103 0.000 1.226 483 E HN 0.658 nan 8.360 nan 0.000 0.382 484 E N -0.361 119.540 120.200 -0.499 0.000 2.356 484 E HA 0.338 4.688 4.350 0.000 0.000 0.275 484 E C -0.674 175.746 176.600 -0.299 0.000 0.904 484 E CA -0.704 55.568 56.400 -0.215 0.000 0.757 484 E CB 1.026 30.673 29.700 -0.089 0.000 1.232 484 E HN 0.038 nan 8.360 nan 0.000 0.442 485 Y N 0.176 120.467 120.300 -0.016 0.000 2.334 485 Y HA 0.649 5.199 4.550 0.000 0.000 0.325 485 Y C 1.321 177.217 175.900 -0.007 0.000 1.308 485 Y CA 0.633 58.703 58.100 -0.050 0.000 1.389 485 Y CB 1.350 39.831 38.460 0.035 0.000 1.328 485 Y HN 0.716 nan 8.280 nan 0.000 0.532 486 G N 0.228 109.108 108.800 0.133 0.000 2.352 486 G HA2 -0.064 3.896 3.960 0.000 0.000 0.283 486 G HA3 -0.064 3.896 3.960 0.000 0.000 0.283 486 G C -1.806 173.178 174.900 0.141 0.000 1.308 486 G CA -1.192 44.028 45.100 0.200 0.000 0.892 486 G HN 0.585 nan 8.290 nan 0.000 0.504 487 N N 1.041 119.820 118.700 0.132 0.000 2.411 487 N HA 0.156 4.896 4.740 0.000 0.000 0.259 487 N C 1.767 177.298 175.510 0.035 0.000 1.103 487 N CA -0.515 52.596 53.050 0.101 0.000 0.954 487 N CB 0.808 39.349 38.487 0.090 0.000 1.085 487 N HN 0.398 nan 8.380 nan 0.000 0.485 488 M N 3.540 123.149 119.600 0.016 0.000 2.149 488 M HA -0.160 4.320 4.480 0.000 0.000 0.261 488 M C 1.625 177.924 176.300 -0.003 0.000 1.064 488 M CA 1.124 56.417 55.300 -0.012 0.000 1.102 488 M CB -0.564 32.028 32.600 -0.014 0.000 1.369 488 M HN 0.564 nan 8.290 nan 0.000 0.408 489 I N 0.203 120.780 120.570 0.013 0.000 2.233 489 I HA -0.238 3.932 4.170 0.000 0.000 0.243 489 I C 1.950 178.072 176.117 0.009 0.000 1.093 489 I CA 1.288 62.595 61.300 0.012 0.000 1.380 489 I CB -1.522 36.489 38.000 0.019 0.000 1.067 489 I HN 0.243 nan 8.210 nan 0.000 0.413 490 D N 0.893 121.302 120.400 0.016 0.000 2.123 490 D HA -0.170 4.470 4.640 0.000 0.000 0.196 490 D C 2.191 178.492 176.300 0.003 0.000 0.992 490 D CA 1.254 55.262 54.000 0.013 0.000 0.833 490 D CB -0.150 40.664 40.800 0.023 0.000 0.954 490 D HN 0.333 nan 8.370 nan 0.000 0.455 491 M N -0.361 119.237 119.600 -0.004 0.000 2.686 491 M HA 0.069 4.549 4.480 0.000 0.000 0.246 491 M C 0.963 177.249 176.300 -0.023 0.000 1.096 491 M CA 0.579 55.867 55.300 -0.020 0.000 1.076 491 M CB 0.158 32.734 32.600 -0.038 0.000 1.504 491 M HN 0.036 nan 8.290 nan 0.000 0.524 492 G N 2.284 111.075 108.800 -0.014 0.000 2.246 492 G HA2 -0.249 3.711 3.960 0.000 0.000 0.273 492 G HA3 -0.249 3.711 3.960 0.000 0.000 0.273 492 G C -0.098 174.790 174.900 -0.020 0.000 1.055 492 G CA -0.123 44.969 45.100 -0.014 0.000 0.851 492 G HN 0.546 nan 8.290 nan 0.000 0.500 493 I N 0.544 121.100 120.570 -0.023 0.000 2.428 493 I HA 0.527 4.697 4.170 0.000 0.000 0.279 493 I C 0.083 176.191 176.117 -0.016 0.000 1.040 493 I CA -0.906 60.377 61.300 -0.028 0.000 1.171 493 I CB 0.736 38.707 38.000 -0.048 0.000 1.312 493 I HN 0.220 nan 8.210 nan 0.000 0.470 494 L N 3.380 124.598 121.223 -0.008 0.000 2.479 494 L HA 0.778 5.118 4.340 0.000 0.000 0.255 494 L C -1.373 175.500 176.870 0.004 0.000 1.026 494 L CA -0.708 54.132 54.840 -0.000 0.000 0.842 494 L CB 1.618 43.680 42.059 0.004 0.000 1.444 494 L HN 0.061 nan 8.230 nan 0.000 0.409 495 D N -0.240 120.165 120.400 0.008 0.000 2.575 495 D HA 0.494 5.134 4.640 0.000 0.000 0.236 495 D C -2.777 173.533 176.300 0.015 0.000 1.075 495 D CA -1.302 52.705 54.000 0.012 0.000 0.860 495 D CB 2.442 43.249 40.800 0.012 0.000 1.475 495 D HN 0.370 nan 8.370 nan 0.000 0.474 496 P HA 0.055 nan 4.420 nan 0.000 0.267 496 P C 0.854 178.167 177.300 0.021 0.000 1.205 496 P CA 0.170 63.283 63.100 0.021 0.000 0.765 496 P CB 0.572 32.288 31.700 0.026 0.000 0.828 497 T N 2.664 117.230 114.554 0.019 0.000 2.721 497 T HA -0.243 4.107 4.350 0.000 0.000 0.268 497 T C 1.614 176.326 174.700 0.020 0.000 1.038 497 T CA 1.417 63.529 62.100 0.018 0.000 1.145 497 T CB -0.288 68.589 68.868 0.016 0.000 0.858 497 T HN 0.501 nan 8.240 nan 0.000 0.459 498 K N 0.495 120.909 120.400 0.023 0.000 2.057 498 K HA -0.074 4.246 4.320 0.000 0.000 0.207 498 K C 2.374 178.995 176.600 0.036 0.000 1.049 498 K CA 1.144 57.448 56.287 0.028 0.000 0.931 498 K CB -0.421 32.098 32.500 0.032 0.000 0.714 498 K HN 0.238 nan 8.250 nan 0.000 0.440 499 V N 0.762 120.696 119.914 0.033 0.000 2.358 499 V HA -0.207 3.913 4.120 0.000 0.000 0.246 499 V C 1.747 177.864 176.094 0.038 0.000 1.047 499 V CA 2.516 64.838 62.300 0.036 0.000 1.035 499 V CB -0.402 31.437 31.823 0.026 0.000 0.658 499 V HN 0.454 nan 8.190 nan 0.000 0.452 500 T N 0.224 114.795 114.554 0.029 0.000 2.777 500 T HA -0.176 4.174 4.350 0.000 0.000 0.266 500 T C 1.941 176.657 174.700 0.027 0.000 1.040 500 T CA 1.913 64.029 62.100 0.027 0.000 1.141 500 T CB -0.329 68.552 68.868 0.020 0.000 0.868 500 T HN 0.552 nan 8.240 nan 0.000 0.444 501 R N 0.865 121.378 120.500 0.022 0.000 2.073 501 R HA -0.084 4.256 4.340 0.000 0.000 0.234 501 R C 2.565 178.871 176.300 0.010 0.000 1.134 501 R CA 1.781 57.887 56.100 0.010 0.000 0.952 501 R CB -0.351 29.951 30.300 0.003 0.000 0.850 501 R HN 0.219 nan 8.270 nan 0.000 0.433 502 S N 0.464 116.192 115.700 0.046 0.000 2.368 502 S HA -0.117 4.353 4.470 0.000 0.000 0.225 502 S C 1.999 176.712 174.600 0.189 0.000 1.030 502 S CA 1.101 59.370 58.200 0.114 0.000 0.999 502 S CB -0.257 63.066 63.200 0.205 0.000 0.844 502 S HN 0.577 nan 8.310 nan 0.000 0.459 503 A N 1.478 124.377 122.820 0.131 0.000 1.883 503 A HA -0.109 4.211 4.320 0.000 0.000 0.217 503 A C 2.143 179.784 177.584 0.094 0.000 1.186 503 A CA 1.611 53.717 52.037 0.116 0.000 0.624 503 A CB -0.806 18.232 19.000 0.063 0.000 0.822 503 A HN 0.418 nan 8.150 nan 0.000 0.444 504 L N -0.226 121.027 121.223 0.050 0.000 2.005 504 L HA -0.184 4.156 4.340 0.000 0.000 0.207 504 L C 2.522 179.393 176.870 0.003 0.000 1.072 504 L CA 2.414 57.268 54.840 0.024 0.000 0.744 504 L CB -0.882 41.183 42.059 0.009 0.000 0.895 504 L HN 0.520 nan 8.230 nan 0.000 0.433 505 Q N -1.839 117.934 119.800 -0.045 0.000 2.124 505 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 505 Q C 2.152 178.060 176.000 -0.153 0.000 0.977 505 Q CA 1.983 57.707 55.803 -0.132 0.000 0.850 505 Q CB -0.308 28.291 28.738 -0.232 0.000 0.901 505 Q HN 0.517 nan 8.270 nan 0.000 0.429 506 Y N 0.094 120.392 120.300 -0.002 0.000 2.242 506 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 506 Y C 2.321 178.219 175.900 -0.003 0.000 1.137 506 Y CA 0.925 59.023 58.100 -0.003 0.000 1.181 506 Y CB -0.524 37.932 38.460 -0.006 0.000 0.989 506 Y HN 0.129 nan 8.280 nan 0.000 0.527 507 A N -0.035 122.870 122.820 0.143 0.000 1.855 507 A HA -0.101 4.219 4.320 0.000 0.000 0.215 507 A C 2.467 180.082 177.584 0.052 0.000 1.191 507 A CA 1.810 53.897 52.037 0.082 0.000 0.613 507 A CB -1.318 17.716 19.000 0.057 0.000 0.829 507 A HN 0.364 nan 8.150 nan 0.000 0.442 508 A N -0.744 122.094 122.820 0.030 0.000 1.978 508 A HA -0.138 4.182 4.320 0.000 0.000 0.220 508 A C 2.446 180.037 177.584 0.012 0.000 1.170 508 A CA 2.311 54.355 52.037 0.012 0.000 0.636 508 A CB -0.887 18.109 19.000 -0.007 0.000 0.810 508 A HN 0.574 nan 8.150 nan 0.000 0.448 509 S N -1.010 114.701 115.700 0.018 0.000 2.338 509 S HA -0.130 4.340 4.470 0.000 0.000 0.218 509 S C 1.974 176.598 174.600 0.041 0.000 1.032 509 S CA 1.618 59.833 58.200 0.023 0.000 0.999 509 S CB -0.611 62.610 63.200 0.035 0.000 0.905 509 S HN 0.580 nan 8.310 nan 0.000 0.439 510 V N 1.868 121.819 119.914 0.061 0.000 2.490 510 V HA -0.016 4.104 4.120 0.000 0.000 0.250 510 V C 2.524 178.638 176.094 0.033 0.000 1.061 510 V CA 2.017 64.346 62.300 0.048 0.000 1.064 510 V CB -1.045 30.808 31.823 0.051 0.000 0.670 510 V HN 0.588 nan 8.190 nan 0.000 0.461 511 A N 0.081 122.920 122.820 0.031 0.000 1.877 511 A HA -0.018 4.302 4.320 0.000 0.000 0.216 511 A C 2.387 179.982 177.584 0.019 0.000 1.186 511 A CA 1.823 53.874 52.037 0.023 0.000 0.620 511 A CB -1.435 17.577 19.000 0.021 0.000 0.822 511 A HN 0.641 nan 8.150 nan 0.000 0.443 512 G N -0.186 108.624 108.800 0.017 0.000 2.418 512 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 512 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 512 G C 1.561 176.470 174.900 0.016 0.000 1.158 512 G CA 1.042 46.150 45.100 0.013 0.000 0.771 512 G HN 0.425 nan 8.290 nan 0.000 0.545 513 L N -0.303 120.932 121.223 0.019 0.000 2.017 513 L HA -0.061 4.279 4.340 0.000 0.000 0.208 513 L C 3.129 180.011 176.870 0.021 0.000 1.073 513 L CA 1.126 55.978 54.840 0.020 0.000 0.745 513 L CB -0.345 41.728 42.059 0.023 0.000 0.894 513 L HN 0.243 nan 8.230 nan 0.000 0.432 514 M N -0.585 119.028 119.600 0.021 0.000 2.132 514 M HA -0.209 4.271 4.480 0.000 0.000 0.263 514 M C 2.275 178.587 176.300 0.020 0.000 1.065 514 M CA 1.766 57.079 55.300 0.021 0.000 1.122 514 M CB -0.323 32.290 32.600 0.021 0.000 1.365 514 M HN 0.205 nan 8.290 nan 0.000 0.411 515 I N 0.011 120.592 120.570 0.018 0.000 2.454 515 I HA -0.202 3.968 4.170 0.000 0.000 0.254 515 I C 1.581 177.709 176.117 0.017 0.000 1.156 515 I CA 1.341 62.650 61.300 0.016 0.000 1.433 515 I CB -0.562 37.446 38.000 0.013 0.000 1.082 515 I HN 0.390 nan 8.210 nan 0.000 0.432 516 T N -3.033 111.532 114.554 0.018 0.000 3.258 516 T HA 0.191 4.541 4.350 0.000 0.000 0.263 516 T C 0.377 175.092 174.700 0.025 0.000 0.983 516 T CA -0.348 61.764 62.100 0.020 0.000 0.907 516 T CB -0.312 68.566 68.868 0.017 0.000 1.096 516 T HN -0.084 nan 8.240 nan 0.000 0.556 517 T N 1.925 116.494 114.554 0.026 0.000 2.795 517 T HA 0.390 4.740 4.350 0.000 0.000 0.282 517 T C 0.455 175.177 174.700 0.038 0.000 0.980 517 T CA -0.601 61.517 62.100 0.029 0.000 1.012 517 T CB 1.821 70.704 68.868 0.025 0.000 0.936 517 T HN 0.086 nan 8.240 nan 0.000 0.457 518 E N 0.482 120.715 120.200 0.054 0.000 2.514 518 E HA 0.185 4.535 4.350 0.000 0.000 0.215 518 E C -0.039 176.634 176.600 0.121 0.000 0.946 518 E CA 0.103 56.559 56.400 0.094 0.000 1.038 518 E CB 0.821 30.590 29.700 0.115 0.000 1.069 518 E HN 0.567 nan 8.360 nan 0.000 0.503 519 C N 0.730 120.046 119.300 0.027 0.000 2.782 519 C HA 0.665 5.125 4.460 0.000 0.000 0.328 519 C C -1.321 173.595 174.990 -0.123 0.000 1.145 519 C CA -0.586 58.343 59.018 -0.147 0.000 1.358 519 C CB 0.386 28.040 27.740 -0.143 0.000 1.841 519 C HN 0.114 nan 8.230 nan 0.000 0.477 520 M N 5.152 124.657 119.600 -0.157 0.000 2.395 520 M HA 0.629 5.109 4.480 0.000 0.000 0.307 520 M C -1.106 175.245 176.300 0.085 0.000 1.091 520 M CA -0.594 54.727 55.300 0.035 0.000 0.919 520 M CB 2.155 34.889 32.600 0.223 0.000 1.662 520 M HN 0.393 nan 8.290 nan 0.000 0.440 521 V N 1.267 121.207 119.914 0.042 0.000 2.531 521 V HA 0.770 4.890 4.120 0.000 0.000 0.301 521 V C -0.387 175.661 176.094 -0.076 0.000 1.034 521 V CA -0.430 61.873 62.300 0.005 0.000 0.865 521 V CB 2.025 33.831 31.823 -0.029 0.000 0.995 521 V HN 0.948 nan 8.190 nan 0.000 0.424 522 T N 2.171 116.638 114.554 -0.145 0.000 2.843 522 T HA 0.426 4.776 4.350 0.000 0.000 0.302 522 T C -1.156 173.443 174.700 -0.169 0.000 1.232 522 T CA -0.544 61.409 62.100 -0.244 0.000 1.009 522 T CB 1.815 70.363 68.868 -0.534 0.000 1.254 522 T HN 0.699 nan 8.240 nan 0.000 0.504 523 D N 1.458 121.772 120.400 -0.144 0.000 2.382 523 D HA 0.340 4.980 4.640 0.000 0.000 0.240 523 D C -0.124 176.123 176.300 -0.087 0.000 1.146 523 D CA -0.168 53.778 54.000 -0.090 0.000 0.897 523 D CB 0.357 41.113 40.800 -0.074 0.000 1.197 523 D HN 0.191 nan 8.370 nan 0.000 0.432 524 L N 3.600 124.798 121.223 -0.043 0.000 2.416 524 L HA 0.165 4.505 4.340 0.000 0.000 0.272 524 L C -1.178 175.675 176.870 -0.028 0.000 1.161 524 L CA -1.352 53.476 54.840 -0.020 0.000 0.845 524 L CB 0.498 42.557 42.059 0.000 0.000 1.119 524 L HN 0.415 nan 8.230 nan 0.000 0.464 525 P HA -0.137 nan 4.420 nan 0.000 0.229 525 P C -0.044 177.247 177.300 -0.014 0.000 1.150 525 P CA 1.037 64.124 63.100 -0.022 0.000 0.765 525 P CB 0.156 31.852 31.700 -0.007 0.000 0.783 526 K N 0.000 120.395 120.400 -0.008 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543