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 2c7e_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL 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 -0.013 0.000 0.831 3 A N 1.030 123.850 122.820 -0.000 0.000 2.540 3 A HA 0.522 4.843 4.320 0.001 0.000 0.239 3 A C 0.197 177.784 177.584 0.005 0.000 1.061 3 A CA 0.396 52.437 52.037 0.007 0.000 0.758 3 A CB -0.129 18.878 19.000 0.012 0.000 0.991 3 A HN 0.585 nan 8.150 nan 0.000 0.502 4 K N 1.401 121.809 120.400 0.015 0.000 2.166 4 K HA 0.428 4.749 4.320 0.001 0.000 0.245 4 K C -1.058 175.572 176.600 0.050 0.000 0.967 4 K CA -0.689 55.607 56.287 0.015 0.000 0.863 4 K CB 1.525 34.032 32.500 0.012 0.000 1.107 4 K HN 0.747 nan 8.250 nan 0.000 0.436 5 D N 0.922 121.365 120.400 0.072 0.000 2.217 5 D HA 0.385 5.025 4.640 0.001 0.000 0.243 5 D C -1.283 175.174 176.300 0.263 0.000 1.054 5 D CA -0.591 53.519 54.000 0.184 0.000 0.838 5 D CB 1.428 42.388 40.800 0.265 0.000 1.162 5 D HN 0.038 nan 8.370 nan 0.000 0.472 6 V N 4.058 124.089 119.914 0.195 0.000 2.531 6 V HA 0.443 4.563 4.120 0.001 0.000 0.301 6 V C -0.040 176.006 176.094 -0.080 0.000 1.034 6 V CA -0.795 61.541 62.300 0.060 0.000 0.865 6 V CB 1.912 33.742 31.823 0.011 0.000 0.995 6 V HN 0.396 nan 8.190 nan 0.000 0.424 7 K N 3.683 123.913 120.400 -0.283 0.000 2.318 7 K HA 0.768 5.089 4.320 0.001 0.000 0.249 7 K C -1.596 174.713 176.600 -0.485 0.000 0.942 7 K CA -0.503 55.564 56.287 -0.368 0.000 0.808 7 K CB 2.525 34.623 32.500 -0.670 0.000 1.189 7 K HN 0.456 nan 8.250 nan 0.000 0.428 8 F N -0.023 119.873 119.950 -0.089 0.000 2.579 8 F HA 0.397 4.924 4.527 0.001 0.000 0.324 8 F C 1.318 177.085 175.800 -0.054 0.000 1.058 8 F CA -0.055 57.915 58.000 -0.049 0.000 0.944 8 F CB 1.676 40.657 39.000 -0.031 0.000 1.245 8 F HN 0.818 nan 8.300 nan 0.000 0.477 9 G N 1.944 110.841 108.800 0.161 0.000 2.684 9 G HA2 -0.437 3.523 3.960 0.001 0.000 0.342 9 G HA3 -0.437 3.523 3.960 0.001 0.000 0.342 9 G C 1.313 176.230 174.900 0.028 0.000 1.316 9 G CA 0.953 46.101 45.100 0.080 0.000 0.994 9 G HN 0.714 nan 8.290 nan 0.000 0.541 10 N N 0.819 119.531 118.700 0.020 0.000 2.069 10 N HA -0.170 4.571 4.740 0.001 0.000 0.196 10 N C 1.794 177.290 175.510 -0.024 0.000 1.024 10 N CA 2.137 55.187 53.050 -0.001 0.000 0.869 10 N CB -0.435 38.052 38.487 -0.000 0.000 1.035 10 N HN 0.549 nan 8.380 nan 0.000 0.434 11 D N 0.402 120.782 120.400 -0.033 0.000 2.123 11 D HA -0.100 4.541 4.640 0.001 0.000 0.196 11 D C 1.823 178.035 176.300 -0.147 0.000 0.992 11 D CA 1.248 55.195 54.000 -0.087 0.000 0.833 11 D CB -0.378 40.364 40.800 -0.098 0.000 0.954 11 D HN 0.325 nan 8.370 nan 0.000 0.455 12 A N 0.501 123.239 122.820 -0.137 0.000 1.897 12 A HA 0.059 4.380 4.320 0.001 0.000 0.215 12 A C 2.375 179.923 177.584 -0.060 0.000 1.181 12 A CA 1.909 53.858 52.037 -0.147 0.000 0.620 12 A CB -1.049 17.884 19.000 -0.112 0.000 0.821 12 A HN 0.292 nan 8.150 nan 0.000 0.443 13 G N 0.144 108.924 108.800 -0.033 0.000 2.446 13 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 13 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 13 G C 1.653 176.547 174.900 -0.009 0.000 1.168 13 G CA 2.206 47.299 45.100 -0.011 0.000 0.771 13 G HN 1.034 nan 8.290 nan 0.000 0.551 14 V N -1.260 118.642 119.914 -0.019 0.000 2.490 14 V HA -0.053 4.068 4.120 0.001 0.000 0.250 14 V C 2.516 178.607 176.094 -0.005 0.000 1.061 14 V CA 2.091 64.384 62.300 -0.013 0.000 1.064 14 V CB -0.470 31.341 31.823 -0.018 0.000 0.670 14 V HN 0.088 nan 8.190 nan 0.000 0.461 15 K N 0.155 120.546 120.400 -0.014 0.000 2.025 15 K HA 0.019 4.340 4.320 0.001 0.000 0.207 15 K C 2.249 178.879 176.600 0.048 0.000 1.049 15 K CA 2.058 58.360 56.287 0.024 0.000 0.933 15 K CB -0.611 31.910 32.500 0.034 0.000 0.714 15 K HN 0.516 nan 8.250 nan 0.000 0.438 16 M N 0.361 119.987 119.600 0.042 0.000 2.080 16 M HA -0.199 4.282 4.480 0.001 0.000 0.260 16 M C 2.232 178.548 176.300 0.028 0.000 1.068 16 M CA 1.232 56.557 55.300 0.042 0.000 1.109 16 M CB -0.372 32.248 32.600 0.034 0.000 1.342 16 M HN 0.027 nan 8.290 nan 0.000 0.405 17 L N 0.504 121.739 121.223 0.019 0.000 2.042 17 L HA -0.215 4.125 4.340 0.001 0.000 0.210 17 L C 2.470 179.349 176.870 0.014 0.000 1.076 17 L CA 1.937 56.785 54.840 0.014 0.000 0.749 17 L CB -0.696 41.368 42.059 0.009 0.000 0.893 17 L HN 0.164 nan 8.230 nan 0.000 0.432 18 R N -0.139 120.371 120.500 0.017 0.000 2.081 18 R HA -0.048 4.293 4.340 0.001 0.000 0.235 18 R C 2.167 178.478 176.300 0.018 0.000 1.131 18 R CA 1.719 57.828 56.100 0.016 0.000 0.960 18 R CB -1.351 28.960 30.300 0.019 0.000 0.856 18 R HN 0.432 nan 8.270 nan 0.000 0.436 19 G N -0.111 108.704 108.800 0.024 0.000 2.402 19 G HA2 -0.197 3.763 3.960 0.001 0.000 0.216 19 G HA3 -0.197 3.763 3.960 0.001 0.000 0.216 19 G C 1.435 176.344 174.900 0.014 0.000 1.162 19 G CA 0.976 46.089 45.100 0.021 0.000 0.777 19 G HN 0.362 nan 8.290 nan 0.000 0.539 20 V N -0.177 119.745 119.914 0.014 0.000 2.548 20 V HA -0.064 4.057 4.120 0.001 0.000 0.249 20 V C 2.188 178.286 176.094 0.008 0.000 1.055 20 V CA 2.089 64.395 62.300 0.010 0.000 1.065 20 V CB -0.495 31.335 31.823 0.012 0.000 0.681 20 V HN 0.173 nan 8.190 nan 0.000 0.462 21 N N 0.985 119.690 118.700 0.008 0.000 2.142 21 N HA -0.079 4.661 4.740 0.001 0.000 0.186 21 N C 1.827 177.339 175.510 0.004 0.000 1.023 21 N CA 1.807 54.861 53.050 0.006 0.000 0.852 21 N CB -0.573 37.918 38.487 0.006 0.000 0.998 21 N HN 0.493 nan 8.380 nan 0.000 0.424 22 V N 1.597 121.513 119.914 0.004 0.000 2.295 22 V HA -0.190 3.931 4.120 0.001 0.000 0.246 22 V C 2.412 178.506 176.094 -0.001 0.000 1.049 22 V CA 1.205 63.505 62.300 0.002 0.000 1.024 22 V CB -0.593 31.231 31.823 0.002 0.000 0.648 22 V HN 0.212 nan 8.190 nan 0.000 0.447 23 L N 0.682 121.905 121.223 -0.001 0.000 1.994 23 L HA -0.100 4.241 4.340 0.001 0.000 0.208 23 L C 2.461 179.329 176.870 -0.003 0.000 1.071 23 L CA 2.404 57.242 54.840 -0.004 0.000 0.745 23 L CB -0.745 41.311 42.059 -0.004 0.000 0.892 23 L HN 0.208 nan 8.230 nan 0.000 0.431 24 A N -0.689 122.131 122.820 -0.000 0.000 1.902 24 A HA -0.222 4.099 4.320 0.001 0.000 0.217 24 A C 1.963 179.546 177.584 -0.000 0.000 1.181 24 A CA 1.926 53.963 52.037 0.001 0.000 0.623 24 A CB -0.874 18.128 19.000 0.004 0.000 0.818 24 A HN 0.576 nan 8.150 nan 0.000 0.443 25 D N 0.046 120.445 120.400 -0.000 0.000 2.144 25 D HA -0.017 4.624 4.640 0.001 0.000 0.200 25 D C 2.202 178.501 176.300 -0.003 0.000 0.978 25 D CA 1.445 55.445 54.000 -0.001 0.000 0.833 25 D CB -0.403 40.397 40.800 -0.000 0.000 0.961 25 D HN 0.427 nan 8.370 nan 0.000 0.470 26 A N 0.437 123.254 122.820 -0.004 0.000 1.898 26 A HA -0.101 4.219 4.320 0.001 0.000 0.216 26 A C 2.483 180.063 177.584 -0.007 0.000 1.181 26 A CA 1.063 53.096 52.037 -0.006 0.000 0.620 26 A CB -0.590 18.405 19.000 -0.008 0.000 0.819 26 A HN 0.144 nan 8.150 nan 0.000 0.442 27 V N 1.292 121.202 119.914 -0.007 0.000 2.323 27 V HA -0.231 3.890 4.120 0.001 0.000 0.244 27 V C 2.514 178.605 176.094 -0.006 0.000 1.041 27 V CA 2.154 64.449 62.300 -0.008 0.000 1.025 27 V CB -0.685 31.133 31.823 -0.009 0.000 0.656 27 V HN 0.843 nan 8.190 nan 0.000 0.451 28 K N 1.538 121.936 120.400 -0.003 0.000 2.360 28 K HA -0.108 4.213 4.320 0.001 0.000 0.201 28 K C 1.816 178.415 176.600 -0.002 0.000 1.046 28 K CA 1.718 58.005 56.287 -0.002 0.000 0.945 28 K CB -0.636 31.864 32.500 0.001 0.000 0.750 28 K HN 0.497 nan 8.250 nan 0.000 0.464 29 V N -0.044 119.868 119.914 -0.003 0.000 2.970 29 V HA -0.113 4.008 4.120 0.001 0.000 0.260 29 V C 2.043 178.135 176.094 -0.003 0.000 1.100 29 V CA 1.671 63.970 62.300 -0.003 0.000 1.122 29 V CB -0.978 30.843 31.823 -0.003 0.000 0.721 29 V HN 0.532 nan 8.190 nan 0.000 0.483 30 T N -2.037 112.514 114.554 -0.005 0.000 3.144 30 T HA 0.285 4.636 4.350 0.001 0.000 0.249 30 T C 0.442 175.138 174.700 -0.006 0.000 1.089 30 T CA -0.138 61.958 62.100 -0.007 0.000 0.989 30 T CB -0.239 68.623 68.868 -0.010 0.000 0.992 30 T HN 0.383 nan 8.240 nan 0.000 0.540 31 L N 2.601 123.822 121.223 -0.003 0.000 2.360 31 L HA 0.579 4.920 4.340 0.001 0.000 0.276 31 L C 0.772 177.643 176.870 0.000 0.000 1.121 31 L CA 1.477 56.316 54.840 -0.001 0.000 0.845 31 L CB -0.400 41.660 42.059 0.002 0.000 1.143 31 L HN 0.652 nan 8.230 nan 0.000 0.452 32 G N 4.600 113.398 108.800 -0.002 0.000 2.796 32 G HA2 -0.180 3.781 3.960 0.001 0.000 0.571 32 G HA3 -0.180 3.781 3.960 0.001 0.000 0.571 32 G C -1.827 173.067 174.900 -0.009 0.000 1.370 32 G CA -0.291 44.807 45.100 -0.004 0.000 0.856 32 G HN 0.615 nan 8.290 nan 0.000 0.538 33 P HA -0.029 nan 4.420 nan 0.000 0.219 33 P C 0.901 178.191 177.300 -0.016 0.000 1.146 33 P CA 1.344 64.431 63.100 -0.021 0.000 0.808 33 P CB 0.095 31.773 31.700 -0.037 0.000 0.779 34 K N 0.241 120.636 120.400 -0.009 0.000 2.576 34 K HA 0.256 4.577 4.320 0.001 0.000 0.209 34 K C 1.022 177.621 176.600 -0.002 0.000 1.049 34 K CA -0.240 56.045 56.287 -0.004 0.000 1.140 34 K CB 0.168 32.670 32.500 0.004 0.000 0.871 34 K HN 0.058 nan 8.250 nan 0.000 0.479 35 G N 1.616 110.414 108.800 -0.004 0.000 2.484 35 G HA2 0.006 3.967 3.960 0.001 0.000 0.235 35 G HA3 0.006 3.967 3.960 0.001 0.000 0.235 35 G C 0.174 175.072 174.900 -0.004 0.000 1.282 35 G CA -0.280 44.818 45.100 -0.004 0.000 0.857 35 G HN 0.080 nan 8.290 nan 0.000 0.571 36 R N 0.992 121.490 120.500 -0.004 0.000 2.553 36 R HA 0.223 4.563 4.340 0.001 0.000 0.263 36 R C 0.111 176.407 176.300 -0.006 0.000 1.066 36 R CA -0.778 55.320 56.100 -0.004 0.000 1.135 36 R CB 0.560 30.858 30.300 -0.003 0.000 1.148 36 R HN 0.653 nan 8.270 nan 0.000 0.558 37 N N -0.847 117.850 118.700 -0.006 0.000 2.524 37 N HA 0.301 5.042 4.740 0.001 0.000 0.283 37 N C -0.944 174.562 175.510 -0.007 0.000 1.142 37 N CA -0.361 52.685 53.050 -0.007 0.000 0.984 37 N CB 1.207 39.691 38.487 -0.006 0.000 1.155 37 N HN 0.083 nan 8.380 nan 0.000 0.467 38 V N 1.868 121.777 119.914 -0.008 0.000 2.588 38 V HA 0.327 4.448 4.120 0.001 0.000 0.304 38 V C -0.457 175.631 176.094 -0.010 0.000 1.042 38 V CA -0.811 61.484 62.300 -0.009 0.000 0.877 38 V CB 1.841 33.657 31.823 -0.011 0.000 0.996 38 V HN 0.323 nan 8.190 nan 0.000 0.425 39 V N 6.423 126.331 119.914 -0.010 0.000 2.383 39 V HA 0.459 4.580 4.120 0.001 0.000 0.275 39 V C -0.182 175.904 176.094 -0.013 0.000 1.036 39 V CA -0.389 61.905 62.300 -0.010 0.000 0.889 39 V CB 1.358 33.176 31.823 -0.009 0.000 0.985 39 V HN 0.620 nan 8.190 nan 0.000 0.459 40 L N 3.867 125.081 121.223 -0.014 0.000 2.305 40 L HA 0.518 4.859 4.340 0.001 0.000 0.284 40 L C -0.051 176.806 176.870 -0.021 0.000 1.013 40 L CA -0.630 54.199 54.840 -0.018 0.000 0.819 40 L CB 1.520 43.568 42.059 -0.019 0.000 1.227 40 L HN 0.491 nan 8.230 nan 0.000 0.417 41 D N 3.294 123.677 120.400 -0.027 0.000 2.399 41 D HA 0.188 4.829 4.640 0.001 0.000 0.241 41 D C -0.405 175.867 176.300 -0.046 0.000 1.133 41 D CA 0.386 54.365 54.000 -0.035 0.000 0.890 41 D CB 0.981 41.756 40.800 -0.041 0.000 1.201 41 D HN 0.359 nan 8.370 nan 0.000 0.432 42 K N 0.232 120.601 120.400 -0.052 0.000 2.328 42 K HA 0.219 4.540 4.320 0.001 0.000 0.246 42 K C 1.065 177.580 176.600 -0.140 0.000 0.955 42 K CA -0.580 55.666 56.287 -0.068 0.000 0.817 42 K CB 1.672 34.158 32.500 -0.022 0.000 1.208 42 K HN 0.387 nan 8.250 nan 0.000 0.432 43 S N 0.884 116.430 115.700 -0.257 0.000 2.423 43 S HA 0.003 4.474 4.470 0.001 0.000 0.231 43 S C 0.316 174.473 174.600 -0.738 0.000 1.014 43 S CA 0.684 58.550 58.200 -0.557 0.000 0.965 43 S CB -0.147 62.574 63.200 -0.798 0.000 0.785 43 S HN 0.371 nan 8.310 nan 0.000 0.495 44 F N 1.106 121.052 119.950 -0.006 0.000 2.556 44 F HA 0.699 5.227 4.527 0.001 0.000 0.314 44 F C 0.933 176.730 175.800 -0.005 0.000 1.106 44 F CA -0.336 57.660 58.000 -0.005 0.000 0.911 44 F CB 1.499 40.496 39.000 -0.005 0.000 1.190 44 F HN 0.398 nan 8.300 nan 0.000 0.448 45 G N 1.029 109.945 108.800 0.194 0.000 2.632 45 G HA2 0.267 4.228 3.960 0.001 0.000 0.224 45 G HA3 0.267 4.228 3.960 0.001 0.000 0.224 45 G C -0.632 174.303 174.900 0.058 0.000 1.341 45 G CA -0.536 44.626 45.100 0.102 0.000 0.880 45 G HN 1.244 nan 8.290 nan 0.000 0.566 46 A N 0.774 123.618 122.820 0.039 0.000 2.351 46 A HA 0.749 5.069 4.320 0.001 0.000 0.257 46 A C -1.328 176.264 177.584 0.014 0.000 1.087 46 A CA -0.118 51.932 52.037 0.022 0.000 0.798 46 A CB -0.129 18.881 19.000 0.017 0.000 1.033 46 A HN 0.731 nan 8.150 nan 0.000 0.488 47 P HA 0.237 nan 4.420 nan 0.000 0.271 47 P C -0.207 177.092 177.300 -0.001 0.000 1.233 47 P CA 0.032 63.130 63.100 -0.003 0.000 0.789 47 P CB 0.378 32.073 31.700 -0.007 0.000 0.951 48 T N 1.701 116.252 114.554 -0.005 0.000 2.845 48 T HA 0.471 4.822 4.350 0.001 0.000 0.288 48 T C 0.244 174.940 174.700 -0.007 0.000 0.980 48 T CA -0.122 61.975 62.100 -0.005 0.000 1.071 48 T CB 0.012 68.876 68.868 -0.007 0.000 0.941 48 T HN 0.174 nan 8.240 nan 0.000 0.487 49 I N 2.579 123.146 120.570 -0.006 0.000 2.382 49 I HA 0.451 4.621 4.170 0.001 0.000 0.286 49 I C 0.242 176.354 176.117 -0.008 0.000 1.002 49 I CA -0.496 60.800 61.300 -0.006 0.000 1.135 49 I CB 1.864 39.861 38.000 -0.005 0.000 1.288 49 I HN 0.525 nan 8.210 nan 0.000 0.448 50 T N 4.523 119.072 114.554 -0.010 0.000 2.883 50 T HA 0.431 4.782 4.350 0.001 0.000 0.301 50 T C -0.106 174.587 174.700 -0.012 0.000 1.158 50 T CA -0.539 61.555 62.100 -0.011 0.000 1.007 50 T CB 1.789 70.648 68.868 -0.014 0.000 1.186 50 T HN 0.651 nan 8.240 nan 0.000 0.499 51 K N 1.525 121.917 120.400 -0.013 0.000 2.506 51 K HA 0.213 4.534 4.320 0.001 0.000 0.204 51 K C -0.795 175.796 176.600 -0.016 0.000 1.045 51 K CA -0.259 56.021 56.287 -0.012 0.000 1.074 51 K CB 0.579 33.072 32.500 -0.011 0.000 0.842 51 K HN 0.481 nan 8.250 nan 0.000 0.514 52 D N -0.118 120.271 120.400 -0.019 0.000 2.317 52 D HA 0.151 4.792 4.640 0.001 0.000 0.234 52 D C 1.222 177.507 176.300 -0.025 0.000 1.112 52 D CA -0.179 53.806 54.000 -0.024 0.000 0.840 52 D CB 1.379 42.163 40.800 -0.028 0.000 1.078 52 D HN 0.147 nan 8.370 nan 0.000 0.486 53 G N 2.412 111.196 108.800 -0.026 0.000 2.446 53 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 53 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 53 G C 1.525 176.408 174.900 -0.029 0.000 1.168 53 G CA 0.820 45.906 45.100 -0.024 0.000 0.771 53 G HN 0.486 nan 8.290 nan 0.000 0.551 54 V N 1.132 121.023 119.914 -0.038 0.000 2.332 54 V HA -0.215 3.906 4.120 0.001 0.000 0.248 54 V C 3.125 179.198 176.094 -0.036 0.000 1.055 54 V CA 2.285 64.560 62.300 -0.042 0.000 1.038 54 V CB -0.701 31.089 31.823 -0.055 0.000 0.651 54 V HN 0.374 nan 8.190 nan 0.000 0.450 55 S N -0.254 115.427 115.700 -0.033 0.000 2.383 55 S HA -0.171 4.300 4.470 0.001 0.000 0.229 55 S C 1.959 176.544 174.600 -0.024 0.000 1.030 55 S CA 1.571 59.754 58.200 -0.028 0.000 1.002 55 S CB -0.224 62.962 63.200 -0.024 0.000 0.829 55 S HN 0.416 nan 8.310 nan 0.000 0.467 56 V N 1.772 121.672 119.914 -0.023 0.000 2.323 56 V HA -0.125 3.996 4.120 0.001 0.000 0.244 56 V C 2.656 178.737 176.094 -0.021 0.000 1.041 56 V CA 1.525 63.813 62.300 -0.020 0.000 1.025 56 V CB -1.256 30.557 31.823 -0.018 0.000 0.656 56 V HN 0.525 nan 8.190 nan 0.000 0.451 57 A N 0.162 122.968 122.820 -0.023 0.000 1.917 57 A HA -0.271 4.050 4.320 0.001 0.000 0.219 57 A C 2.351 179.920 177.584 -0.026 0.000 1.182 57 A CA 2.007 54.030 52.037 -0.024 0.000 0.633 57 A CB -0.591 18.393 19.000 -0.027 0.000 0.819 57 A HN 0.495 nan 8.150 nan 0.000 0.448 58 R N -0.533 119.951 120.500 -0.028 0.000 2.139 58 R HA -0.127 4.213 4.340 0.001 0.000 0.243 58 R C 1.480 177.764 176.300 -0.026 0.000 1.145 58 R CA 1.358 57.441 56.100 -0.028 0.000 0.976 58 R CB -0.221 30.062 30.300 -0.028 0.000 0.866 58 R HN 0.529 nan 8.270 nan 0.000 0.449 59 E N 0.226 120.411 120.200 -0.025 0.000 2.435 59 E HA 0.022 4.373 4.350 0.001 0.000 0.195 59 E C 0.438 177.024 176.600 -0.024 0.000 1.029 59 E CA 0.236 56.621 56.400 -0.025 0.000 0.865 59 E CB 0.237 29.922 29.700 -0.024 0.000 0.833 59 E HN 0.168 nan 8.360 nan 0.000 0.510 60 I N 2.206 122.763 120.570 -0.022 0.000 2.436 60 I HA 0.136 4.307 4.170 0.001 0.000 0.289 60 I C 0.362 176.466 176.117 -0.021 0.000 1.083 60 I CA 0.229 61.517 61.300 -0.020 0.000 1.372 60 I CB -0.074 37.916 38.000 -0.016 0.000 1.408 60 I HN -0.052 nan 8.210 nan 0.000 0.516 61 E N 7.056 127.243 120.200 -0.021 0.000 2.304 61 E HA 0.562 4.913 4.350 0.001 0.000 0.277 61 E C -1.696 174.892 176.600 -0.020 0.000 0.898 61 E CA -0.607 55.779 56.400 -0.023 0.000 0.764 61 E CB 2.146 31.830 29.700 -0.027 0.000 1.216 61 E HN 0.445 nan 8.360 nan 0.000 0.419 62 L N 3.100 124.312 121.223 -0.019 0.000 2.322 62 L HA 0.410 4.751 4.340 0.001 0.000 0.269 62 L C 1.405 178.265 176.870 -0.016 0.000 1.012 62 L CA -0.588 54.244 54.840 -0.013 0.000 0.815 62 L CB 1.609 43.666 42.059 -0.003 0.000 1.295 62 L HN 0.750 nan 8.230 nan 0.000 0.438 63 E N 0.584 120.779 120.200 -0.010 0.000 2.028 63 E HA -0.166 4.185 4.350 0.001 0.000 0.190 63 E C 0.500 177.095 176.600 -0.008 0.000 0.984 63 E CA 0.518 56.912 56.400 -0.011 0.000 0.800 63 E CB 0.232 29.929 29.700 -0.005 0.000 0.758 63 E HN 0.670 nan 8.360 nan 0.000 0.448 64 D N 0.773 121.180 120.400 0.012 0.000 2.434 64 D HA -0.083 4.557 4.640 0.001 0.000 0.252 64 D C 0.693 176.997 176.300 0.006 0.000 1.185 64 D CA 0.106 54.128 54.000 0.037 0.000 0.886 64 D CB 0.876 41.719 40.800 0.073 0.000 1.148 64 D HN 0.063 nan 8.370 nan 0.000 0.483 65 K N 3.647 124.013 120.400 -0.057 0.000 2.113 65 K HA -0.180 4.140 4.320 0.001 0.000 0.208 65 K C 1.908 178.353 176.600 -0.259 0.000 1.047 65 K CA 1.229 57.392 56.287 -0.207 0.000 0.928 65 K CB -0.321 31.958 32.500 -0.368 0.000 0.716 65 K HN 0.501 nan 8.250 nan 0.000 0.446 66 F N 1.674 121.611 119.950 -0.022 0.000 2.163 66 F HA -0.050 4.477 4.527 0.000 0.000 0.297 66 F C 2.399 178.186 175.800 -0.021 0.000 1.094 66 F CA 1.008 58.993 58.000 -0.025 0.000 1.290 66 F CB -0.401 38.583 39.000 -0.026 0.000 1.017 66 F HN 0.091 nan 8.300 nan 0.000 0.483 67 E N -0.008 120.287 120.200 0.158 0.000 2.110 67 E HA -0.257 4.094 4.350 0.001 0.000 0.193 67 E C 1.791 178.413 176.600 0.037 0.000 0.988 67 E CA 1.327 57.776 56.400 0.082 0.000 0.804 67 E CB -0.376 29.360 29.700 0.060 0.000 0.745 67 E HN 0.308 nan 8.360 nan 0.000 0.458 68 N N 0.682 119.388 118.700 0.010 0.000 2.166 68 N HA -0.150 4.590 4.740 0.001 0.000 0.186 68 N C 1.722 177.220 175.510 -0.019 0.000 1.019 68 N CA 1.214 54.255 53.050 -0.016 0.000 0.856 68 N CB 0.012 38.475 38.487 -0.041 0.000 0.993 68 N HN 0.085 nan 8.380 nan 0.000 0.426 69 M N -0.843 118.743 119.600 -0.023 0.000 2.117 69 M HA -0.036 4.445 4.480 0.001 0.000 0.262 69 M C 2.171 178.475 176.300 0.007 0.000 1.065 69 M CA 1.687 56.976 55.300 -0.019 0.000 1.114 69 M CB -0.557 32.030 32.600 -0.021 0.000 1.361 69 M HN 0.318 nan 8.290 nan 0.000 0.408 70 G N -0.210 108.606 108.800 0.028 0.000 2.422 70 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 70 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 70 G C 1.606 176.514 174.900 0.013 0.000 1.146 70 G CA 0.976 46.091 45.100 0.026 0.000 0.769 70 G HN 0.542 nan 8.290 nan 0.000 0.547 71 A N 0.081 122.906 122.820 0.007 0.000 1.898 71 A HA -0.030 4.291 4.320 0.001 0.000 0.216 71 A C 2.396 179.976 177.584 -0.007 0.000 1.181 71 A CA 1.814 53.851 52.037 -0.000 0.000 0.620 71 A CB -0.306 18.692 19.000 -0.003 0.000 0.819 71 A HN 0.294 nan 8.150 nan 0.000 0.442 72 Q N -0.555 119.238 119.800 -0.011 0.000 2.224 72 Q HA -0.050 4.291 4.340 0.001 0.000 0.203 72 Q C 2.069 178.061 176.000 -0.013 0.000 0.970 72 Q CA 1.299 57.092 55.803 -0.017 0.000 0.865 72 Q CB -0.517 28.206 28.738 -0.024 0.000 0.922 72 Q HN 0.778 nan 8.270 nan 0.000 0.445 73 M N -0.589 119.008 119.600 -0.006 0.000 2.098 73 M HA -0.101 4.380 4.480 0.001 0.000 0.262 73 M C 2.232 178.533 176.300 0.002 0.000 1.072 73 M CA 1.073 56.373 55.300 -0.000 0.000 1.133 73 M CB -0.410 32.195 32.600 0.007 0.000 1.344 73 M HN 0.052 nan 8.290 nan 0.000 0.414 74 V N 0.359 120.276 119.914 0.004 0.000 2.759 74 V HA -0.214 3.907 4.120 0.001 0.000 0.256 74 V C 2.042 178.135 176.094 -0.003 0.000 1.080 74 V CA 1.779 64.083 62.300 0.007 0.000 1.101 74 V CB -0.477 31.352 31.823 0.010 0.000 0.698 74 V HN 0.407 nan 8.190 nan 0.000 0.477 75 K N -0.299 120.094 120.400 -0.011 0.000 2.211 75 K HA -0.152 4.169 4.320 0.001 0.000 0.204 75 K C 2.040 178.619 176.600 -0.034 0.000 1.047 75 K CA 1.391 57.665 56.287 -0.022 0.000 0.935 75 K CB -0.032 32.454 32.500 -0.024 0.000 0.728 75 K HN 0.452 nan 8.250 nan 0.000 0.452 76 E N 0.058 120.240 120.200 -0.030 0.000 2.204 76 E HA -0.134 4.216 4.350 0.001 0.000 0.194 76 E C 1.885 178.444 176.600 -0.070 0.000 0.989 76 E CA 0.685 57.057 56.400 -0.046 0.000 0.824 76 E CB 0.011 29.696 29.700 -0.025 0.000 0.756 76 E HN 0.111 nan 8.360 nan 0.000 0.477 77 V N 1.478 121.373 119.914 -0.031 0.000 2.237 77 V HA -0.272 3.849 4.120 0.001 0.000 0.245 77 V C 2.470 178.522 176.094 -0.070 0.000 1.046 77 V CA 1.941 64.232 62.300 -0.014 0.000 1.007 77 V CB -0.914 30.930 31.823 0.035 0.000 0.638 77 V HN 0.255 nan 8.190 nan 0.000 0.445 78 A N 0.862 123.651 122.820 -0.052 0.000 1.865 78 A HA -0.255 4.066 4.320 0.001 0.000 0.217 78 A C 2.563 180.083 177.584 -0.106 0.000 1.191 78 A CA 2.771 54.771 52.037 -0.061 0.000 0.623 78 A CB -1.011 17.963 19.000 -0.044 0.000 0.826 78 A HN 0.706 nan 8.150 nan 0.000 0.444 79 S N 0.089 115.721 115.700 -0.113 0.000 2.370 79 S HA -0.224 4.247 4.470 0.001 0.000 0.226 79 S C 1.849 176.327 174.600 -0.203 0.000 1.033 79 S CA 1.643 59.766 58.200 -0.127 0.000 1.011 79 S CB -0.404 62.736 63.200 -0.100 0.000 0.852 79 S HN 0.631 nan 8.310 nan 0.000 0.457 80 K N 1.622 121.819 120.400 -0.338 0.000 2.062 80 K HA 0.185 4.506 4.320 0.001 0.000 0.205 80 K C 2.608 178.784 176.600 -0.707 0.000 1.051 80 K CA 1.005 56.908 56.287 -0.639 0.000 0.941 80 K CB -0.512 31.332 32.500 -1.093 0.000 0.719 80 K HN 0.469 nan 8.250 nan 0.000 0.440 81 A N 1.858 124.374 122.820 -0.507 0.000 1.933 81 A HA -0.226 4.094 4.320 0.001 0.000 0.218 81 A C 1.956 179.503 177.584 -0.062 0.000 1.175 81 A CA 1.865 53.823 52.037 -0.132 0.000 0.628 81 A CB -0.614 18.398 19.000 0.020 0.000 0.814 81 A HN 0.258 nan 8.150 nan 0.000 0.444 82 N N 0.421 119.063 118.700 -0.098 0.000 2.058 82 N HA -0.147 4.593 4.740 0.001 0.000 0.191 82 N C 1.186 176.680 175.510 -0.026 0.000 1.037 82 N CA 1.836 54.849 53.050 -0.063 0.000 0.848 82 N CB -0.355 38.081 38.487 -0.086 0.000 1.021 82 N HN 0.384 nan 8.380 nan 0.000 0.422 83 D N -0.179 120.183 120.400 -0.063 0.000 2.149 83 D HA -0.097 4.544 4.640 0.001 0.000 0.198 83 D C 1.617 177.928 176.300 0.019 0.000 0.990 83 D CA 1.369 55.355 54.000 -0.024 0.000 0.839 83 D CB -0.408 40.356 40.800 -0.060 0.000 0.948 83 D HN 0.437 nan 8.370 nan 0.000 0.460 84 A N 0.083 122.914 122.820 0.018 0.000 1.935 84 A HA 0.292 4.613 4.320 0.001 0.000 0.214 84 A C 2.014 179.661 177.584 0.106 0.000 1.178 84 A CA 1.664 53.758 52.037 0.095 0.000 0.640 84 A CB 0.080 19.211 19.000 0.219 0.000 0.825 84 A HN 0.232 nan 8.150 nan 0.000 0.447 85 A N -2.874 120.017 122.820 0.118 0.000 2.427 85 A HA 0.467 4.787 4.320 0.001 0.000 0.225 85 A C 1.622 179.366 177.584 0.267 0.000 1.257 85 A CA 1.064 53.183 52.037 0.137 0.000 0.985 85 A CB -0.292 18.779 19.000 0.118 0.000 1.136 85 A HN 1.827 nan 8.150 nan 0.000 0.538 86 G N -0.343 108.619 108.800 0.270 0.000 2.179 86 G HA2 -0.155 3.806 3.960 0.001 0.000 0.257 86 G HA3 -0.155 3.806 3.960 0.001 0.000 0.257 86 G C -0.205 174.647 174.900 -0.080 0.000 1.010 86 G CA 0.891 46.159 45.100 0.281 0.000 0.736 86 G HN 0.899 nan 8.290 nan 0.000 0.513 87 D N -2.922 117.494 120.400 0.028 0.000 2.742 87 D HA 0.559 5.200 4.640 0.001 0.000 0.262 87 D C 0.795 177.108 176.300 0.021 0.000 1.240 87 D CA 1.305 55.306 54.000 0.002 0.000 0.752 87 D CB 0.192 41.036 40.800 0.072 0.000 1.290 87 D HN 1.410 nan 8.370 nan 0.000 0.420 88 G N 0.408 109.214 108.800 0.010 0.000 2.136 88 G HA2 -0.297 3.663 3.960 0.001 0.000 0.242 88 G HA3 -0.297 3.663 3.960 0.001 0.000 0.242 88 G C 0.997 175.906 174.900 0.015 0.000 0.989 88 G CA 1.710 46.822 45.100 0.020 0.000 0.682 88 G HN 1.003 nan 8.290 nan 0.000 0.522 89 T N -3.216 111.334 114.554 -0.007 0.000 2.821 89 T HA -0.071 4.280 4.350 0.001 0.000 0.267 89 T C 2.232 176.929 174.700 -0.006 0.000 1.046 89 T CA 2.478 64.570 62.100 -0.013 0.000 1.139 89 T CB -0.454 68.392 68.868 -0.037 0.000 0.871 89 T HN 0.304 nan 8.240 nan 0.000 0.454 90 T N 1.845 116.395 114.554 -0.007 0.000 2.777 90 T HA -0.057 4.294 4.350 0.001 0.000 0.266 90 T C 2.236 176.939 174.700 0.006 0.000 1.040 90 T CA 1.733 63.831 62.100 -0.003 0.000 1.141 90 T CB -0.906 67.959 68.868 -0.006 0.000 0.868 90 T HN 0.482 nan 8.240 nan 0.000 0.444 91 T N 2.135 116.695 114.554 0.011 0.000 2.684 91 T HA -0.070 4.281 4.350 0.001 0.000 0.267 91 T C 2.397 177.111 174.700 0.024 0.000 1.036 91 T CA 1.256 63.366 62.100 0.017 0.000 1.148 91 T CB -0.565 68.316 68.868 0.021 0.000 0.863 91 T HN 0.433 nan 8.240 nan 0.000 0.436 92 A N 1.121 123.960 122.820 0.032 0.000 1.933 92 A HA -0.125 4.196 4.320 0.001 0.000 0.218 92 A C 2.538 180.143 177.584 0.035 0.000 1.175 92 A CA 2.046 54.111 52.037 0.046 0.000 0.628 92 A CB -1.138 17.901 19.000 0.064 0.000 0.814 92 A HN 0.485 nan 8.150 nan 0.000 0.444 93 T N -0.483 114.083 114.554 0.020 0.000 2.821 93 T HA -0.092 4.259 4.350 0.001 0.000 0.267 93 T C 1.943 176.651 174.700 0.014 0.000 1.046 93 T CA 1.639 63.748 62.100 0.014 0.000 1.139 93 T CB -0.467 68.404 68.868 0.004 0.000 0.871 93 T HN 0.617 nan 8.240 nan 0.000 0.454 94 V N 0.250 120.172 119.914 0.014 0.000 2.719 94 V HA 0.090 4.211 4.120 0.001 0.000 0.252 94 V C 2.071 178.174 176.094 0.015 0.000 1.065 94 V CA 1.145 63.452 62.300 0.012 0.000 1.086 94 V CB -0.819 31.010 31.823 0.010 0.000 0.700 94 V HN 0.440 nan 8.190 nan 0.000 0.467 95 L N 0.676 121.911 121.223 0.020 0.000 2.027 95 L HA 0.021 4.362 4.340 0.001 0.000 0.206 95 L C 3.058 179.941 176.870 0.022 0.000 1.074 95 L CA 1.662 56.515 54.840 0.021 0.000 0.745 95 L CB -0.900 41.175 42.059 0.026 0.000 0.898 95 L HN 0.434 nan 8.230 nan 0.000 0.433 96 A N -0.431 122.405 122.820 0.026 0.000 1.883 96 A HA -0.309 4.012 4.320 0.001 0.000 0.217 96 A C 2.258 179.854 177.584 0.019 0.000 1.186 96 A CA 2.033 54.086 52.037 0.026 0.000 0.624 96 A CB -0.701 18.317 19.000 0.031 0.000 0.822 96 A HN 0.505 nan 8.150 nan 0.000 0.444 97 Q N -0.526 119.284 119.800 0.016 0.000 2.061 97 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 97 Q C 2.203 178.210 176.000 0.012 0.000 0.984 97 Q CA 1.865 57.675 55.803 0.012 0.000 0.846 97 Q CB -0.381 28.363 28.738 0.010 0.000 0.902 97 Q HN 0.595 nan 8.270 nan 0.000 0.421 98 A N 0.818 123.645 122.820 0.012 0.000 1.883 98 A HA -0.186 4.135 4.320 0.001 0.000 0.217 98 A C 2.006 179.596 177.584 0.011 0.000 1.186 98 A CA 1.588 53.631 52.037 0.010 0.000 0.624 98 A CB -0.708 18.298 19.000 0.010 0.000 0.822 98 A HN 0.501 nan 8.150 nan 0.000 0.444 99 I N -0.562 120.016 120.570 0.013 0.000 2.252 99 I HA -0.229 3.942 4.170 0.001 0.000 0.245 99 I C 2.300 178.425 176.117 0.012 0.000 1.102 99 I CA 1.220 62.527 61.300 0.012 0.000 1.385 99 I CB -0.325 37.683 38.000 0.014 0.000 1.064 99 I HN 0.290 nan 8.210 nan 0.000 0.414 100 I N 0.288 120.866 120.570 0.014 0.000 2.179 100 I HA -0.273 3.898 4.170 0.001 0.000 0.242 100 I C 2.574 178.698 176.117 0.011 0.000 1.088 100 I CA 1.518 62.826 61.300 0.013 0.000 1.357 100 I CB -0.564 37.445 38.000 0.015 0.000 1.051 100 I HN 0.223 nan 8.210 nan 0.000 0.409 101 T N 0.231 114.791 114.554 0.010 0.000 2.652 101 T HA -0.173 4.177 4.350 0.001 0.000 0.267 101 T C 1.831 176.535 174.700 0.007 0.000 1.039 101 T CA 1.366 63.471 62.100 0.008 0.000 1.153 101 T CB -0.181 68.692 68.868 0.007 0.000 0.863 101 T HN 0.286 nan 8.240 nan 0.000 0.428 102 E N 0.567 120.771 120.200 0.007 0.000 2.152 102 E HA 0.007 4.357 4.350 0.001 0.000 0.192 102 E C 2.532 179.136 176.600 0.007 0.000 0.983 102 E CA 0.918 57.322 56.400 0.006 0.000 0.818 102 E CB -0.773 28.930 29.700 0.006 0.000 0.758 102 E HN 0.567 nan 8.360 nan 0.000 0.467 103 G N 1.362 110.167 108.800 0.008 0.000 2.421 103 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 103 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 103 G C 1.712 176.617 174.900 0.008 0.000 1.171 103 G CA 0.401 45.505 45.100 0.008 0.000 0.775 103 G HN 0.179 nan 8.290 nan 0.000 0.543 104 L N -0.243 120.985 121.223 0.008 0.000 2.201 104 L HA 0.007 4.348 4.340 0.001 0.000 0.212 104 L C 2.901 179.775 176.870 0.006 0.000 1.105 104 L CA 0.875 55.719 54.840 0.008 0.000 0.775 104 L CB -0.249 41.815 42.059 0.008 0.000 0.913 104 L HN 0.194 nan 8.230 nan 0.000 0.440 105 K N 0.090 120.494 120.400 0.005 0.000 2.057 105 K HA -0.118 4.203 4.320 0.001 0.000 0.206 105 K C 2.229 178.832 176.600 0.004 0.000 1.050 105 K CA 1.254 57.544 56.287 0.004 0.000 0.935 105 K CB -0.104 32.398 32.500 0.004 0.000 0.715 105 K HN 0.265 nan 8.250 nan 0.000 0.439 106 A N 0.733 123.556 122.820 0.005 0.000 1.930 106 A HA -0.106 4.214 4.320 0.001 0.000 0.217 106 A C 2.248 179.835 177.584 0.005 0.000 1.175 106 A CA 1.249 53.289 52.037 0.005 0.000 0.627 106 A CB -0.481 18.522 19.000 0.005 0.000 0.815 106 A HN 0.081 nan 8.150 nan 0.000 0.443 107 V N -0.185 119.733 119.914 0.007 0.000 2.358 107 V HA -0.225 3.896 4.120 0.001 0.000 0.246 107 V C 3.030 179.128 176.094 0.007 0.000 1.047 107 V CA 1.848 64.153 62.300 0.008 0.000 1.035 107 V CB -1.140 30.689 31.823 0.010 0.000 0.658 107 V HN 0.598 nan 8.190 nan 0.000 0.452 108 A N -0.038 122.786 122.820 0.005 0.000 2.019 108 A HA -0.050 4.271 4.320 0.001 0.000 0.219 108 A C 2.275 179.861 177.584 0.003 0.000 1.164 108 A CA 1.752 53.791 52.037 0.004 0.000 0.644 108 A CB -0.573 18.429 19.000 0.002 0.000 0.805 108 A HN 0.583 nan 8.150 nan 0.000 0.449 109 A N -1.955 120.867 122.820 0.003 0.000 2.209 109 A HA 0.383 4.704 4.320 0.001 0.000 0.212 109 A C 1.796 179.382 177.584 0.002 0.000 1.158 109 A CA 1.366 53.404 52.037 0.002 0.000 0.742 109 A CB -0.758 18.243 19.000 0.002 0.000 0.790 109 A HN 1.839 nan 8.150 nan 0.000 0.472 110 G N -2.203 106.599 108.800 0.003 0.000 2.163 110 G HA2 -0.199 3.761 3.960 0.001 0.000 0.213 110 G HA3 -0.199 3.761 3.960 0.001 0.000 0.213 110 G C 0.161 175.064 174.900 0.004 0.000 0.991 110 G CA 0.111 45.213 45.100 0.003 0.000 0.653 110 G HN 0.345 nan 8.290 nan 0.000 0.518 111 M N 0.871 120.474 119.600 0.005 0.000 2.242 111 M HA 0.234 4.715 4.480 0.001 0.000 0.344 111 M C 0.699 177.003 176.300 0.006 0.000 1.140 111 M CA -0.473 54.830 55.300 0.005 0.000 1.160 111 M CB 0.436 33.039 32.600 0.005 0.000 1.491 111 M HN 0.153 nan 8.290 nan 0.000 0.459 112 N N 3.091 121.795 118.700 0.006 0.000 2.427 112 N HA 0.061 4.802 4.740 0.001 0.000 0.269 112 N C -2.069 173.446 175.510 0.009 0.000 1.235 112 N CA -1.159 51.895 53.050 0.008 0.000 0.934 112 N CB 0.990 39.481 38.487 0.007 0.000 1.121 112 N HN 0.299 nan 8.380 nan 0.000 0.480 113 P HA -0.155 nan 4.420 nan 0.000 0.216 113 P C 1.661 178.967 177.300 0.011 0.000 1.153 113 P CA 1.426 64.533 63.100 0.012 0.000 0.858 113 P CB 0.208 31.918 31.700 0.015 0.000 0.789 114 M N -0.974 118.633 119.600 0.011 0.000 2.159 114 M HA -0.128 4.353 4.480 0.001 0.000 0.263 114 M C 1.503 177.807 176.300 0.007 0.000 1.063 114 M CA 1.644 56.950 55.300 0.010 0.000 1.110 114 M CB -1.704 30.902 32.600 0.010 0.000 1.374 114 M HN -0.006 nan 8.290 nan 0.000 0.411 115 D N 0.503 120.907 120.400 0.007 0.000 2.123 115 D HA -0.027 4.614 4.640 0.001 0.000 0.200 115 D C 2.348 178.651 176.300 0.005 0.000 0.976 115 D CA 0.893 54.896 54.000 0.005 0.000 0.831 115 D CB -0.120 40.682 40.800 0.005 0.000 0.974 115 D HN 0.313 nan 8.370 nan 0.000 0.469 116 L N 0.816 122.043 121.223 0.006 0.000 2.012 116 L HA -0.206 4.135 4.340 0.001 0.000 0.210 116 L C 2.540 179.413 176.870 0.006 0.000 1.073 116 L CA 1.307 56.150 54.840 0.006 0.000 0.748 116 L CB -0.352 41.711 42.059 0.007 0.000 0.891 116 L HN -0.007 nan 8.230 nan 0.000 0.431 117 K N 0.294 120.698 120.400 0.007 0.000 2.097 117 K HA -0.232 4.089 4.320 0.001 0.000 0.206 117 K C 2.314 178.916 176.600 0.003 0.000 1.049 117 K CA 1.324 57.615 56.287 0.006 0.000 0.933 117 K CB -0.031 32.474 32.500 0.008 0.000 0.717 117 K HN 0.077 nan 8.250 nan 0.000 0.442 118 R N -0.200 120.301 120.500 0.003 0.000 2.081 118 R HA -0.081 4.260 4.340 0.001 0.000 0.235 118 R C 2.290 178.591 176.300 0.000 0.000 1.131 118 R CA 1.728 57.829 56.100 0.001 0.000 0.960 118 R CB -0.570 29.732 30.300 0.002 0.000 0.856 118 R HN 0.393 nan 8.270 nan 0.000 0.436 119 G N 0.913 109.714 108.800 0.001 0.000 2.421 119 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 119 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 119 G C 1.451 176.352 174.900 0.000 0.000 1.171 119 G CA 0.964 46.065 45.100 0.001 0.000 0.775 119 G HN 0.273 nan 8.290 nan 0.000 0.543 120 I N 0.996 121.567 120.570 0.001 0.000 2.163 120 I HA -0.173 3.998 4.170 0.001 0.000 0.243 120 I C 2.355 178.470 176.117 -0.003 0.000 1.085 120 I CA 1.333 62.633 61.300 0.000 0.000 1.347 120 I CB -0.204 37.798 38.000 0.003 0.000 1.044 120 I HN 0.060 nan 8.210 nan 0.000 0.408 121 D N 0.744 121.141 120.400 -0.004 0.000 2.123 121 D HA -0.219 4.421 4.640 0.001 0.000 0.196 121 D C 2.084 178.378 176.300 -0.010 0.000 0.992 121 D CA 1.253 55.248 54.000 -0.009 0.000 0.833 121 D CB -0.210 40.585 40.800 -0.008 0.000 0.954 121 D HN 0.297 nan 8.370 nan 0.000 0.455 122 K N 0.627 121.023 120.400 -0.006 0.000 2.026 122 K HA -0.098 4.223 4.320 0.001 0.000 0.208 122 K C 2.042 178.638 176.600 -0.006 0.000 1.048 122 K CA 1.274 57.557 56.287 -0.006 0.000 0.929 122 K CB -0.043 32.455 32.500 -0.003 0.000 0.713 122 K HN 0.011 nan 8.250 nan 0.000 0.439 123 A N 0.643 123.460 122.820 -0.004 0.000 1.908 123 A HA -0.125 4.196 4.320 0.001 0.000 0.218 123 A C 2.233 179.813 177.584 -0.006 0.000 1.181 123 A CA 1.751 53.786 52.037 -0.003 0.000 0.627 123 A CB -0.681 18.319 19.000 -0.001 0.000 0.818 123 A HN 0.189 nan 8.150 nan 0.000 0.445 124 V N -0.416 119.492 119.914 -0.010 0.000 2.427 124 V HA -0.212 3.909 4.120 0.001 0.000 0.248 124 V C 2.724 178.806 176.094 -0.019 0.000 1.051 124 V CA 2.399 64.689 62.300 -0.016 0.000 1.048 124 V CB -1.201 30.608 31.823 -0.023 0.000 0.666 124 V HN 0.609 nan 8.190 nan 0.000 0.456 125 T N 0.114 114.657 114.554 -0.019 0.000 2.674 125 T HA -0.172 4.179 4.350 0.001 0.000 0.265 125 T C 1.942 176.633 174.700 -0.014 0.000 1.039 125 T CA 1.822 63.911 62.100 -0.019 0.000 1.150 125 T CB -0.227 68.632 68.868 -0.016 0.000 0.864 125 T HN 0.295 nan 8.240 nan 0.000 0.427 126 V N 1.619 121.527 119.914 -0.009 0.000 2.427 126 V HA -0.117 4.004 4.120 0.001 0.000 0.248 126 V C 2.854 178.945 176.094 -0.005 0.000 1.051 126 V CA 1.513 63.809 62.300 -0.006 0.000 1.048 126 V CB -1.201 30.620 31.823 -0.003 0.000 0.666 126 V HN 0.516 nan 8.190 nan 0.000 0.456 127 A N -0.054 122.763 122.820 -0.005 0.000 1.908 127 A HA -0.166 4.155 4.320 0.001 0.000 0.218 127 A C 2.395 179.977 177.584 -0.004 0.000 1.181 127 A CA 2.122 54.157 52.037 -0.003 0.000 0.627 127 A CB -0.673 18.325 19.000 -0.002 0.000 0.818 127 A HN 0.343 nan 8.150 nan 0.000 0.445 128 V N 0.045 119.953 119.914 -0.011 0.000 2.358 128 V HA -0.267 3.854 4.120 0.001 0.000 0.246 128 V C 2.389 178.478 176.094 -0.009 0.000 1.047 128 V CA 2.281 64.574 62.300 -0.013 0.000 1.035 128 V CB -0.867 30.942 31.823 -0.024 0.000 0.658 128 V HN 0.652 nan 8.190 nan 0.000 0.452 129 E N -0.060 120.135 120.200 -0.008 0.000 2.051 129 E HA -0.284 4.067 4.350 0.001 0.000 0.192 129 E C 2.245 178.844 176.600 -0.001 0.000 0.991 129 E CA 1.468 57.865 56.400 -0.005 0.000 0.799 129 E CB -0.159 29.538 29.700 -0.005 0.000 0.748 129 E HN 0.522 nan 8.360 nan 0.000 0.449 130 E N 0.787 120.988 120.200 0.000 0.000 2.204 130 E HA -0.167 4.184 4.350 0.001 0.000 0.195 130 E C 1.781 178.384 176.600 0.006 0.000 0.990 130 E CA 0.475 56.877 56.400 0.004 0.000 0.821 130 E CB -0.085 29.618 29.700 0.005 0.000 0.750 130 E HN 0.106 nan 8.360 nan 0.000 0.477 131 L N 0.617 121.842 121.223 0.004 0.000 2.093 131 L HA -0.050 4.291 4.340 0.001 0.000 0.208 131 L C 1.838 178.712 176.870 0.006 0.000 1.085 131 L CA 1.769 56.613 54.840 0.006 0.000 0.755 131 L CB -0.282 41.779 42.059 0.004 0.000 0.904 131 L HN 0.004 nan 8.230 nan 0.000 0.435 132 K N -0.914 119.488 120.400 0.003 0.000 2.057 132 K HA -0.073 4.247 4.320 0.001 0.000 0.206 132 K C 2.083 178.686 176.600 0.005 0.000 1.050 132 K CA 1.185 57.474 56.287 0.003 0.000 0.935 132 K CB -0.328 32.172 32.500 0.000 0.000 0.715 132 K HN 0.405 nan 8.250 nan 0.000 0.439 133 A N 1.396 124.219 122.820 0.005 0.000 1.940 133 A HA -0.136 4.184 4.320 0.001 0.000 0.219 133 A C 2.023 179.613 177.584 0.009 0.000 1.176 133 A CA 1.331 53.372 52.037 0.006 0.000 0.631 133 A CB -0.582 18.421 19.000 0.006 0.000 0.814 133 A HN 0.177 nan 8.150 nan 0.000 0.446 134 L N -0.512 120.717 121.223 0.011 0.000 2.418 134 L HA 0.036 4.376 4.340 0.001 0.000 0.218 134 L C 1.378 178.257 176.870 0.014 0.000 1.125 134 L CA 0.095 54.943 54.840 0.014 0.000 0.835 134 L CB -0.412 41.658 42.059 0.017 0.000 0.953 134 L HN 0.308 nan 8.230 nan 0.000 0.454 135 S N -0.291 115.416 115.700 0.012 0.000 2.546 135 S HA 0.135 4.605 4.470 0.001 0.000 0.290 135 S C 0.696 175.303 174.600 0.011 0.000 1.290 135 S CA -0.436 57.770 58.200 0.011 0.000 1.069 135 S CB 0.974 64.180 63.200 0.009 0.000 0.846 135 S HN 0.008 nan 8.310 nan 0.000 0.495 136 V N 6.667 126.588 119.914 0.012 0.000 4.182 136 V HA 0.623 4.743 4.120 0.001 0.000 0.169 136 V C -2.133 173.967 176.094 0.010 0.000 1.250 136 V CA -0.292 62.015 62.300 0.011 0.000 1.451 136 V CB 0.493 32.324 31.823 0.013 0.000 1.621 136 V HN 0.770 nan 8.190 nan 0.000 0.423 137 P HA 0.281 nan 4.420 nan 0.000 0.396 137 P C -2.357 174.947 177.300 0.007 0.000 1.280 137 P CA -0.257 62.848 63.100 0.008 0.000 1.507 137 P CB 1.965 33.670 31.700 0.008 0.000 3.188 138 C N 1.460 120.763 119.300 0.005 0.000 3.445 138 C HA 0.500 4.961 4.460 0.001 0.000 0.213 138 C C 1.072 176.064 174.990 0.003 0.000 1.319 138 C CA 0.278 59.298 59.018 0.004 0.000 1.402 138 C CB -1.623 26.119 27.740 0.004 0.000 1.819 138 C HN 0.530 nan 8.230 nan 0.000 0.491 139 S N 0.951 116.654 115.700 0.004 0.000 2.510 139 S HA 0.071 4.542 4.470 0.001 0.000 0.230 139 S C 0.557 175.160 174.600 0.004 0.000 1.066 139 S CA 0.246 58.449 58.200 0.004 0.000 0.941 139 S CB -0.093 63.110 63.200 0.006 0.000 0.829 139 S HN 0.938 nan 8.310 nan 0.000 0.530 140 D N 1.806 122.209 120.400 0.004 0.000 2.344 140 D HA 0.094 4.735 4.640 0.001 0.000 0.244 140 D C 0.966 177.268 176.300 0.003 0.000 1.134 140 D CA 0.346 54.348 54.000 0.004 0.000 0.930 140 D CB 1.081 41.884 40.800 0.004 0.000 1.175 140 D HN 0.252 nan 8.370 nan 0.000 0.437 141 S N 1.002 116.704 115.700 0.002 0.000 2.419 141 S HA -0.267 4.204 4.470 0.001 0.000 0.235 141 S C 1.686 176.287 174.600 0.001 0.000 1.019 141 S CA 1.033 59.234 58.200 0.001 0.000 0.982 141 S CB -0.345 62.855 63.200 0.001 0.000 0.789 141 S HN 0.647 nan 8.310 nan 0.000 0.490 142 K N 1.753 122.154 120.400 0.002 0.000 2.025 142 K HA 0.007 4.328 4.320 0.001 0.000 0.207 142 K C 2.395 178.996 176.600 0.001 0.000 1.049 142 K CA 1.139 57.427 56.287 0.001 0.000 0.933 142 K CB -0.662 31.839 32.500 0.002 0.000 0.714 142 K HN 0.414 nan 8.250 nan 0.000 0.438 143 A N 1.566 124.387 122.820 0.002 0.000 1.877 143 A HA -0.148 4.173 4.320 0.001 0.000 0.216 143 A C 2.107 179.692 177.584 0.002 0.000 1.186 143 A CA 1.585 53.623 52.037 0.003 0.000 0.620 143 A CB -0.644 18.358 19.000 0.004 0.000 0.822 143 A HN 0.371 nan 8.150 nan 0.000 0.443 144 I N -0.264 120.307 120.570 0.001 0.000 2.208 144 I HA -0.312 3.859 4.170 0.001 0.000 0.245 144 I C 2.974 179.091 176.117 0.001 0.000 1.097 144 I CA 1.107 62.407 61.300 0.001 0.000 1.363 144 I CB -0.422 37.578 38.000 -0.000 0.000 1.051 144 I HN 0.381 nan 8.210 nan 0.000 0.413 145 A N 0.255 123.075 122.820 0.000 0.000 1.877 145 A HA -0.256 4.065 4.320 0.001 0.000 0.216 145 A C 2.267 179.851 177.584 -0.001 0.000 1.186 145 A CA 1.582 53.619 52.037 -0.000 0.000 0.620 145 A CB -0.648 18.351 19.000 -0.000 0.000 0.822 145 A HN 0.445 nan 8.150 nan 0.000 0.443 146 Q N -0.532 119.267 119.800 -0.001 0.000 2.030 146 Q HA -0.148 4.192 4.340 0.001 0.000 0.204 146 Q C 2.190 178.190 176.000 -0.002 0.000 0.986 146 Q CA 1.927 57.728 55.803 -0.002 0.000 0.843 146 Q CB -0.434 28.303 28.738 -0.002 0.000 0.904 146 Q HN 0.474 nan 8.270 nan 0.000 0.420 147 V N 0.471 120.385 119.914 0.001 0.000 2.332 147 V HA -0.252 3.869 4.120 0.001 0.000 0.248 147 V C 2.217 178.314 176.094 0.005 0.000 1.055 147 V CA 2.013 64.315 62.300 0.003 0.000 1.038 147 V CB -1.278 30.548 31.823 0.006 0.000 0.651 147 V HN 0.585 nan 8.190 nan 0.000 0.450 148 G N -0.524 108.279 108.800 0.004 0.000 2.440 148 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 148 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 148 G C 1.689 176.591 174.900 0.003 0.000 1.154 148 G CA 1.582 46.686 45.100 0.006 0.000 0.767 148 G HN 0.477 nan 8.290 nan 0.000 0.552 149 T N 1.455 116.008 114.554 -0.001 0.000 2.674 149 T HA -0.072 4.278 4.350 0.001 0.000 0.265 149 T C 2.390 177.086 174.700 -0.006 0.000 1.039 149 T CA 1.117 63.214 62.100 -0.004 0.000 1.150 149 T CB -0.203 68.661 68.868 -0.006 0.000 0.864 149 T HN 0.248 nan 8.240 nan 0.000 0.427 150 I N 1.321 121.887 120.570 -0.006 0.000 2.264 150 I HA -0.164 4.007 4.170 0.001 0.000 0.248 150 I C 2.396 178.510 176.117 -0.005 0.000 1.111 150 I CA 1.065 62.359 61.300 -0.009 0.000 1.382 150 I CB -0.346 37.648 38.000 -0.009 0.000 1.060 150 I HN 0.187 nan 8.210 nan 0.000 0.418 151 S N 0.476 116.176 115.700 0.001 0.000 2.522 151 S HA 0.112 4.583 4.470 0.001 0.000 0.227 151 S C 1.595 176.197 174.600 0.004 0.000 0.986 151 S CA 0.764 58.967 58.200 0.006 0.000 0.929 151 S CB 0.055 63.266 63.200 0.017 0.000 0.769 151 S HN 0.495 nan 8.310 nan 0.000 0.529 152 A N 1.484 124.304 122.820 0.001 0.000 2.507 152 A HA 0.448 4.769 4.320 0.001 0.000 0.270 152 A C 0.642 178.223 177.584 -0.006 0.000 1.318 152 A CA -0.337 51.699 52.037 -0.001 0.000 0.924 152 A CB -0.556 18.444 19.000 0.000 0.000 1.061 152 A HN 0.381 nan 8.150 nan 0.000 0.516 153 N N -0.485 118.210 118.700 -0.009 0.000 2.783 153 N HA -0.221 4.520 4.740 0.001 0.000 0.247 153 N C 0.216 175.717 175.510 -0.015 0.000 1.089 153 N CA 1.113 54.155 53.050 -0.013 0.000 0.690 153 N CB -1.892 36.588 38.487 -0.012 0.000 0.991 153 N HN 0.521 nan 8.380 nan 0.000 0.552 154 S N -1.764 113.927 115.700 -0.015 0.000 3.361 154 S HA -0.225 4.245 4.470 0.001 0.000 0.288 154 S C -0.357 174.236 174.600 -0.013 0.000 1.269 154 S CA 0.771 58.961 58.200 -0.017 0.000 0.976 154 S CB -1.103 62.084 63.200 -0.022 0.000 1.162 154 S HN 0.737 nan 8.310 nan 0.000 0.643 155 D N 1.637 122.031 120.400 -0.009 0.000 2.453 155 D HA 0.206 4.847 4.640 0.001 0.000 0.223 155 D C 1.117 177.414 176.300 -0.006 0.000 1.183 155 D CA -0.155 53.840 54.000 -0.007 0.000 0.933 155 D CB 0.375 41.172 40.800 -0.005 0.000 1.038 155 D HN 0.487 nan 8.370 nan 0.000 0.513 156 E N 1.170 121.366 120.200 -0.006 0.000 2.267 156 E HA -0.140 4.211 4.350 0.001 0.000 0.197 156 E C 1.346 177.944 176.600 -0.004 0.000 0.998 156 E CA 0.910 57.307 56.400 -0.005 0.000 0.830 156 E CB 0.319 30.015 29.700 -0.006 0.000 0.751 156 E HN 0.463 nan 8.360 nan 0.000 0.491 157 T N 0.754 115.306 114.554 -0.003 0.000 2.643 157 T HA -0.134 4.217 4.350 0.001 0.000 0.264 157 T C 2.128 176.827 174.700 -0.001 0.000 1.045 157 T CA 1.264 63.363 62.100 -0.002 0.000 1.155 157 T CB -0.260 68.607 68.868 -0.002 0.000 0.863 157 T HN 0.001 nan 8.240 nan 0.000 0.420 158 V N 1.540 121.453 119.914 -0.001 0.000 2.380 158 V HA -0.161 3.960 4.120 0.001 0.000 0.251 158 V C 2.816 178.910 176.094 0.001 0.000 1.063 158 V CA 1.962 64.263 62.300 0.001 0.000 1.055 158 V CB -1.464 30.360 31.823 0.002 0.000 0.657 158 V HN 0.629 nan 8.190 nan 0.000 0.455 159 G N -0.281 108.519 108.800 0.000 0.000 2.446 159 G HA2 -0.330 3.631 3.960 0.001 0.000 0.217 159 G HA3 -0.330 3.631 3.960 0.001 0.000 0.217 159 G C 1.628 176.528 174.900 -0.000 0.000 1.168 159 G CA 1.141 46.241 45.100 0.000 0.000 0.771 159 G HN 0.520 nan 8.290 nan 0.000 0.551 160 K N 0.013 120.413 120.400 -0.001 0.000 2.026 160 K HA 0.025 4.346 4.320 0.001 0.000 0.208 160 K C 2.539 179.139 176.600 -0.000 0.000 1.048 160 K CA 0.868 57.155 56.287 -0.001 0.000 0.929 160 K CB -0.316 32.184 32.500 -0.001 0.000 0.713 160 K HN 0.331 nan 8.250 nan 0.000 0.439 161 L N 1.001 122.224 121.223 -0.000 0.000 1.971 161 L HA -0.266 4.075 4.340 0.001 0.000 0.215 161 L C 2.517 179.387 176.870 0.000 0.000 1.072 161 L CA 1.685 56.525 54.840 0.000 0.000 0.758 161 L CB -0.464 41.596 42.059 0.001 0.000 0.889 161 L HN 0.280 nan 8.230 nan 0.000 0.433 162 I N -0.450 120.121 120.570 0.001 0.000 2.194 162 I HA -0.335 3.835 4.170 0.001 0.000 0.246 162 I C 2.759 178.875 176.117 -0.001 0.000 1.093 162 I CA 1.273 62.573 61.300 0.000 0.000 1.355 162 I CB -0.522 37.479 38.000 0.002 0.000 1.046 162 I HN 0.272 nan 8.210 nan 0.000 0.413 163 A N 0.528 123.347 122.820 -0.001 0.000 1.902 163 A HA -0.222 4.099 4.320 0.001 0.000 0.217 163 A C 2.220 179.803 177.584 -0.001 0.000 1.181 163 A CA 1.750 53.786 52.037 -0.001 0.000 0.623 163 A CB -0.557 18.443 19.000 -0.000 0.000 0.818 163 A HN 0.480 nan 8.150 nan 0.000 0.443 164 E N -0.205 119.994 120.200 -0.001 0.000 2.072 164 E HA -0.061 4.289 4.350 0.001 0.000 0.191 164 E C 2.322 178.921 176.600 -0.001 0.000 0.985 164 E CA 0.830 57.229 56.400 -0.001 0.000 0.801 164 E CB -0.303 29.396 29.700 -0.001 0.000 0.750 164 E HN 0.608 nan 8.360 nan 0.000 0.452 165 A N 1.398 124.217 122.820 -0.002 0.000 1.902 165 A HA -0.176 4.145 4.320 0.001 0.000 0.217 165 A C 2.169 179.751 177.584 -0.004 0.000 1.181 165 A CA 1.400 53.435 52.037 -0.003 0.000 0.623 165 A CB -0.443 18.555 19.000 -0.003 0.000 0.818 165 A HN 0.138 nan 8.150 nan 0.000 0.443 166 M N -1.115 118.482 119.600 -0.004 0.000 2.394 166 M HA -0.091 4.390 4.480 0.001 0.000 0.264 166 M C 1.645 177.943 176.300 -0.003 0.000 1.073 166 M CA 1.557 56.854 55.300 -0.005 0.000 1.111 166 M CB -0.387 32.209 32.600 -0.006 0.000 1.401 166 M HN 0.479 nan 8.290 nan 0.000 0.448 167 D N 0.590 120.989 120.400 -0.002 0.000 2.224 167 D HA -0.103 4.538 4.640 0.001 0.000 0.205 167 D C 2.006 178.306 176.300 -0.000 0.000 0.965 167 D CA 1.032 55.031 54.000 -0.001 0.000 0.852 167 D CB 0.370 41.170 40.800 -0.000 0.000 0.947 167 D HN 0.009 nan 8.370 nan 0.000 0.494 168 K N 0.001 120.400 120.400 -0.001 0.000 1.980 168 K HA -0.012 4.308 4.320 0.001 0.000 0.208 168 K C 2.027 178.627 176.600 0.000 0.000 1.043 168 K CA 1.332 57.619 56.287 -0.000 0.000 0.938 168 K CB -0.796 31.703 32.500 -0.001 0.000 0.724 168 K HN 0.247 nan 8.250 nan 0.000 0.438 169 V N -1.715 118.199 119.914 -0.001 0.000 3.633 169 V HA 0.340 4.460 4.120 0.001 0.000 0.283 169 V C 0.562 176.656 176.094 0.000 0.000 1.305 169 V CA 0.221 62.521 62.300 0.000 0.000 1.153 169 V CB -0.816 31.006 31.823 -0.002 0.000 0.950 169 V HN 0.442 nan 8.190 nan 0.000 0.432 170 G N 1.990 110.790 108.800 -0.001 0.000 2.716 170 G HA2 -0.207 3.754 3.960 0.001 0.000 0.686 170 G HA3 -0.207 3.754 3.960 0.001 0.000 0.686 170 G C 0.174 175.072 174.900 -0.004 0.000 1.337 170 G CA -0.071 45.029 45.100 -0.000 0.000 0.829 170 G HN 0.763 nan 8.290 nan 0.000 0.599 171 K N -0.148 120.250 120.400 -0.004 0.000 2.515 171 K HA 0.043 4.364 4.320 0.001 0.000 0.196 171 K C 1.038 177.630 176.600 -0.013 0.000 1.038 171 K CA 1.585 57.867 56.287 -0.008 0.000 0.967 171 K CB 0.308 32.804 32.500 -0.006 0.000 0.780 171 K HN 0.428 nan 8.250 nan 0.000 0.483 172 E N 1.207 121.402 120.200 -0.009 0.000 2.476 172 E HA 0.085 4.436 4.350 0.001 0.000 0.199 172 E C 0.900 177.492 176.600 -0.015 0.000 1.021 172 E CA 0.121 56.514 56.400 -0.011 0.000 0.907 172 E CB 0.706 30.406 29.700 -0.001 0.000 0.974 172 E HN 0.416 nan 8.360 nan 0.000 0.489 173 G N 1.023 109.816 108.800 -0.012 0.000 2.651 173 G HA2 0.266 4.227 3.960 0.001 0.000 0.260 173 G HA3 0.266 4.227 3.960 0.001 0.000 0.260 173 G C 0.145 175.028 174.900 -0.027 0.000 1.216 173 G CA -0.464 44.628 45.100 -0.014 0.000 0.913 173 G HN -0.058 nan 8.290 nan 0.000 0.535 174 V N 0.479 120.374 119.914 -0.032 0.000 2.546 174 V HA 0.427 4.548 4.120 0.001 0.000 0.284 174 V C 0.283 176.360 176.094 -0.028 0.000 1.050 174 V CA 0.066 62.342 62.300 -0.041 0.000 0.981 174 V CB 0.834 32.624 31.823 -0.056 0.000 0.990 174 V HN 0.451 nan 8.190 nan 0.000 0.474 175 I N 3.492 124.046 120.570 -0.027 0.000 2.607 175 I HA 0.525 4.695 4.170 0.001 0.000 0.290 175 I C -0.288 175.821 176.117 -0.013 0.000 1.129 175 I CA -0.184 61.106 61.300 -0.017 0.000 1.042 175 I CB 2.601 40.592 38.000 -0.015 0.000 1.242 175 I HN 0.585 nan 8.210 nan 0.000 0.421 176 T N 4.311 118.860 114.554 -0.008 0.000 2.901 176 T HA 0.684 5.035 4.350 0.001 0.000 0.293 176 T C -0.765 173.936 174.700 0.001 0.000 1.084 176 T CA -0.714 61.385 62.100 -0.002 0.000 1.008 176 T CB 2.597 71.463 68.868 -0.004 0.000 1.170 176 T HN 0.458 nan 8.240 nan 0.000 0.509 177 V N -0.789 119.127 119.914 0.005 0.000 2.638 177 V HA 0.843 4.964 4.120 0.001 0.000 0.306 177 V C -1.065 175.031 176.094 0.004 0.000 1.052 177 V CA -0.800 61.503 62.300 0.005 0.000 0.885 177 V CB 1.723 33.551 31.823 0.008 0.000 0.999 177 V HN 0.939 nan 8.190 nan 0.000 0.424 178 E N 1.989 122.191 120.200 0.003 0.000 2.392 178 E HA 0.432 4.783 4.350 0.001 0.000 0.269 178 E C -1.440 175.161 176.600 0.002 0.000 0.924 178 E CA -1.060 55.341 56.400 0.002 0.000 0.784 178 E CB 1.822 31.522 29.700 0.001 0.000 1.292 178 E HN 0.788 nan 8.360 nan 0.000 0.447 179 D N 0.997 121.398 120.400 0.001 0.000 2.472 179 D HA 0.106 4.747 4.640 0.001 0.000 0.237 179 D C 0.173 176.473 176.300 0.000 0.000 1.141 179 D CA 0.474 54.474 54.000 0.001 0.000 0.875 179 D CB 0.911 41.711 40.800 0.000 0.000 1.192 179 D HN 0.486 nan 8.370 nan 0.000 0.450 180 G N -0.281 108.519 108.800 -0.000 0.000 2.562 180 G HA2 0.245 4.206 3.960 0.001 0.000 0.275 180 G HA3 0.245 4.206 3.960 0.001 0.000 0.275 180 G C 1.120 176.019 174.900 -0.001 0.000 1.196 180 G CA -0.231 44.869 45.100 -0.000 0.000 0.908 180 G HN 0.444 nan 8.290 nan 0.000 0.524 181 T N -2.909 111.645 114.554 -0.001 0.000 3.055 181 T HA 0.388 4.738 4.350 0.001 0.000 0.265 181 T C 1.113 175.812 174.700 -0.001 0.000 1.111 181 T CA 0.797 62.896 62.100 -0.001 0.000 1.118 181 T CB -0.078 68.789 68.868 -0.001 0.000 0.909 181 T HN 2.090 nan 8.240 nan 0.000 0.501 182 G N 1.454 110.254 108.800 -0.001 0.000 3.160 182 G HA2 0.347 4.307 3.960 0.001 0.000 0.573 182 G HA3 0.347 4.307 3.960 0.001 0.000 0.573 182 G C -0.830 174.070 174.900 -0.001 0.000 1.286 182 G CA -0.692 44.407 45.100 -0.001 0.000 1.151 182 G HN 0.754 nan 8.290 nan 0.000 0.555 183 L N 0.916 122.138 121.223 -0.001 0.000 0.917 183 L HA -0.158 4.183 4.340 0.001 0.000 0.366 183 L C 0.323 177.193 176.870 -0.001 0.000 1.004 183 L CA 2.215 57.054 54.840 -0.001 0.000 1.219 183 L CB -0.738 41.321 42.059 -0.001 0.000 0.252 183 L HN 1.981 nan 8.230 nan 0.000 0.192 184 Q N 1.969 121.769 119.800 -0.001 0.000 3.203 184 Q HA -0.093 4.248 4.340 0.001 0.000 0.033 184 Q C -0.648 175.351 176.000 -0.001 0.000 1.693 184 Q CA 0.988 56.791 55.803 -0.001 0.000 0.254 184 Q CB -0.109 28.628 28.738 -0.001 0.000 0.583 184 Q HN 0.675 nan 8.270 nan 0.000 0.322 185 D N 2.542 122.942 120.400 -0.001 0.000 2.329 185 D HA 0.312 4.953 4.640 0.001 0.000 0.246 185 D C -0.100 176.200 176.300 -0.001 0.000 1.111 185 D CA 0.040 54.040 54.000 -0.001 0.000 0.941 185 D CB 0.814 41.614 40.800 -0.000 0.000 1.169 185 D HN 0.322 nan 8.370 nan 0.000 0.441 186 E N 0.050 120.249 120.200 -0.001 0.000 2.272 186 E HA 0.456 4.807 4.350 0.001 0.000 0.269 186 E C -1.180 175.420 176.600 -0.001 0.000 0.877 186 E CA -0.860 55.540 56.400 -0.001 0.000 0.755 186 E CB 2.457 32.157 29.700 -0.001 0.000 1.192 186 E HN 0.069 nan 8.360 nan 0.000 0.422 187 L N 4.159 125.382 121.223 -0.001 0.000 2.406 187 L HA 0.440 4.781 4.340 0.001 0.000 0.270 187 L C -1.829 175.041 176.870 -0.001 0.000 0.982 187 L CA -0.305 54.534 54.840 -0.001 0.000 0.843 187 L CB 1.158 43.216 42.059 -0.001 0.000 1.225 187 L HN 0.492 nan 8.230 nan 0.000 0.412 188 D N 4.209 124.608 120.400 -0.001 0.000 2.857 188 D HA 0.360 5.001 4.640 0.001 0.000 0.227 188 D C -1.042 175.258 176.300 -0.001 0.000 1.192 188 D CA -0.471 53.528 54.000 -0.001 0.000 0.857 188 D CB 2.237 43.036 40.800 -0.001 0.000 1.645 188 D HN 0.238 nan 8.370 nan 0.000 0.482 189 V N 1.125 121.039 119.914 -0.000 0.000 2.406 189 V HA 0.404 4.525 4.120 0.001 0.000 0.272 189 V C 0.810 176.905 176.094 0.001 0.000 1.043 189 V CA -0.595 61.706 62.300 0.000 0.000 0.915 189 V CB 0.899 32.723 31.823 0.002 0.000 0.988 189 V HN 0.588 nan 8.190 nan 0.000 0.466 190 V N 1.940 121.855 119.914 0.001 0.000 3.103 190 V HA 0.739 4.860 4.120 0.001 0.000 0.318 190 V C 0.101 176.199 176.094 0.006 0.000 1.114 190 V CA -0.840 61.461 62.300 0.002 0.000 1.020 190 V CB 1.999 33.822 31.823 -0.001 0.000 1.085 190 V HN 0.661 nan 8.190 nan 0.000 0.446 191 E N 0.515 120.720 120.200 0.008 0.000 2.816 191 E HA 0.667 5.017 4.350 0.001 0.000 0.260 191 E C 0.398 177.006 176.600 0.013 0.000 1.414 191 E CA 0.923 57.334 56.400 0.017 0.000 1.074 191 E CB 0.632 30.342 29.700 0.018 0.000 1.123 191 E HN 1.572 nan 8.360 nan 0.000 0.664 192 G N -0.739 108.071 108.800 0.017 0.000 2.353 192 G HA2 0.225 4.185 3.960 0.001 0.000 0.424 192 G HA3 0.225 4.185 3.960 0.001 0.000 0.424 192 G C -1.210 173.712 174.900 0.037 0.000 1.320 192 G CA -0.229 44.886 45.100 0.026 0.000 0.995 192 G HN 0.405 nan 8.290 nan 0.000 0.580 193 M N -0.363 119.272 119.600 0.058 0.000 2.643 193 M HA 0.683 5.164 4.480 0.001 0.000 0.276 193 M C -2.034 174.335 176.300 0.115 0.000 1.200 193 M CA -0.702 54.648 55.300 0.085 0.000 0.863 193 M CB 2.271 34.930 32.600 0.099 0.000 1.711 193 M HN 0.889 nan 8.290 nan 0.000 0.492 194 Q N 3.176 123.050 119.800 0.125 0.000 2.271 194 Q HA 0.611 4.952 4.340 0.001 0.000 0.268 194 Q C -2.197 173.900 176.000 0.160 0.000 1.021 194 Q CA -0.596 55.252 55.803 0.075 0.000 0.802 194 Q CB 2.072 30.808 28.738 -0.004 0.000 1.282 194 Q HN 0.583 nan 8.270 nan 0.000 0.431 195 F N -0.019 119.924 119.950 -0.012 0.000 2.593 195 F HA 0.530 5.058 4.527 0.001 0.000 0.320 195 F C -0.439 175.352 175.800 -0.016 0.000 1.060 195 F CA -1.295 56.698 58.000 -0.011 0.000 0.940 195 F CB 0.982 39.979 39.000 -0.006 0.000 1.268 195 F HN 0.271 nan 8.300 nan 0.000 0.475 196 D N 3.447 123.916 120.400 0.114 0.000 2.545 196 D HA 0.188 4.829 4.640 0.001 0.000 0.227 196 D C -0.282 176.032 176.300 0.023 0.000 1.150 196 D CA 0.324 54.330 54.000 0.010 0.000 1.046 196 D CB -0.096 40.725 40.800 0.035 0.000 1.098 196 D HN 0.319 nan 8.370 nan 0.000 0.502 197 R N 0.658 121.090 120.500 -0.113 0.000 2.523 197 R HA 0.422 4.763 4.340 0.001 0.000 0.278 197 R C 0.150 176.330 176.300 -0.201 0.000 1.150 197 R CA -0.667 55.395 56.100 -0.064 0.000 0.987 197 R CB 1.783 32.179 30.300 0.160 0.000 1.232 197 R HN 0.284 nan 8.270 nan 0.000 0.424 198 G N 1.155 109.833 108.800 -0.204 0.000 2.557 198 G HA2 0.443 4.404 3.960 0.001 0.000 0.302 198 G HA3 0.443 4.404 3.960 0.001 0.000 0.302 198 G C -0.556 174.201 174.900 -0.239 0.000 1.311 198 G CA -0.551 44.344 45.100 -0.342 0.000 1.030 198 G HN 0.435 nan 8.290 nan 0.000 0.509 199 Y N -1.183 119.126 120.300 0.015 0.000 2.702 199 Y HA 0.259 4.810 4.550 0.001 0.000 0.336 199 Y C 1.147 177.131 175.900 0.140 0.000 1.235 199 Y CA -0.993 57.149 58.100 0.071 0.000 1.492 199 Y CB 0.299 38.864 38.460 0.174 0.000 1.308 199 Y HN 0.172 nan 8.280 nan 0.000 0.589 200 L N 2.844 124.298 121.223 0.385 0.000 2.675 200 L HA 0.089 4.429 4.340 0.001 0.000 0.239 200 L C 0.106 177.235 176.870 0.431 0.000 1.151 200 L CA 0.771 55.815 54.840 0.340 0.000 0.905 200 L CB -1.067 41.155 42.059 0.271 0.000 1.057 200 L HN 0.914 nan 8.230 nan 0.000 0.435 201 S N -3.907 112.147 115.700 0.589 0.000 2.769 201 S HA 0.254 4.724 4.470 0.001 0.000 0.283 201 S C -2.973 171.689 174.600 0.103 0.000 0.936 201 S CA -1.225 57.177 58.200 0.336 0.000 0.893 201 S CB 0.904 64.220 63.200 0.193 0.000 1.125 201 S HN -0.257 nan 8.310 nan 0.000 0.464 202 P HA 0.423 nan 4.420 nan 0.000 0.321 202 P C 0.322 177.328 177.300 -0.490 0.000 1.338 202 P CA 0.535 63.257 63.100 -0.631 0.000 0.764 202 P CB -0.125 31.184 31.700 -0.652 0.000 1.641 203 Y N -4.891 115.214 120.300 -0.326 0.000 2.802 203 Y HA -0.304 4.247 4.550 0.001 0.000 0.485 203 Y C 1.869 177.622 175.900 -0.244 0.000 1.190 203 Y CA 1.497 59.417 58.100 -0.300 0.000 2.757 203 Y CB -3.075 35.145 38.460 -0.399 0.000 0.919 203 Y HN 0.110 nan 8.280 nan 0.000 0.540 204 F N 0.614 120.554 119.950 -0.016 0.000 2.307 204 F HA -0.060 4.468 4.527 0.001 0.000 0.301 204 F C 1.449 177.195 175.800 -0.091 0.000 1.076 204 F CA 0.770 58.749 58.000 -0.035 0.000 1.383 204 F CB -0.582 38.406 39.000 -0.021 0.000 1.055 204 F HN -0.004 nan 8.300 nan 0.000 0.526 205 I N 2.548 123.087 120.570 -0.052 0.000 2.680 205 I HA -0.146 4.024 4.170 0.001 0.000 0.286 205 I C 0.868 176.975 176.117 -0.016 0.000 1.144 205 I CA 0.185 61.433 61.300 -0.087 0.000 1.370 205 I CB -0.090 37.782 38.000 -0.213 0.000 1.420 205 I HN 0.184 nan 8.210 nan 0.000 0.540 206 N N 5.307 124.020 118.700 0.022 0.000 2.373 206 N HA -0.016 4.725 4.740 0.001 0.000 0.181 206 N C 0.085 175.603 175.510 0.013 0.000 1.082 206 N CA 0.273 53.339 53.050 0.025 0.000 0.885 206 N CB 0.288 38.798 38.487 0.039 0.000 0.977 206 N HN 0.441 nan 8.380 nan 0.000 0.462 207 K N 1.050 121.456 120.400 0.009 0.000 2.624 207 K HA 0.243 4.564 4.320 0.001 0.000 0.200 207 K C -2.093 174.508 176.600 0.001 0.000 1.036 207 K CA -1.741 54.551 56.287 0.007 0.000 1.029 207 K CB 2.030 34.538 32.500 0.014 0.000 1.317 207 K HN 0.021 nan 8.250 nan 0.000 0.555 208 P HA -0.176 nan 4.420 nan 0.000 0.223 208 P C 0.270 177.567 177.300 -0.005 0.000 1.144 208 P CA 1.150 64.241 63.100 -0.016 0.000 0.783 208 P CB 0.508 32.194 31.700 -0.023 0.000 0.771 209 E N -0.127 120.074 120.200 0.000 0.000 2.077 209 E HA -0.097 4.254 4.350 0.001 0.000 0.193 209 E C 1.619 178.225 176.600 0.009 0.000 0.989 209 E CA 1.718 58.120 56.400 0.003 0.000 0.800 209 E CB -1.058 28.644 29.700 0.004 0.000 0.746 209 E HN 0.263 nan 8.360 nan 0.000 0.452 210 T N -1.378 113.186 114.554 0.016 0.000 3.054 210 T HA 0.275 4.625 4.350 0.001 0.000 0.255 210 T C 1.087 175.811 174.700 0.041 0.000 1.035 210 T CA 0.284 62.400 62.100 0.026 0.000 0.941 210 T CB 0.687 69.570 68.868 0.026 0.000 1.026 210 T HN 0.337 nan 8.240 nan 0.000 0.533 211 G N 1.808 110.626 108.800 0.031 0.000 2.258 211 G HA2 -0.059 3.902 3.960 0.001 0.000 0.274 211 G HA3 -0.059 3.902 3.960 0.001 0.000 0.274 211 G C 0.161 175.121 174.900 0.100 0.000 1.021 211 G CA 0.282 45.407 45.100 0.041 0.000 0.798 211 G HN 0.910 nan 8.290 nan 0.000 0.507 212 A N -1.606 121.264 122.820 0.084 0.000 2.387 212 A HA 0.933 5.254 4.320 0.001 0.000 0.298 212 A C -0.249 177.388 177.584 0.087 0.000 1.165 212 A CA -0.237 51.880 52.037 0.134 0.000 0.814 212 A CB 1.959 21.017 19.000 0.095 0.000 1.357 212 A HN 1.146 nan 8.150 nan 0.000 0.443 213 V N 0.764 120.749 119.914 0.119 0.000 2.459 213 V HA 0.556 4.677 4.120 0.001 0.000 0.295 213 V C -0.152 175.974 176.094 0.053 0.000 1.029 213 V CA -0.390 61.961 62.300 0.085 0.000 0.874 213 V CB 1.312 33.207 31.823 0.119 0.000 0.985 213 V HN 0.915 nan 8.190 nan 0.000 0.438 214 E N 4.250 124.472 120.200 0.036 0.000 2.224 214 E HA 0.673 5.024 4.350 0.001 0.000 0.265 214 E C -1.793 174.815 176.600 0.013 0.000 0.878 214 E CA -0.588 55.823 56.400 0.019 0.000 0.759 214 E CB 1.710 31.419 29.700 0.014 0.000 1.164 214 E HN 0.631 nan 8.360 nan 0.000 0.414 215 L N 3.140 124.364 121.223 0.002 0.000 2.362 215 L HA 0.531 4.872 4.340 0.001 0.000 0.271 215 L C -0.461 176.397 176.870 -0.020 0.000 1.002 215 L CA -0.872 53.965 54.840 -0.006 0.000 0.818 215 L CB 2.109 44.163 42.059 -0.008 0.000 1.298 215 L HN 0.511 nan 8.230 nan 0.000 0.420 216 E N 1.020 121.202 120.200 -0.030 0.000 2.158 216 E HA 0.320 4.670 4.350 0.001 0.000 0.271 216 E C -0.465 176.089 176.600 -0.077 0.000 0.911 216 E CA -0.583 55.791 56.400 -0.043 0.000 0.767 216 E CB 1.699 31.380 29.700 -0.032 0.000 1.120 216 E HN 0.607 nan 8.360 nan 0.000 0.405 217 S N 1.962 117.607 115.700 -0.092 0.000 3.550 217 S HA -0.131 4.339 4.470 0.001 0.000 0.372 217 S C -2.134 172.316 174.600 -0.249 0.000 0.966 217 S CA 0.428 58.536 58.200 -0.152 0.000 1.229 217 S CB -1.404 61.709 63.200 -0.145 0.000 0.917 217 S HN 0.491 nan 8.310 nan 0.000 0.496 218 P HA 0.588 nan 4.420 nan 0.000 0.283 218 P C -0.217 176.930 177.300 -0.255 0.000 1.278 218 P CA -0.751 62.224 63.100 -0.208 0.000 0.834 218 P CB 0.608 32.268 31.700 -0.066 0.000 1.150 219 F N -0.087 119.868 119.950 0.008 0.000 2.379 219 F HA 0.423 4.951 4.527 0.001 0.000 0.332 219 F C 0.846 176.651 175.800 0.007 0.000 1.096 219 F CA -0.370 57.634 58.000 0.007 0.000 1.105 219 F CB 0.639 39.642 39.000 0.006 0.000 1.189 219 F HN 0.019 nan 8.300 nan 0.000 0.515 220 I N 4.498 125.200 120.570 0.220 0.000 2.420 220 I HA 0.208 4.379 4.170 0.001 0.000 0.282 220 I C -1.094 175.077 176.117 0.092 0.000 1.019 220 I CA -0.859 60.514 61.300 0.121 0.000 1.130 220 I CB 1.474 39.526 38.000 0.088 0.000 1.262 220 I HN 0.268 nan 8.210 nan 0.000 0.454 221 L N 8.295 129.559 121.223 0.068 0.000 2.313 221 L HA 0.369 4.710 4.340 0.001 0.000 0.282 221 L C -0.647 176.238 176.870 0.024 0.000 1.092 221 L CA 0.266 55.128 54.840 0.037 0.000 0.831 221 L CB 0.487 42.562 42.059 0.027 0.000 1.159 221 L HN 0.482 nan 8.230 nan 0.000 0.442 222 L N 6.901 128.131 121.223 0.012 0.000 2.417 222 L HA 0.544 4.885 4.340 0.001 0.000 0.258 222 L C 0.201 177.066 176.870 -0.007 0.000 1.088 222 L CA -0.382 54.456 54.840 -0.003 0.000 0.975 222 L CB 0.553 42.604 42.059 -0.013 0.000 1.341 222 L HN 0.792 nan 8.230 nan 0.000 0.431 223 A N 0.802 123.621 122.820 -0.001 0.000 2.276 223 A HA 0.276 4.597 4.320 0.001 0.000 0.300 223 A C -0.033 177.549 177.584 -0.003 0.000 1.235 223 A CA -0.423 51.614 52.037 -0.001 0.000 0.867 223 A CB 0.453 19.456 19.000 0.007 0.000 1.137 223 A HN 0.596 nan 8.150 nan 0.000 0.527 224 D N 2.311 122.707 120.400 -0.007 0.000 2.896 224 D HA 0.348 4.988 4.640 0.001 0.000 0.240 224 D C 0.032 176.332 176.300 0.001 0.000 1.193 224 D CA 0.143 54.138 54.000 -0.008 0.000 0.983 224 D CB -0.599 40.192 40.800 -0.014 0.000 1.074 224 D HN 0.646 nan 8.370 nan 0.000 0.496 225 K N -0.886 119.519 120.400 0.009 0.000 2.999 225 K HA 0.256 4.577 4.320 0.001 0.000 0.295 225 K C -1.231 175.382 176.600 0.022 0.000 1.082 225 K CA -1.159 55.137 56.287 0.015 0.000 0.816 225 K CB 0.638 33.145 32.500 0.012 0.000 1.492 225 K HN -0.178 nan 8.250 nan 0.000 0.362 226 K N 0.925 121.340 120.400 0.026 0.000 2.185 226 K HA 0.425 4.746 4.320 0.001 0.000 0.271 226 K C -0.493 176.125 176.600 0.029 0.000 1.013 226 K CA -0.478 55.828 56.287 0.032 0.000 0.943 226 K CB 0.720 33.240 32.500 0.033 0.000 0.998 226 K HN 0.375 nan 8.250 nan 0.000 0.468 227 I N 1.945 122.536 120.570 0.035 0.000 2.411 227 I HA 0.077 4.247 4.170 0.001 0.000 0.284 227 I C 0.291 176.431 176.117 0.038 0.000 1.012 227 I CA -0.096 61.224 61.300 0.034 0.000 1.119 227 I CB 1.824 39.846 38.000 0.036 0.000 1.261 227 I HN 0.640 nan 8.210 nan 0.000 0.448 228 S N 3.318 119.037 115.700 0.032 0.000 2.566 228 S HA 0.196 4.666 4.470 0.001 0.000 0.234 228 S C 0.668 175.285 174.600 0.028 0.000 1.075 228 S CA -0.035 58.184 58.200 0.032 0.000 0.926 228 S CB 0.236 63.452 63.200 0.027 0.000 0.811 228 S HN 0.583 nan 8.310 nan 0.000 0.518 229 N N 1.968 120.683 118.700 0.024 0.000 2.434 229 N HA 0.290 5.030 4.740 0.001 0.000 0.272 229 N C 0.533 176.056 175.510 0.021 0.000 1.040 229 N CA -0.093 52.969 53.050 0.020 0.000 0.956 229 N CB 1.753 40.249 38.487 0.015 0.000 1.108 229 N HN 0.172 nan 8.380 nan 0.000 0.481 230 I N 2.912 123.495 120.570 0.021 0.000 2.454 230 I HA -0.238 3.932 4.170 0.001 0.000 0.254 230 I C 1.991 178.118 176.117 0.017 0.000 1.156 230 I CA 1.062 62.375 61.300 0.022 0.000 1.433 230 I CB 0.206 38.219 38.000 0.021 0.000 1.082 230 I HN 0.432 nan 8.210 nan 0.000 0.432 231 R N 0.902 121.410 120.500 0.013 0.000 2.134 231 R HA -0.268 4.073 4.340 0.001 0.000 0.248 231 R C 2.024 178.328 176.300 0.007 0.000 1.143 231 R CA 2.393 58.498 56.100 0.009 0.000 0.957 231 R CB -0.650 29.654 30.300 0.007 0.000 0.867 231 R HN 0.564 nan 8.270 nan 0.000 0.441 232 E N -0.087 120.119 120.200 0.009 0.000 2.118 232 E HA -0.194 4.157 4.350 0.001 0.000 0.195 232 E C 2.026 178.630 176.600 0.006 0.000 0.992 232 E CA 1.193 57.597 56.400 0.007 0.000 0.804 232 E CB -0.044 29.662 29.700 0.009 0.000 0.741 232 E HN 0.281 nan 8.360 nan 0.000 0.458 233 M N 0.249 119.855 119.600 0.011 0.000 2.236 233 M HA -0.025 4.455 4.480 0.001 0.000 0.266 233 M C 2.358 178.663 176.300 0.007 0.000 1.070 233 M CA 0.948 56.255 55.300 0.011 0.000 1.137 233 M CB -0.851 31.762 32.600 0.022 0.000 1.378 233 M HN 0.140 nan 8.290 nan 0.000 0.426 234 L N 0.684 121.912 121.223 0.008 0.000 2.058 234 L HA -0.280 4.061 4.340 0.001 0.000 0.226 234 L C -0.175 176.694 176.870 -0.002 0.000 1.089 234 L CA 2.119 56.962 54.840 0.005 0.000 0.799 234 L CB -2.709 39.353 42.059 0.004 0.000 0.900 234 L HN 0.205 nan 8.230 nan 0.000 0.442 235 P HA -0.125 nan 4.420 nan 0.000 0.215 235 P C 1.850 179.135 177.300 -0.025 0.000 1.157 235 P CA 1.602 64.693 63.100 -0.015 0.000 0.863 235 P CB 0.003 31.694 31.700 -0.016 0.000 0.787 236 V N 0.281 120.179 119.914 -0.027 0.000 2.453 236 V HA -0.164 3.957 4.120 0.001 0.000 0.247 236 V C 2.882 178.955 176.094 -0.035 0.000 1.048 236 V CA 1.246 63.519 62.300 -0.044 0.000 1.049 236 V CB -1.222 30.578 31.823 -0.039 0.000 0.672 236 V HN -0.016 nan 8.190 nan 0.000 0.457 237 L N -0.123 121.094 121.223 -0.009 0.000 2.079 237 L HA -0.206 4.135 4.340 0.001 0.000 0.210 237 L C 2.581 179.455 176.870 0.006 0.000 1.081 237 L CA 1.743 56.589 54.840 0.009 0.000 0.752 237 L CB -0.576 41.496 42.059 0.020 0.000 0.896 237 L HN 0.420 nan 8.230 nan 0.000 0.433 238 E N 0.017 120.215 120.200 -0.003 0.000 2.107 238 E HA -0.140 4.211 4.350 0.001 0.000 0.191 238 E C 2.319 178.911 176.600 -0.014 0.000 0.982 238 E CA 0.933 57.331 56.400 -0.003 0.000 0.809 238 E CB -0.130 29.567 29.700 -0.005 0.000 0.756 238 E HN 0.477 nan 8.360 nan 0.000 0.459 239 A N 1.039 123.836 122.820 -0.039 0.000 1.972 239 A HA -0.123 4.197 4.320 0.001 0.000 0.219 239 A C 2.381 179.916 177.584 -0.082 0.000 1.169 239 A CA 1.063 53.057 52.037 -0.071 0.000 0.635 239 A CB -0.341 18.592 19.000 -0.111 0.000 0.810 239 A HN 0.119 nan 8.150 nan 0.000 0.446 240 V N -0.617 119.262 119.914 -0.059 0.000 2.951 240 V HA -0.044 4.077 4.120 0.001 0.000 0.255 240 V C 2.840 178.985 176.094 0.085 0.000 1.088 240 V CA 1.117 63.426 62.300 0.016 0.000 1.109 240 V CB -0.809 31.052 31.823 0.064 0.000 0.724 240 V HN 0.579 nan 8.190 nan 0.000 0.471 241 A N 0.086 122.933 122.820 0.046 0.000 1.940 241 A HA -0.153 4.168 4.320 0.001 0.000 0.219 241 A C 1.571 179.188 177.584 0.055 0.000 1.176 241 A CA 1.299 53.365 52.037 0.048 0.000 0.631 241 A CB -0.199 18.819 19.000 0.029 0.000 0.814 241 A HN 0.543 nan 8.150 nan 0.000 0.446 242 K N -2.944 117.484 120.400 0.047 0.000 2.155 242 K HA 0.475 4.795 4.320 0.001 0.000 0.237 242 K C 1.053 177.711 176.600 0.097 0.000 1.040 242 K CA 0.134 56.452 56.287 0.052 0.000 0.912 242 K CB 0.216 32.735 32.500 0.030 0.000 1.137 242 K HN 0.679 nan 8.250 nan 0.000 0.498 243 A N -0.024 122.854 122.820 0.096 0.000 3.721 243 A HA -0.216 4.105 4.320 0.001 0.000 0.270 243 A C 1.119 178.777 177.584 0.122 0.000 1.036 243 A CA 1.480 53.602 52.037 0.140 0.000 1.102 243 A CB -2.493 16.668 19.000 0.268 0.000 1.100 243 A HN 1.358 nan 8.150 nan 0.000 0.887 244 G N -0.984 107.875 108.800 0.100 0.000 2.421 244 G HA2 -0.255 3.706 3.960 0.001 0.000 0.300 244 G HA3 -0.255 3.706 3.960 0.001 0.000 0.300 244 G C -0.077 174.857 174.900 0.056 0.000 0.974 244 G CA 1.480 46.622 45.100 0.069 0.000 1.062 244 G HN 1.164 nan 8.290 nan 0.000 0.514 245 K N 0.518 120.976 120.400 0.097 0.000 2.316 245 K HA 0.510 4.831 4.320 0.001 0.000 0.251 245 K C -2.277 174.366 176.600 0.071 0.000 0.934 245 K CA -2.070 54.222 56.287 0.009 0.000 0.802 245 K CB 2.908 35.282 32.500 -0.211 0.000 1.171 245 K HN 0.065 nan 8.250 nan 0.000 0.426 246 P HA 0.120 nan 4.420 nan 0.000 0.274 246 P C -1.141 176.211 177.300 0.086 0.000 1.246 246 P CA -0.567 62.562 63.100 0.049 0.000 0.795 246 P CB 0.735 32.445 31.700 0.017 0.000 1.006 247 L N 1.795 123.074 121.223 0.093 0.000 2.362 247 L HA 0.527 4.867 4.340 0.001 0.000 0.275 247 L C -1.287 175.611 176.870 0.047 0.000 0.998 247 L CA -0.979 53.928 54.840 0.111 0.000 0.820 247 L CB 1.539 43.670 42.059 0.120 0.000 1.270 247 L HN 0.167 nan 8.230 nan 0.000 0.415 248 L N 6.189 127.442 121.223 0.050 0.000 2.298 248 L HA 0.584 4.924 4.340 0.001 0.000 0.284 248 L C -1.128 175.756 176.870 0.022 0.000 1.013 248 L CA -0.201 54.646 54.840 0.012 0.000 0.824 248 L CB 1.039 43.114 42.059 0.027 0.000 1.221 248 L HN 0.423 nan 8.230 nan 0.000 0.418 249 I N 7.227 127.790 120.570 -0.012 0.000 2.297 249 I HA 0.252 4.423 4.170 0.001 0.000 0.291 249 I C 0.064 176.195 176.117 0.023 0.000 1.033 249 I CA -0.057 61.247 61.300 0.007 0.000 1.253 249 I CB 0.884 38.882 38.000 -0.003 0.000 1.396 249 I HN 0.580 nan 8.210 nan 0.000 0.476 250 I N 6.228 126.822 120.570 0.039 0.000 2.620 250 I HA 0.382 4.553 4.170 0.001 0.000 0.280 250 I C 0.560 176.691 176.117 0.024 0.000 1.143 250 I CA -0.168 61.163 61.300 0.051 0.000 1.163 250 I CB 0.681 38.710 38.000 0.048 0.000 1.461 250 I HN 0.600 nan 8.210 nan 0.000 0.530 251 A N 3.087 125.926 122.820 0.032 0.000 2.284 251 A HA 0.388 4.709 4.320 0.001 0.000 0.317 251 A C 1.190 178.793 177.584 0.032 0.000 1.120 251 A CA -0.463 51.589 52.037 0.025 0.000 0.900 251 A CB 0.925 19.943 19.000 0.029 0.000 1.319 251 A HN 0.634 nan 8.150 nan 0.000 0.494 252 E N -0.872 119.345 120.200 0.029 0.000 2.209 252 E HA -0.121 4.229 4.350 0.001 0.000 0.196 252 E C -0.517 176.114 176.600 0.051 0.000 0.993 252 E CA 1.484 57.906 56.400 0.037 0.000 0.819 252 E CB 0.105 29.826 29.700 0.034 0.000 0.745 252 E HN 0.648 nan 8.360 nan 0.000 0.477 253 D N -2.286 118.144 120.400 0.051 0.000 2.954 253 D HA 0.022 4.663 4.640 0.001 0.000 0.260 253 D C -1.978 174.358 176.300 0.060 0.000 1.072 253 D CA -0.444 53.592 54.000 0.060 0.000 0.735 253 D CB 1.116 41.951 40.800 0.058 0.000 1.934 253 D HN -0.133 nan 8.370 nan 0.000 0.458 254 V N 3.062 123.020 119.914 0.075 0.000 2.326 254 V HA 0.409 4.530 4.120 0.001 0.000 0.281 254 V C 0.188 176.334 176.094 0.087 0.000 1.015 254 V CA -0.584 61.764 62.300 0.081 0.000 0.823 254 V CB 1.130 33.013 31.823 0.100 0.000 1.009 254 V HN 0.440 nan 8.190 nan 0.000 0.436 255 E N 2.698 122.939 120.200 0.069 0.000 2.345 255 E HA 0.387 4.738 4.350 0.001 0.000 0.259 255 E C 1.442 178.079 176.600 0.061 0.000 1.117 255 E CA 0.149 56.586 56.400 0.062 0.000 0.913 255 E CB 1.083 30.812 29.700 0.048 0.000 1.057 255 E HN 0.672 nan 8.360 nan 0.000 0.432 256 G N 1.786 110.618 108.800 0.055 0.000 2.864 256 G HA2 -0.452 3.509 3.960 0.001 0.000 0.250 256 G HA3 -0.452 3.509 3.960 0.001 0.000 0.250 256 G C 1.294 176.218 174.900 0.040 0.000 1.154 256 G CA 1.451 46.579 45.100 0.046 0.000 0.755 256 G HN 0.673 nan 8.290 nan 0.000 0.697 257 E N 1.031 121.251 120.200 0.032 0.000 2.072 257 E HA -0.271 4.080 4.350 0.001 0.000 0.218 257 E C 2.971 179.591 176.600 0.033 0.000 1.051 257 E CA 2.174 58.589 56.400 0.026 0.000 0.880 257 E CB -0.923 28.791 29.700 0.023 0.000 0.783 257 E HN 0.432 nan 8.360 nan 0.000 0.473 258 A N 0.917 123.763 122.820 0.043 0.000 1.877 258 A HA -0.184 4.137 4.320 0.001 0.000 0.216 258 A C 2.363 179.992 177.584 0.076 0.000 1.186 258 A CA 1.758 53.827 52.037 0.053 0.000 0.620 258 A CB -0.842 18.191 19.000 0.054 0.000 0.822 258 A HN 0.354 nan 8.150 nan 0.000 0.443 259 L N -0.100 121.178 121.223 0.092 0.000 1.989 259 L HA -0.119 4.222 4.340 0.001 0.000 0.211 259 L C 2.737 179.660 176.870 0.089 0.000 1.071 259 L CA 2.381 57.302 54.840 0.136 0.000 0.749 259 L CB -0.920 41.225 42.059 0.144 0.000 0.890 259 L HN 0.368 nan 8.230 nan 0.000 0.431 260 A N -1.677 121.167 122.820 0.041 0.000 1.917 260 A HA -0.264 4.057 4.320 0.001 0.000 0.219 260 A C 2.265 179.835 177.584 -0.023 0.000 1.182 260 A CA 2.553 54.585 52.037 -0.010 0.000 0.633 260 A CB -1.298 17.696 19.000 -0.010 0.000 0.819 260 A HN 0.564 nan 8.150 nan 0.000 0.448 261 T N 0.454 115.014 114.554 0.009 0.000 2.737 261 T HA -0.074 4.277 4.350 0.001 0.000 0.265 261 T C 1.822 176.536 174.700 0.023 0.000 1.038 261 T CA 1.443 63.548 62.100 0.009 0.000 1.144 261 T CB -0.417 68.465 68.868 0.023 0.000 0.866 261 T HN 0.391 nan 8.240 nan 0.000 0.434 262 L N 0.888 122.156 121.223 0.074 0.000 2.042 262 L HA -0.112 4.228 4.340 0.001 0.000 0.210 262 L C 2.681 179.610 176.870 0.099 0.000 1.076 262 L CA 0.978 55.904 54.840 0.144 0.000 0.749 262 L CB -0.870 41.352 42.059 0.273 0.000 0.893 262 L HN 0.150 nan 8.230 nan 0.000 0.432 263 V N -0.760 119.132 119.914 -0.037 0.000 2.343 263 V HA -0.229 3.891 4.120 0.001 0.000 0.247 263 V C 2.383 178.344 176.094 -0.221 0.000 1.051 263 V CA 1.509 63.647 62.300 -0.270 0.000 1.036 263 V CB -0.282 31.316 31.823 -0.375 0.000 0.654 263 V HN 0.212 nan 8.190 nan 0.000 0.451 264 V N 0.464 120.288 119.914 -0.150 0.000 2.323 264 V HA -0.224 3.897 4.120 0.001 0.000 0.244 264 V C 2.071 178.123 176.094 -0.070 0.000 1.041 264 V CA 2.279 64.502 62.300 -0.128 0.000 1.025 264 V CB -0.952 30.814 31.823 -0.095 0.000 0.656 264 V HN 0.607 nan 8.190 nan 0.000 0.451 265 N N 0.715 119.398 118.700 -0.028 0.000 2.058 265 N HA -0.171 4.570 4.740 0.001 0.000 0.191 265 N C 1.885 177.403 175.510 0.014 0.000 1.037 265 N CA 1.880 54.931 53.050 0.001 0.000 0.848 265 N CB -0.297 38.204 38.487 0.024 0.000 1.021 265 N HN 0.634 nan 8.380 nan 0.000 0.422 266 T N -1.058 113.520 114.554 0.040 0.000 3.051 266 T HA -0.057 4.294 4.350 0.001 0.000 0.269 266 T C 1.634 176.348 174.700 0.024 0.000 1.127 266 T CA 0.629 62.769 62.100 0.066 0.000 1.107 266 T CB -0.054 68.909 68.868 0.159 0.000 0.898 266 T HN 0.053 nan 8.240 nan 0.000 0.517 267 M N 0.782 120.366 119.600 -0.027 0.000 2.447 267 M HA 0.287 4.768 4.480 0.001 0.000 0.264 267 M C 1.718 177.999 176.300 -0.032 0.000 1.095 267 M CA 0.958 56.225 55.300 -0.055 0.000 1.125 267 M CB -0.006 32.517 32.600 -0.128 0.000 1.389 267 M HN 0.063 nan 8.290 nan 0.000 0.459 268 R N -0.899 119.589 120.500 -0.021 0.000 2.552 268 R HA 0.385 4.726 4.340 0.001 0.000 0.314 268 R C 1.020 177.321 176.300 0.001 0.000 1.041 268 R CA 0.477 56.570 56.100 -0.013 0.000 1.076 268 R CB -0.092 30.199 30.300 -0.016 0.000 1.290 268 R HN 0.516 nan 8.270 nan 0.000 0.563 269 G N 1.679 110.485 108.800 0.010 0.000 2.228 269 G HA2 -0.312 3.649 3.960 0.001 0.000 0.270 269 G HA3 -0.312 3.649 3.960 0.001 0.000 0.270 269 G C 0.380 175.294 174.900 0.023 0.000 0.976 269 G CA 0.096 45.207 45.100 0.019 0.000 0.636 269 G HN 0.373 nan 8.290 nan 0.000 0.542 270 I N 1.777 122.360 120.570 0.021 0.000 2.455 270 I HA 0.330 4.500 4.170 0.001 0.000 0.303 270 I C 0.853 176.992 176.117 0.037 0.000 1.180 270 I CA -0.136 61.178 61.300 0.024 0.000 1.469 270 I CB -0.229 37.781 38.000 0.016 0.000 1.480 270 I HN 0.152 nan 8.210 nan 0.000 0.669 271 V N 4.284 124.223 119.914 0.042 0.000 3.565 271 V HA -0.236 3.885 4.120 0.001 0.000 0.508 271 V C -0.039 176.096 176.094 0.068 0.000 0.682 271 V CA 0.311 62.644 62.300 0.055 0.000 2.059 271 V CB -0.896 30.961 31.823 0.056 0.000 2.484 271 V HN 0.725 nan 8.190 nan 0.000 0.510 272 K N 4.201 124.643 120.400 0.070 0.000 2.267 272 K HA 0.722 5.043 4.320 0.001 0.000 0.282 272 K C -0.521 176.130 176.600 0.085 0.000 1.078 272 K CA -0.245 56.091 56.287 0.081 0.000 0.903 272 K CB 1.611 34.149 32.500 0.063 0.000 1.111 272 K HN 0.561 nan 8.250 nan 0.000 0.475 273 V N 1.512 121.493 119.914 0.112 0.000 2.760 273 V HA 0.810 4.931 4.120 0.001 0.000 0.309 273 V C -0.857 175.232 176.094 -0.008 0.000 1.077 273 V CA -1.115 61.226 62.300 0.068 0.000 0.910 273 V CB 2.032 33.906 31.823 0.084 0.000 1.008 273 V HN 0.760 nan 8.190 nan 0.000 0.424 274 A N 2.976 125.657 122.820 -0.231 0.000 2.386 274 A HA 1.016 5.337 4.320 0.001 0.000 0.311 274 A C -0.450 176.780 177.584 -0.590 0.000 1.068 274 A CA -0.273 51.312 52.037 -0.753 0.000 0.743 274 A CB 1.866 20.610 19.000 -0.428 0.000 1.258 274 A HN 1.551 nan 8.150 nan 0.000 0.429 275 A N 0.917 123.244 122.820 -0.822 0.000 2.365 275 A HA 0.841 5.162 4.320 0.001 0.000 0.318 275 A C -0.414 177.092 177.584 -0.130 0.000 1.091 275 A CA -0.120 51.745 52.037 -0.286 0.000 0.763 275 A CB 1.297 20.230 19.000 -0.111 0.000 1.248 275 A HN 2.307 nan 8.150 nan 0.000 0.442 276 V N -0.615 119.293 119.914 -0.011 0.000 2.971 276 V HA 0.615 4.736 4.120 0.001 0.000 0.309 276 V C -0.554 175.605 176.094 0.108 0.000 1.130 276 V CA -1.220 61.116 62.300 0.059 0.000 0.964 276 V CB 1.473 33.335 31.823 0.064 0.000 1.029 276 V HN 0.887 nan 8.190 nan 0.000 0.427 277 K N 1.987 122.458 120.400 0.118 0.000 2.276 277 K HA 0.661 4.982 4.320 0.001 0.000 0.259 277 K C 0.403 177.096 176.600 0.154 0.000 1.001 277 K CA 0.305 56.662 56.287 0.116 0.000 0.927 277 K CB 1.072 33.632 32.500 0.100 0.000 0.969 277 K HN 1.134 nan 8.250 nan 0.000 0.490 278 A N 3.325 126.192 122.820 0.079 0.000 2.371 278 A HA 0.272 4.593 4.320 0.001 0.000 0.257 278 A C -2.097 175.497 177.584 0.016 0.000 1.089 278 A CA -1.367 50.667 52.037 -0.005 0.000 0.794 278 A CB -0.242 18.735 19.000 -0.038 0.000 1.029 278 A HN 0.465 nan 8.150 nan 0.000 0.488 279 P HA 0.328 nan 4.420 nan 0.000 0.269 279 P C 0.734 178.057 177.300 0.038 0.000 1.209 279 P CA 1.520 64.626 63.100 0.009 0.000 0.776 279 P CB 0.506 32.113 31.700 -0.155 0.000 0.876 280 G N 2.160 111.035 108.800 0.125 0.000 2.697 280 G HA2 -0.043 3.917 3.960 0.001 0.000 0.240 280 G HA3 -0.043 3.917 3.960 0.001 0.000 0.240 280 G C -0.780 174.301 174.900 0.302 0.000 1.346 280 G CA 0.104 45.325 45.100 0.201 0.000 0.887 280 G HN 0.779 nan 8.290 nan 0.000 0.569 281 F N -2.833 117.126 119.950 0.016 0.000 2.741 281 F HA 0.798 5.325 4.527 0.001 0.000 0.313 281 F C 0.947 176.758 175.800 0.018 0.000 1.153 281 F CA 0.319 58.329 58.000 0.017 0.000 0.931 281 F CB 0.815 39.830 39.000 0.026 0.000 1.335 281 F HN 2.526 nan 8.300 nan 0.000 0.460 282 G N 1.335 110.050 108.800 -0.142 0.000 2.550 282 G HA2 -0.283 3.678 3.960 0.001 0.000 0.277 282 G HA3 -0.283 3.678 3.960 0.001 0.000 0.277 282 G C 0.303 175.090 174.900 -0.189 0.000 1.190 282 G CA 0.620 45.579 45.100 -0.235 0.000 0.971 282 G HN 0.898 nan 8.290 nan 0.000 0.559 283 D N 1.069 121.348 120.400 -0.202 0.000 2.077 283 D HA -0.109 4.532 4.640 0.001 0.000 0.196 283 D C 2.528 178.747 176.300 -0.135 0.000 0.986 283 D CA 1.760 55.680 54.000 -0.133 0.000 0.829 283 D CB -0.388 40.347 40.800 -0.108 0.000 0.983 283 D HN 0.733 nan 8.370 nan 0.000 0.453 284 R N 1.499 121.894 120.500 -0.175 0.000 2.185 284 R HA -0.161 4.179 4.340 0.001 0.000 0.247 284 R C 2.218 178.448 176.300 -0.117 0.000 1.159 284 R CA 1.323 57.337 56.100 -0.143 0.000 0.988 284 R CB -0.530 29.672 30.300 -0.163 0.000 0.871 284 R HN 0.119 nan 8.270 nan 0.000 0.458 285 R N 1.608 122.036 120.500 -0.120 0.000 2.094 285 R HA -0.168 4.173 4.340 0.001 0.000 0.239 285 R C 1.731 177.987 176.300 -0.074 0.000 1.137 285 R CA 2.255 58.311 56.100 -0.074 0.000 0.943 285 R CB -0.130 30.148 30.300 -0.037 0.000 0.850 285 R HN 0.339 nan 8.270 nan 0.000 0.433 286 K N -0.006 120.353 120.400 -0.068 0.000 2.057 286 K HA -0.103 4.218 4.320 0.001 0.000 0.207 286 K C 2.192 178.753 176.600 -0.065 0.000 1.049 286 K CA 1.474 57.725 56.287 -0.059 0.000 0.931 286 K CB -0.220 32.250 32.500 -0.049 0.000 0.714 286 K HN 0.274 nan 8.250 nan 0.000 0.440 287 A N 1.378 124.157 122.820 -0.070 0.000 1.902 287 A HA -0.162 4.159 4.320 0.001 0.000 0.217 287 A C 2.155 179.693 177.584 -0.076 0.000 1.181 287 A CA 1.583 53.580 52.037 -0.067 0.000 0.623 287 A CB -0.469 18.489 19.000 -0.069 0.000 0.818 287 A HN 0.193 nan 8.150 nan 0.000 0.443 288 M N -1.053 118.493 119.600 -0.091 0.000 2.200 288 M HA 0.012 4.493 4.480 0.001 0.000 0.265 288 M C 2.188 178.403 176.300 -0.142 0.000 1.066 288 M CA 1.082 56.314 55.300 -0.114 0.000 1.127 288 M CB -0.338 32.188 32.600 -0.125 0.000 1.379 288 M HN 0.435 nan 8.290 nan 0.000 0.420 289 L N 0.286 121.430 121.223 -0.132 0.000 2.187 289 L HA -0.256 4.085 4.340 0.001 0.000 0.213 289 L C 2.525 179.335 176.870 -0.099 0.000 1.100 289 L CA 1.320 56.080 54.840 -0.134 0.000 0.765 289 L CB -0.177 41.824 42.059 -0.095 0.000 0.904 289 L HN 0.339 nan 8.230 nan 0.000 0.437 290 Q N -0.079 119.674 119.800 -0.078 0.000 2.137 290 Q HA -0.187 4.154 4.340 0.001 0.000 0.198 290 Q C 1.705 177.672 176.000 -0.056 0.000 0.960 290 Q CA 1.636 57.405 55.803 -0.057 0.000 0.847 290 Q CB -0.079 28.631 28.738 -0.047 0.000 0.915 290 Q HN 0.430 nan 8.270 nan 0.000 0.448 291 D N 0.012 120.372 120.400 -0.067 0.000 2.149 291 D HA -0.161 4.480 4.640 0.001 0.000 0.198 291 D C 1.800 178.068 176.300 -0.054 0.000 0.990 291 D CA 1.317 55.283 54.000 -0.056 0.000 0.839 291 D CB -0.023 40.739 40.800 -0.063 0.000 0.948 291 D HN 0.393 nan 8.370 nan 0.000 0.460 292 I N 1.207 121.729 120.570 -0.081 0.000 2.252 292 I HA -0.214 3.957 4.170 0.001 0.000 0.245 292 I C 2.613 178.711 176.117 -0.032 0.000 1.102 292 I CA 0.740 61.999 61.300 -0.067 0.000 1.385 292 I CB -0.248 37.677 38.000 -0.126 0.000 1.064 292 I HN -0.091 nan 8.210 nan 0.000 0.414 293 A N 0.773 123.572 122.820 -0.036 0.000 1.858 293 A HA -0.215 4.105 4.320 0.001 0.000 0.216 293 A C 2.387 179.966 177.584 -0.008 0.000 1.190 293 A CA 2.557 54.584 52.037 -0.017 0.000 0.617 293 A CB -1.212 17.775 19.000 -0.021 0.000 0.827 293 A HN 0.368 nan 8.150 nan 0.000 0.443 294 T N 0.310 114.855 114.554 -0.015 0.000 2.803 294 T HA -0.119 4.232 4.350 0.001 0.000 0.269 294 T C 1.769 176.467 174.700 -0.003 0.000 1.052 294 T CA 1.308 63.402 62.100 -0.009 0.000 1.136 294 T CB -0.230 68.629 68.868 -0.014 0.000 0.864 294 T HN 0.288 nan 8.240 nan 0.000 0.467 295 L N 1.749 122.970 121.223 -0.003 0.000 2.095 295 L HA 0.011 4.351 4.340 0.001 0.000 0.204 295 L C 2.399 179.276 176.870 0.013 0.000 1.080 295 L CA 2.116 56.959 54.840 0.005 0.000 0.759 295 L CB -1.280 40.784 42.059 0.008 0.000 0.914 295 L HN 0.412 nan 8.230 nan 0.000 0.439 296 T N -3.816 110.748 114.554 0.017 0.000 3.107 296 T HA 0.220 4.571 4.350 0.001 0.000 0.249 296 T C 1.290 176.009 174.700 0.032 0.000 1.096 296 T CA 0.413 62.530 62.100 0.027 0.000 1.012 296 T CB -0.106 68.784 68.868 0.037 0.000 0.977 296 T HN 0.530 nan 8.240 nan 0.000 0.527 297 G N 0.587 109.400 108.800 0.023 0.000 2.221 297 G HA2 -0.015 3.946 3.960 0.001 0.000 0.265 297 G HA3 -0.015 3.946 3.960 0.001 0.000 0.265 297 G C 0.366 175.284 174.900 0.031 0.000 1.041 297 G CA -0.132 44.983 45.100 0.025 0.000 0.807 297 G HN 1.018 nan 8.290 nan 0.000 0.502 298 G N -1.694 107.122 108.800 0.026 0.000 2.642 298 G HA2 0.764 4.725 3.960 0.001 0.000 0.291 298 G HA3 0.764 4.725 3.960 0.001 0.000 0.291 298 G C -0.411 174.493 174.900 0.008 0.000 1.345 298 G CA 0.218 45.333 45.100 0.025 0.000 1.043 298 G HN 0.699 nan 8.290 nan 0.000 0.528 299 T N 0.104 114.660 114.554 0.003 0.000 2.881 299 T HA 0.393 4.744 4.350 0.001 0.000 0.291 299 T C -0.149 174.546 174.700 -0.009 0.000 0.990 299 T CA -0.291 61.806 62.100 -0.006 0.000 0.976 299 T CB 1.657 70.521 68.868 -0.008 0.000 0.970 299 T HN 0.361 nan 8.240 nan 0.000 0.438 300 V N 4.655 124.561 119.914 -0.014 0.000 2.585 300 V HA 0.190 4.311 4.120 0.001 0.000 0.296 300 V C 0.455 176.540 176.094 -0.014 0.000 1.035 300 V CA -0.016 62.274 62.300 -0.017 0.000 1.084 300 V CB 0.140 31.949 31.823 -0.023 0.000 0.953 300 V HN 0.779 nan 8.190 nan 0.000 0.483 301 I N 5.438 126.001 120.570 -0.012 0.000 2.316 301 I HA 0.227 4.398 4.170 0.001 0.000 0.286 301 I C 0.466 176.578 176.117 -0.009 0.000 1.107 301 I CA 0.108 61.402 61.300 -0.010 0.000 1.219 301 I CB 0.537 38.532 38.000 -0.009 0.000 1.455 301 I HN 0.723 nan 8.210 nan 0.000 0.498 302 S N 2.589 118.284 115.700 -0.010 0.000 2.525 302 S HA 0.372 4.842 4.470 0.001 0.000 0.290 302 S C 0.642 175.238 174.600 -0.006 0.000 1.152 302 S CA -0.811 57.384 58.200 -0.008 0.000 1.072 302 S CB 2.008 65.201 63.200 -0.011 0.000 1.027 302 S HN 0.531 nan 8.310 nan 0.000 0.500 303 E N 1.235 121.433 120.200 -0.003 0.000 2.347 303 E HA -0.111 4.240 4.350 0.001 0.000 0.196 303 E C 1.300 177.898 176.600 -0.003 0.000 1.008 303 E CA 0.691 57.089 56.400 -0.002 0.000 0.852 303 E CB -0.054 29.646 29.700 0.001 0.000 0.783 303 E HN 0.788 nan 8.360 nan 0.000 0.505 304 E N 0.579 120.776 120.200 -0.005 0.000 2.160 304 E HA -0.149 4.201 4.350 0.001 0.000 0.195 304 E C 1.363 177.959 176.600 -0.006 0.000 0.991 304 E CA 0.792 57.188 56.400 -0.006 0.000 0.810 304 E CB 0.015 29.710 29.700 -0.008 0.000 0.742 304 E HN 0.334 nan 8.360 nan 0.000 0.466 305 I N 0.179 120.745 120.570 -0.007 0.000 3.884 305 I HA 0.155 4.326 4.170 0.001 0.000 0.330 305 I C 0.741 176.855 176.117 -0.006 0.000 1.451 305 I CA -0.169 61.127 61.300 -0.007 0.000 1.165 305 I CB 0.139 38.134 38.000 -0.009 0.000 1.097 305 I HN 0.062 nan 8.210 nan 0.000 0.404 306 G N 2.175 110.972 108.800 -0.005 0.000 2.338 306 G HA2 -0.286 3.675 3.960 0.001 0.000 0.296 306 G HA3 -0.286 3.675 3.960 0.001 0.000 0.296 306 G C 0.031 174.928 174.900 -0.005 0.000 1.040 306 G CA 0.155 45.252 45.100 -0.004 0.000 1.004 306 G HN 0.380 nan 8.290 nan 0.000 0.509 307 M N -0.274 119.323 119.600 -0.006 0.000 2.363 307 M HA 0.504 4.985 4.480 0.001 0.000 0.343 307 M C 0.247 176.543 176.300 -0.006 0.000 1.165 307 M CA -0.351 54.945 55.300 -0.007 0.000 1.046 307 M CB 1.667 34.261 32.600 -0.008 0.000 1.648 307 M HN 0.242 nan 8.290 nan 0.000 0.452 308 E N 1.832 122.028 120.200 -0.007 0.000 2.227 308 E HA 0.325 4.676 4.350 0.001 0.000 0.268 308 E C 0.204 176.799 176.600 -0.008 0.000 0.907 308 E CA -0.524 55.873 56.400 -0.006 0.000 0.786 308 E CB 2.298 31.995 29.700 -0.005 0.000 1.191 308 E HN 0.664 nan 8.360 nan 0.000 0.411 309 L N 1.548 122.767 121.223 -0.006 0.000 2.201 309 L HA -0.166 4.175 4.340 0.001 0.000 0.212 309 L C 1.637 178.500 176.870 -0.011 0.000 1.105 309 L CA 1.063 55.899 54.840 -0.007 0.000 0.775 309 L CB -0.238 41.819 42.059 -0.002 0.000 0.913 309 L HN 0.533 nan 8.230 nan 0.000 0.440 310 E N 0.680 120.875 120.200 -0.009 0.000 2.110 310 E HA -0.148 4.202 4.350 0.001 0.000 0.193 310 E C 0.930 177.521 176.600 -0.015 0.000 0.988 310 E CA 1.077 57.471 56.400 -0.010 0.000 0.804 310 E CB -0.066 29.630 29.700 -0.007 0.000 0.745 310 E HN 0.313 nan 8.360 nan 0.000 0.458 311 K N 0.525 120.916 120.400 -0.015 0.000 3.165 311 K HA 0.435 4.756 4.320 0.001 0.000 0.259 311 K C -0.810 175.777 176.600 -0.022 0.000 1.282 311 K CA -0.207 56.069 56.287 -0.017 0.000 1.259 311 K CB 0.765 33.256 32.500 -0.014 0.000 1.546 311 K HN -0.023 nan 8.250 nan 0.000 0.384 312 A N 1.206 124.009 122.820 -0.029 0.000 2.335 312 A HA 0.408 4.729 4.320 0.001 0.000 0.304 312 A C 0.028 177.579 177.584 -0.056 0.000 1.118 312 A CA -0.692 51.323 52.037 -0.038 0.000 0.757 312 A CB 0.788 19.768 19.000 -0.034 0.000 1.188 312 A HN 0.301 nan 8.150 nan 0.000 0.460 313 T N -0.021 114.494 114.554 -0.065 0.000 2.936 313 T HA 0.522 4.873 4.350 0.001 0.000 0.282 313 T C 1.057 175.673 174.700 -0.139 0.000 1.003 313 T CA -0.763 61.283 62.100 -0.090 0.000 1.005 313 T CB 0.588 69.414 68.868 -0.070 0.000 1.097 313 T HN 0.388 nan 8.240 nan 0.000 0.532 314 L N 0.013 121.112 121.223 -0.207 0.000 2.551 314 L HA -0.042 4.299 4.340 0.001 0.000 0.230 314 L C 2.667 179.405 176.870 -0.219 0.000 1.163 314 L CA 1.293 55.916 54.840 -0.362 0.000 0.826 314 L CB -0.583 41.194 42.059 -0.471 0.000 0.943 314 L HN 0.861 nan 8.230 nan 0.000 0.452 315 E N 0.066 120.199 120.200 -0.112 0.000 2.230 315 E HA -0.155 4.196 4.350 0.001 0.000 0.192 315 E C 1.324 177.906 176.600 -0.030 0.000 0.987 315 E CA 0.576 56.947 56.400 -0.048 0.000 0.841 315 E CB 0.305 29.986 29.700 -0.032 0.000 0.783 315 E HN 0.471 nan 8.360 nan 0.000 0.481 316 D N 0.283 120.656 120.400 -0.046 0.000 2.194 316 D HA -0.053 4.588 4.640 0.001 0.000 0.204 316 D C 0.314 176.606 176.300 -0.012 0.000 0.964 316 D CA 0.288 54.272 54.000 -0.027 0.000 0.846 316 D CB 0.138 40.918 40.800 -0.032 0.000 0.962 316 D HN 0.130 nan 8.370 nan 0.000 0.490 317 L N 1.178 122.384 121.223 -0.030 0.000 2.485 317 L HA 0.197 4.538 4.340 0.001 0.000 0.275 317 L C 1.466 178.396 176.870 0.100 0.000 1.207 317 L CA 0.335 55.188 54.840 0.022 0.000 0.855 317 L CB 0.407 42.448 42.059 -0.030 0.000 1.114 317 L HN -0.143 nan 8.230 nan 0.000 0.485 318 G N 1.487 110.354 108.800 0.113 0.000 2.543 318 G HA2 0.541 4.502 3.960 0.001 0.000 0.290 318 G HA3 0.541 4.502 3.960 0.001 0.000 0.290 318 G C -1.007 173.990 174.900 0.162 0.000 1.310 318 G CA -0.238 44.928 45.100 0.109 0.000 1.025 318 G HN 0.586 nan 8.290 nan 0.000 0.502 319 Q N -1.984 117.873 119.800 0.094 0.000 2.479 319 Q HA 0.546 4.887 4.340 0.001 0.000 0.276 319 Q C -1.514 174.487 176.000 0.001 0.000 0.989 319 Q CA -0.744 55.083 55.803 0.040 0.000 0.864 319 Q CB 2.030 30.786 28.738 0.031 0.000 1.444 319 Q HN 1.049 nan 8.270 nan 0.000 0.388 320 A N 2.141 124.942 122.820 -0.032 0.000 2.572 320 A HA 0.441 4.761 4.320 0.001 0.000 0.295 320 A C -0.469 177.086 177.584 -0.048 0.000 1.072 320 A CA -0.609 51.413 52.037 -0.024 0.000 0.691 320 A CB 1.657 20.657 19.000 0.000 0.000 1.291 320 A HN 0.825 nan 8.150 nan 0.000 0.404 321 K N -0.381 119.997 120.400 -0.036 0.000 2.147 321 K HA -0.066 4.255 4.320 0.001 0.000 0.205 321 K C 0.773 177.350 176.600 -0.039 0.000 1.049 321 K CA 1.511 57.773 56.287 -0.042 0.000 0.936 321 K CB 0.096 32.579 32.500 -0.028 0.000 0.722 321 K HN 0.570 nan 8.250 nan 0.000 0.446 322 R N -0.288 120.196 120.500 -0.026 0.000 2.634 322 R HA 0.203 4.543 4.340 0.001 0.000 0.263 322 R C -2.048 174.245 176.300 -0.012 0.000 1.060 322 R CA -0.612 55.476 56.100 -0.021 0.000 0.898 322 R CB 1.808 32.098 30.300 -0.017 0.000 1.253 322 R HN -0.059 nan 8.270 nan 0.000 0.461 323 V N 0.302 120.209 119.914 -0.011 0.000 2.760 323 V HA 0.827 4.947 4.120 0.001 0.000 0.309 323 V C -1.286 174.800 176.094 -0.012 0.000 1.077 323 V CA -0.697 61.598 62.300 -0.008 0.000 0.910 323 V CB 2.029 33.852 31.823 0.001 0.000 1.008 323 V HN 0.440 nan 8.190 nan 0.000 0.424 324 V N 5.644 125.544 119.914 -0.024 0.000 2.656 324 V HA 0.661 4.782 4.120 0.001 0.000 0.307 324 V C -0.276 175.792 176.094 -0.044 0.000 1.051 324 V CA -0.431 61.858 62.300 -0.019 0.000 0.893 324 V CB 1.770 33.584 31.823 -0.016 0.000 0.999 324 V HN 1.064 nan 8.190 nan 0.000 0.426 325 I N 0.979 121.546 120.570 -0.005 0.000 2.499 325 I HA 0.677 4.847 4.170 0.001 0.000 0.288 325 I C -0.425 175.731 176.117 0.066 0.000 1.048 325 I CA -0.543 60.745 61.300 -0.020 0.000 1.062 325 I CB 1.988 39.986 38.000 -0.005 0.000 1.238 325 I HN 0.426 nan 8.210 nan 0.000 0.426 326 N N 4.825 123.495 118.700 -0.050 0.000 2.531 326 N HA 0.204 4.945 4.740 0.001 0.000 0.301 326 N C 0.717 175.997 175.510 -0.383 0.000 1.310 326 N CA -0.601 52.424 53.050 -0.041 0.000 0.949 326 N CB 0.638 39.080 38.487 -0.075 0.000 1.111 326 N HN 0.686 nan 8.380 nan 0.000 0.565 327 K N 0.121 120.303 120.400 -0.364 0.000 2.211 327 K HA -0.132 4.189 4.320 0.001 0.000 0.203 327 K C -0.566 175.708 176.600 -0.542 0.000 1.050 327 K CA 1.609 57.498 56.287 -0.663 0.000 0.945 327 K CB 0.001 32.399 32.500 -0.170 0.000 0.732 327 K HN 0.599 nan 8.250 nan 0.000 0.451 328 D N -1.069 119.134 120.400 -0.329 0.000 2.996 328 D HA 0.123 4.764 4.640 0.001 0.000 0.343 328 D C -1.066 175.115 176.300 -0.198 0.000 1.574 328 D CA -0.498 53.362 54.000 -0.234 0.000 0.773 328 D CB 0.845 41.555 40.800 -0.150 0.000 1.241 328 D HN -0.167 nan 8.370 nan 0.000 0.469 329 T N -0.287 114.122 114.554 -0.240 0.000 3.193 329 T HA 0.526 4.877 4.350 0.001 0.000 0.332 329 T C -1.164 173.339 174.700 -0.330 0.000 1.208 329 T CA -0.458 61.489 62.100 -0.255 0.000 1.080 329 T CB 2.084 70.847 68.868 -0.174 0.000 1.180 329 T HN -0.071 nan 8.240 nan 0.000 0.469 330 T N 2.298 116.515 114.554 -0.563 0.000 2.812 330 T HA 0.656 5.007 4.350 0.001 0.000 0.282 330 T C -0.532 173.851 174.700 -0.529 0.000 0.990 330 T CA -0.480 61.244 62.100 -0.627 0.000 0.960 330 T CB 1.624 69.866 68.868 -1.043 0.000 0.948 330 T HN 0.573 nan 8.240 nan 0.000 0.438 331 T N 3.937 118.348 114.554 -0.238 0.000 2.840 331 T HA 0.624 4.974 4.350 0.001 0.000 0.287 331 T C -0.640 174.044 174.700 -0.028 0.000 0.991 331 T CA -0.632 61.406 62.100 -0.105 0.000 0.964 331 T CB 0.141 68.966 68.868 -0.072 0.000 0.954 331 T HN 0.473 nan 8.240 nan 0.000 0.438 332 I N 6.579 127.172 120.570 0.038 0.000 2.312 332 I HA 0.419 4.590 4.170 0.001 0.000 0.290 332 I C -0.161 175.975 176.117 0.032 0.000 1.008 332 I CA -0.704 60.627 61.300 0.052 0.000 1.226 332 I CB 1.181 39.243 38.000 0.103 0.000 1.371 332 I HN 0.537 nan 8.210 nan 0.000 0.468 333 I N 5.799 126.377 120.570 0.014 0.000 2.321 333 I HA 0.222 4.392 4.170 0.001 0.000 0.291 333 I C -0.331 175.788 176.117 0.004 0.000 0.998 333 I CA -0.396 60.909 61.300 0.007 0.000 1.227 333 I CB 1.000 39.000 38.000 -0.001 0.000 1.368 333 I HN 0.607 nan 8.210 nan 0.000 0.466 334 D N 4.834 125.237 120.400 0.006 0.000 3.908 334 D HA -0.109 4.532 4.640 0.001 0.000 0.237 334 D C 0.026 176.327 176.300 0.002 0.000 1.091 334 D CA 0.943 54.944 54.000 0.002 0.000 1.147 334 D CB -0.114 40.684 40.800 -0.004 0.000 0.857 334 D HN 0.825 nan 8.370 nan 0.000 0.410 335 G N 1.212 110.017 108.800 0.008 0.000 2.425 335 G HA2 0.445 4.406 3.960 0.001 0.000 0.302 335 G HA3 0.445 4.406 3.960 0.001 0.000 0.302 335 G C 1.334 176.239 174.900 0.008 0.000 1.159 335 G CA -0.409 44.698 45.100 0.011 0.000 0.865 335 G HN 0.393 nan 8.290 nan 0.000 0.515 336 V N 1.962 121.882 119.914 0.010 0.000 2.626 336 V HA -0.007 4.113 4.120 0.001 0.000 0.252 336 V C 2.268 178.370 176.094 0.014 0.000 1.067 336 V CA 1.168 63.475 62.300 0.012 0.000 1.081 336 V CB -1.263 30.573 31.823 0.021 0.000 0.686 336 V HN 0.871 nan 8.190 nan 0.000 0.468 337 G N 0.956 109.765 108.800 0.015 0.000 2.341 337 G HA2 -0.063 3.897 3.960 0.001 0.000 0.231 337 G HA3 -0.063 3.897 3.960 0.001 0.000 0.231 337 G C -0.120 174.785 174.900 0.008 0.000 1.206 337 G CA -0.105 45.002 45.100 0.012 0.000 0.865 337 G HN 0.575 nan 8.290 nan 0.000 0.515 338 E N 1.573 121.777 120.200 0.007 0.000 2.259 338 E HA 0.089 4.440 4.350 0.001 0.000 0.281 338 E C 0.904 177.505 176.600 0.003 0.000 1.027 338 E CA -0.307 56.096 56.400 0.005 0.000 0.838 338 E CB 1.529 31.232 29.700 0.005 0.000 1.066 338 E HN 0.686 nan 8.360 nan 0.000 0.401 339 E N 1.913 122.115 120.200 0.002 0.000 2.233 339 E HA -0.308 4.043 4.350 0.001 0.000 0.199 339 E C 1.699 178.299 176.600 -0.000 0.000 1.004 339 E CA 1.184 57.584 56.400 0.001 0.000 0.819 339 E CB -0.092 29.608 29.700 0.001 0.000 0.738 339 E HN 0.594 nan 8.360 nan 0.000 0.478 340 A N 1.667 124.487 122.820 -0.000 0.000 1.845 340 A HA -0.096 4.225 4.320 0.001 0.000 0.215 340 A C 2.448 180.031 177.584 -0.002 0.000 1.195 340 A CA 1.722 53.758 52.037 -0.001 0.000 0.616 340 A CB -0.793 18.207 19.000 -0.000 0.000 0.832 340 A HN 0.306 nan 8.150 nan 0.000 0.443 341 A N -0.082 122.737 122.820 -0.002 0.000 1.858 341 A HA -0.097 4.224 4.320 0.001 0.000 0.216 341 A C 2.164 179.745 177.584 -0.005 0.000 1.190 341 A CA 1.613 53.648 52.037 -0.003 0.000 0.617 341 A CB -0.733 18.266 19.000 -0.002 0.000 0.827 341 A HN 0.507 nan 8.150 nan 0.000 0.443 342 I N -0.896 119.672 120.570 -0.003 0.000 2.099 342 I HA -0.310 3.861 4.170 0.001 0.000 0.239 342 I C 2.788 178.902 176.117 -0.006 0.000 1.066 342 I CA 2.006 63.303 61.300 -0.004 0.000 1.324 342 I CB -0.449 37.550 38.000 -0.002 0.000 1.037 342 I HN 0.389 nan 8.210 nan 0.000 0.401 343 Q N 1.344 121.142 119.800 -0.004 0.000 2.234 343 Q HA -0.135 4.205 4.340 0.001 0.000 0.206 343 Q C 1.961 177.957 176.000 -0.006 0.000 0.980 343 Q CA 1.971 57.771 55.803 -0.005 0.000 0.869 343 Q CB -0.633 28.103 28.738 -0.004 0.000 0.912 343 Q HN 0.519 nan 8.270 nan 0.000 0.436 344 G N -0.238 108.558 108.800 -0.007 0.000 2.394 344 G HA2 -0.268 3.693 3.960 0.001 0.000 0.215 344 G HA3 -0.268 3.693 3.960 0.001 0.000 0.215 344 G C 1.546 176.440 174.900 -0.010 0.000 1.165 344 G CA 0.648 45.743 45.100 -0.008 0.000 0.784 344 G HN 0.351 nan 8.290 nan 0.000 0.535 345 R N 0.433 120.926 120.500 -0.011 0.000 2.105 345 R HA -0.033 4.308 4.340 0.001 0.000 0.239 345 R C 2.518 178.809 176.300 -0.016 0.000 1.135 345 R CA 1.544 57.635 56.100 -0.015 0.000 0.967 345 R CB -0.871 29.419 30.300 -0.016 0.000 0.861 345 R HN 0.218 nan 8.270 nan 0.000 0.442 346 V N 0.773 120.679 119.914 -0.013 0.000 2.295 346 V HA -0.234 3.887 4.120 0.001 0.000 0.246 346 V C 2.393 178.480 176.094 -0.013 0.000 1.049 346 V CA 1.993 64.285 62.300 -0.013 0.000 1.024 346 V CB -1.089 30.729 31.823 -0.010 0.000 0.648 346 V HN 0.554 nan 8.190 nan 0.000 0.447 347 A N -0.724 122.089 122.820 -0.011 0.000 1.908 347 A HA -0.312 4.009 4.320 0.001 0.000 0.218 347 A C 2.177 179.753 177.584 -0.013 0.000 1.181 347 A CA 2.157 54.188 52.037 -0.011 0.000 0.627 347 A CB -0.504 18.490 19.000 -0.009 0.000 0.818 347 A HN 0.660 nan 8.150 nan 0.000 0.445 348 Q N -0.425 119.366 119.800 -0.014 0.000 1.975 348 Q HA -0.159 4.181 4.340 0.001 0.000 0.205 348 Q C 2.072 178.061 176.000 -0.019 0.000 0.990 348 Q CA 1.812 57.605 55.803 -0.016 0.000 0.845 348 Q CB -0.429 28.298 28.738 -0.018 0.000 0.913 348 Q HN 0.739 nan 8.270 nan 0.000 0.420 349 I N 0.375 120.931 120.570 -0.022 0.000 2.423 349 I HA -0.275 3.896 4.170 0.001 0.000 0.254 349 I C 2.522 178.625 176.117 -0.023 0.000 1.151 349 I CA 0.980 62.264 61.300 -0.026 0.000 1.421 349 I CB -0.292 37.690 38.000 -0.029 0.000 1.079 349 I HN 0.158 nan 8.210 nan 0.000 0.431 350 R N 0.830 121.319 120.500 -0.019 0.000 2.115 350 R HA -0.148 4.192 4.340 0.001 0.000 0.230 350 R C 2.264 178.555 176.300 -0.015 0.000 1.111 350 R CA 1.253 57.343 56.100 -0.016 0.000 0.976 350 R CB 0.003 30.296 30.300 -0.013 0.000 0.870 350 R HN 0.422 nan 8.270 nan 0.000 0.445 351 Q N -0.660 119.131 119.800 -0.015 0.000 2.187 351 Q HA -0.095 4.246 4.340 0.001 0.000 0.199 351 Q C 1.959 177.950 176.000 -0.015 0.000 0.957 351 Q CA 0.735 56.530 55.803 -0.013 0.000 0.857 351 Q CB 0.234 28.965 28.738 -0.012 0.000 0.929 351 Q HN 0.391 nan 8.270 nan 0.000 0.453 352 Q N 0.582 120.370 119.800 -0.019 0.000 2.112 352 Q HA -0.191 4.150 4.340 0.001 0.000 0.206 352 Q C 2.083 178.070 176.000 -0.022 0.000 0.987 352 Q CA 1.257 57.047 55.803 -0.022 0.000 0.858 352 Q CB -0.300 28.421 28.738 -0.029 0.000 0.905 352 Q HN 0.495 nan 8.270 nan 0.000 0.420 353 I N 1.033 121.590 120.570 -0.022 0.000 2.394 353 I HA -0.225 3.946 4.170 0.001 0.000 0.251 353 I C 2.162 178.271 176.117 -0.014 0.000 1.136 353 I CA 0.852 62.140 61.300 -0.020 0.000 1.425 353 I CB -0.277 37.710 38.000 -0.020 0.000 1.079 353 I HN 0.136 nan 8.210 nan 0.000 0.425 354 E N 1.288 121.481 120.200 -0.012 0.000 2.047 354 E HA -0.194 4.156 4.350 0.001 0.000 0.191 354 E C 1.732 178.328 176.600 -0.007 0.000 0.987 354 E CA 1.215 57.610 56.400 -0.008 0.000 0.799 354 E CB -0.342 29.354 29.700 -0.008 0.000 0.752 354 E HN 0.604 nan 8.360 nan 0.000 0.449 355 E N 1.003 121.198 120.200 -0.008 0.000 2.511 355 E HA 0.148 4.499 4.350 0.001 0.000 0.196 355 E C 0.246 176.843 176.600 -0.006 0.000 1.066 355 E CA -0.050 56.346 56.400 -0.007 0.000 0.871 355 E CB 0.144 29.839 29.700 -0.008 0.000 0.863 355 E HN 0.071 nan 8.360 nan 0.000 0.520 356 A N 1.702 124.518 122.820 -0.007 0.000 2.522 356 A HA 0.066 4.387 4.320 0.001 0.000 0.256 356 A C 1.253 178.839 177.584 0.003 0.000 1.086 356 A CA 0.153 52.187 52.037 -0.004 0.000 0.763 356 A CB -0.056 18.938 19.000 -0.009 0.000 1.024 356 A HN 0.232 nan 8.150 nan 0.000 0.502 357 T N -0.609 113.950 114.554 0.009 0.000 3.069 357 T HA 0.348 4.698 4.350 0.001 0.000 0.252 357 T C 0.529 175.243 174.700 0.022 0.000 1.053 357 T CA 0.478 62.586 62.100 0.013 0.000 0.964 357 T CB -0.098 68.776 68.868 0.011 0.000 1.005 357 T HN 0.767 nan 8.240 nan 0.000 0.532 358 S N -0.232 115.486 115.700 0.031 0.000 2.541 358 S HA 0.368 4.838 4.470 0.001 0.000 0.280 358 S C 0.052 174.687 174.600 0.059 0.000 1.112 358 S CA -0.651 57.581 58.200 0.053 0.000 0.925 358 S CB 1.618 64.867 63.200 0.081 0.000 1.067 358 S HN 0.098 nan 8.310 nan 0.000 0.479 359 D N 2.140 122.582 120.400 0.069 0.000 2.117 359 D HA -0.120 4.520 4.640 0.001 0.000 0.197 359 D C 1.327 177.681 176.300 0.090 0.000 0.987 359 D CA 1.480 55.519 54.000 0.065 0.000 0.829 359 D CB -0.248 40.592 40.800 0.067 0.000 0.961 359 D HN 0.714 nan 8.370 nan 0.000 0.460 360 Y N 2.230 122.532 120.300 0.003 0.000 2.081 360 Y HA -0.248 4.303 4.550 0.001 0.000 0.280 360 Y C 1.627 177.526 175.900 -0.001 0.000 1.163 360 Y CA 1.998 60.101 58.100 0.005 0.000 1.135 360 Y CB -0.450 38.015 38.460 0.008 0.000 0.970 360 Y HN -0.111 nan 8.280 nan 0.000 0.498 361 D N -0.751 119.642 120.400 -0.012 0.000 2.178 361 D HA -0.143 4.497 4.640 0.001 0.000 0.201 361 D C 2.252 178.485 176.300 -0.112 0.000 0.980 361 D CA 1.349 55.287 54.000 -0.103 0.000 0.842 361 D CB -0.252 40.544 40.800 -0.006 0.000 0.948 361 D HN 0.295 nan 8.370 nan 0.000 0.472 362 R N 0.561 121.025 120.500 -0.060 0.000 2.066 362 R HA -0.116 4.224 4.340 0.001 0.000 0.232 362 R C 1.740 177.997 176.300 -0.072 0.000 1.131 362 R CA 1.044 57.115 56.100 -0.048 0.000 0.955 362 R CB 0.140 30.430 30.300 -0.016 0.000 0.851 362 R HN 0.085 nan 8.270 nan 0.000 0.432 363 E N 0.895 121.041 120.200 -0.089 0.000 2.031 363 E HA -0.195 4.155 4.350 0.001 0.000 0.193 363 E C 1.887 178.405 176.600 -0.136 0.000 0.994 363 E CA 1.056 57.401 56.400 -0.092 0.000 0.800 363 E CB -0.168 29.484 29.700 -0.079 0.000 0.752 363 E HN 0.201 nan 8.360 nan 0.000 0.447 364 K N 0.815 121.069 120.400 -0.244 0.000 2.103 364 K HA -0.084 4.237 4.320 0.001 0.000 0.207 364 K C 2.418 178.933 176.600 -0.142 0.000 1.048 364 K CA 0.702 56.847 56.287 -0.237 0.000 0.930 364 K CB -0.572 31.704 32.500 -0.373 0.000 0.716 364 K HN 0.199 nan 8.250 nan 0.000 0.444 365 L N 0.920 122.071 121.223 -0.121 0.000 2.027 365 L HA -0.185 4.155 4.340 0.001 0.000 0.206 365 L C 2.577 179.412 176.870 -0.059 0.000 1.074 365 L CA 1.187 55.979 54.840 -0.080 0.000 0.745 365 L CB -0.440 41.579 42.059 -0.066 0.000 0.898 365 L HN 0.226 nan 8.230 nan 0.000 0.433 366 Q N -0.106 119.661 119.800 -0.055 0.000 2.181 366 Q HA -0.239 4.102 4.340 0.001 0.000 0.205 366 Q C 2.024 178.003 176.000 -0.033 0.000 0.980 366 Q CA 1.425 57.206 55.803 -0.037 0.000 0.862 366 Q CB -0.139 28.580 28.738 -0.031 0.000 0.905 366 Q HN 0.553 nan 8.270 nan 0.000 0.429 367 E N 0.529 120.704 120.200 -0.043 0.000 2.077 367 E HA -0.164 4.187 4.350 0.001 0.000 0.193 367 E C 2.080 178.666 176.600 -0.024 0.000 0.989 367 E CA 0.721 57.103 56.400 -0.031 0.000 0.800 367 E CB 0.023 29.700 29.700 -0.039 0.000 0.746 367 E HN 0.279 nan 8.360 nan 0.000 0.452 368 R N 0.439 120.918 120.500 -0.036 0.000 2.066 368 R HA -0.109 4.232 4.340 0.001 0.000 0.232 368 R C 2.734 179.020 176.300 -0.023 0.000 1.131 368 R CA 1.517 57.598 56.100 -0.032 0.000 0.955 368 R CB -0.602 29.671 30.300 -0.046 0.000 0.851 368 R HN 0.198 nan 8.270 nan 0.000 0.432 369 V N -1.174 118.726 119.914 -0.024 0.000 2.343 369 V HA -0.137 3.984 4.120 0.001 0.000 0.247 369 V C 2.355 178.442 176.094 -0.011 0.000 1.051 369 V CA 1.808 64.097 62.300 -0.018 0.000 1.036 369 V CB -1.086 30.726 31.823 -0.018 0.000 0.654 369 V HN 0.244 nan 8.190 nan 0.000 0.451 370 A N 0.472 123.286 122.820 -0.010 0.000 1.902 370 A HA -0.189 4.132 4.320 0.001 0.000 0.217 370 A C 2.366 179.951 177.584 0.002 0.000 1.181 370 A CA 2.247 54.282 52.037 -0.004 0.000 0.623 370 A CB -0.602 18.396 19.000 -0.004 0.000 0.818 370 A HN 0.612 nan 8.150 nan 0.000 0.443 371 K N -1.212 119.191 120.400 0.005 0.000 2.025 371 K HA -0.060 4.260 4.320 0.001 0.000 0.207 371 K C 1.866 178.474 176.600 0.014 0.000 1.049 371 K CA 1.331 57.628 56.287 0.016 0.000 0.933 371 K CB -0.268 32.247 32.500 0.024 0.000 0.714 371 K HN 0.358 nan 8.250 nan 0.000 0.438 372 L N 0.153 121.378 121.223 0.003 0.000 2.240 372 L HA 0.016 4.357 4.340 0.001 0.000 0.211 372 L C 1.692 178.563 176.870 0.001 0.000 1.106 372 L CA 1.345 56.185 54.840 0.001 0.000 0.793 372 L CB -0.142 41.912 42.059 -0.009 0.000 0.927 372 L HN 0.059 nan 8.230 nan 0.000 0.446 373 A N -1.694 121.126 122.820 -0.001 0.000 2.348 373 A HA 0.386 4.707 4.320 0.001 0.000 0.224 373 A C 2.037 179.622 177.584 0.001 0.000 1.227 373 A CA 0.450 52.487 52.037 -0.001 0.000 0.885 373 A CB -0.695 18.302 19.000 -0.004 0.000 0.933 373 A HN 0.404 nan 8.150 nan 0.000 0.506 374 G N -0.155 108.693 108.800 0.080 0.000 2.403 374 G HA2 0.367 4.328 3.960 0.001 0.000 0.216 374 G HA3 0.367 4.328 3.960 0.001 0.000 0.216 374 G C 1.149 176.072 174.900 0.038 0.000 1.154 374 G CA 0.681 45.814 45.100 0.055 0.000 0.784 374 G HN 1.630 nan 8.290 nan 0.000 0.538 375 G N -1.659 107.169 108.800 0.047 0.000 2.632 375 G HA2 0.029 3.990 3.960 0.001 0.000 0.224 375 G HA3 0.029 3.990 3.960 0.001 0.000 0.224 375 G C -0.721 174.182 174.900 0.004 0.000 1.341 375 G CA -0.224 44.891 45.100 0.025 0.000 0.880 375 G HN 1.106 nan 8.290 nan 0.000 0.566 376 V N 0.385 120.297 119.914 -0.002 0.000 2.567 376 V HA 0.682 4.803 4.120 0.001 0.000 0.298 376 V C 0.628 176.718 176.094 -0.008 0.000 1.047 376 V CA -0.049 62.244 62.300 -0.012 0.000 0.880 376 V CB 1.199 33.011 31.823 -0.019 0.000 1.009 376 V HN 2.171 nan 8.190 nan 0.000 0.429 377 A N 4.850 127.665 122.820 -0.008 0.000 2.409 377 A HA 0.696 5.016 4.320 0.001 0.000 0.267 377 A C -0.333 177.247 177.584 -0.006 0.000 1.127 377 A CA -0.158 51.875 52.037 -0.006 0.000 0.795 377 A CB 0.562 19.559 19.000 -0.006 0.000 1.061 377 A HN 0.771 nan 8.150 nan 0.000 0.502 378 V N 4.745 124.656 119.914 -0.004 0.000 2.384 378 V HA 0.317 4.437 4.120 0.001 0.000 0.287 378 V C -0.107 175.986 176.094 -0.002 0.000 1.020 378 V CA -0.203 62.095 62.300 -0.003 0.000 0.850 378 V CB 1.352 33.173 31.823 -0.003 0.000 0.987 378 V HN 0.741 nan 8.190 nan 0.000 0.436 379 I N 5.212 125.781 120.570 -0.001 0.000 2.312 379 I HA 0.380 4.551 4.170 0.001 0.000 0.290 379 I C 0.114 176.231 176.117 0.001 0.000 1.008 379 I CA -0.432 60.868 61.300 -0.000 0.000 1.226 379 I CB 1.093 39.094 38.000 0.001 0.000 1.371 379 I HN 0.505 nan 8.210 nan 0.000 0.468 380 K N 6.061 126.461 120.400 0.000 0.000 2.281 380 K HA 0.414 4.735 4.320 0.001 0.000 0.272 380 K C -0.613 175.987 176.600 0.000 0.000 1.048 380 K CA -0.636 55.652 56.287 0.000 0.000 0.898 380 K CB 1.774 34.274 32.500 -0.000 0.000 1.128 380 K HN 0.319 nan 8.250 nan 0.000 0.460 381 V N 2.848 122.762 119.914 0.001 0.000 2.763 381 V HA 0.001 4.122 4.120 0.001 0.000 0.306 381 V C 1.452 177.546 176.094 -0.000 0.000 1.059 381 V CA -0.054 62.246 62.300 0.001 0.000 1.138 381 V CB 0.710 32.533 31.823 0.001 0.000 0.940 381 V HN 0.950 nan 8.190 nan 0.000 0.489 382 G N 2.399 111.198 108.800 -0.000 0.000 2.518 382 G HA2 0.434 4.395 3.960 0.001 0.000 0.284 382 G HA3 0.434 4.395 3.960 0.001 0.000 0.284 382 G C 0.346 175.245 174.900 -0.001 0.000 1.362 382 G CA 0.466 45.565 45.100 -0.001 0.000 1.065 382 G HN 1.218 nan 8.290 nan 0.000 0.561 383 A N -2.453 120.366 122.820 -0.001 0.000 2.363 383 A HA 0.838 5.159 4.320 0.001 0.000 0.180 383 A C 0.766 178.349 177.584 -0.001 0.000 1.219 383 A CA 1.010 53.047 52.037 -0.001 0.000 1.864 383 A CB -0.490 18.510 19.000 -0.001 0.000 2.313 383 A HN 2.605 nan 8.150 nan 0.000 0.894 384 A N -0.399 122.420 122.820 -0.001 0.000 2.611 384 A HA 0.508 4.829 4.320 0.001 0.000 0.281 384 A C 1.007 178.590 177.584 -0.001 0.000 1.396 384 A CA 1.300 53.337 52.037 -0.001 0.000 0.724 384 A CB -2.601 16.398 19.000 -0.001 0.000 1.126 384 A HN 3.433 nan 8.150 nan 0.000 0.384 385 T N -2.618 111.935 114.554 -0.001 0.000 0.545 385 T HA -0.066 4.284 4.350 0.001 0.000 0.773 385 T C 0.257 174.956 174.700 -0.001 0.000 0.992 385 T CA 1.318 63.417 62.100 -0.001 0.000 4.074 385 T CB -1.121 67.746 68.868 -0.001 0.000 2.301 385 T HN 1.891 nan 8.240 nan 0.000 0.398 386 E N 1.253 121.452 120.200 -0.001 0.000 2.160 386 E HA -0.138 4.212 4.350 0.001 0.000 0.195 386 E C 1.980 178.580 176.600 -0.000 0.000 0.991 386 E CA 2.089 58.488 56.400 -0.001 0.000 0.810 386 E CB -0.105 29.594 29.700 -0.001 0.000 0.742 386 E HN 0.658 nan 8.360 nan 0.000 0.466 387 V N 1.300 121.214 119.914 -0.000 0.000 2.244 387 V HA -0.255 3.866 4.120 0.001 0.000 0.244 387 V C 2.152 178.245 176.094 -0.001 0.000 1.042 387 V CA 2.253 64.553 62.300 0.000 0.000 1.006 387 V CB -0.655 31.168 31.823 0.000 0.000 0.641 387 V HN 0.287 nan 8.190 nan 0.000 0.446 388 E N -0.284 119.915 120.200 -0.001 0.000 2.118 388 E HA -0.255 4.096 4.350 0.001 0.000 0.195 388 E C 2.188 178.787 176.600 -0.001 0.000 0.992 388 E CA 1.449 57.849 56.400 -0.001 0.000 0.804 388 E CB -0.266 29.433 29.700 -0.001 0.000 0.741 388 E HN 0.427 nan 8.360 nan 0.000 0.458 389 M N 1.121 120.720 119.600 -0.001 0.000 2.117 389 M HA -0.159 4.322 4.480 0.001 0.000 0.262 389 M C 1.622 177.921 176.300 -0.000 0.000 1.065 389 M CA 1.538 56.837 55.300 -0.001 0.000 1.114 389 M CB -0.141 32.459 32.600 -0.001 0.000 1.361 389 M HN -0.120 nan 8.290 nan 0.000 0.408 390 K N 0.220 120.620 120.400 -0.000 0.000 2.211 390 K HA -0.142 4.178 4.320 0.001 0.000 0.203 390 K C 1.855 178.454 176.600 -0.001 0.000 1.050 390 K CA 1.144 57.431 56.287 -0.000 0.000 0.945 390 K CB -0.454 32.046 32.500 0.000 0.000 0.732 390 K HN 0.592 nan 8.250 nan 0.000 0.451 391 E N 1.469 121.668 120.200 -0.001 0.000 2.016 391 E HA -0.166 4.185 4.350 0.001 0.000 0.190 391 E C 2.046 178.645 176.600 -0.002 0.000 0.985 391 E CA 0.964 57.363 56.400 -0.002 0.000 0.802 391 E CB 0.075 29.774 29.700 -0.002 0.000 0.762 391 E HN 0.125 nan 8.360 nan 0.000 0.448 392 K N 1.016 121.415 120.400 -0.001 0.000 2.152 392 K HA -0.221 4.100 4.320 0.001 0.000 0.206 392 K C 2.234 178.834 176.600 0.001 0.000 1.048 392 K CA 1.532 57.819 56.287 -0.001 0.000 0.933 392 K CB -0.061 32.439 32.500 -0.001 0.000 0.721 392 K HN -0.037 nan 8.250 nan 0.000 0.447 393 K N 0.055 120.455 120.400 0.001 0.000 2.057 393 K HA -0.135 4.186 4.320 0.001 0.000 0.207 393 K C 1.943 178.544 176.600 0.003 0.000 1.049 393 K CA 1.204 57.492 56.287 0.002 0.000 0.931 393 K CB -0.162 32.339 32.500 0.002 0.000 0.714 393 K HN 0.223 nan 8.250 nan 0.000 0.440 394 A N 1.536 124.356 122.820 0.001 0.000 1.877 394 A HA -0.167 4.154 4.320 0.001 0.000 0.216 394 A C 2.099 179.683 177.584 -0.000 0.000 1.186 394 A CA 1.466 53.503 52.037 -0.001 0.000 0.620 394 A CB -0.498 18.499 19.000 -0.005 0.000 0.822 394 A HN 0.320 nan 8.150 nan 0.000 0.443 395 R N -0.682 119.817 120.500 -0.000 0.000 2.083 395 R HA -0.107 4.234 4.340 0.001 0.000 0.237 395 R C 2.047 178.351 176.300 0.007 0.000 1.137 395 R CA 1.559 57.660 56.100 0.001 0.000 0.951 395 R CB -0.670 29.629 30.300 -0.001 0.000 0.851 395 R HN 0.403 nan 8.270 nan 0.000 0.434 396 V N 1.343 121.261 119.914 0.008 0.000 2.407 396 V HA -0.239 3.881 4.120 0.001 0.000 0.248 396 V C 2.034 178.140 176.094 0.020 0.000 1.055 396 V CA 1.813 64.120 62.300 0.011 0.000 1.049 396 V CB -0.466 31.362 31.823 0.008 0.000 0.662 396 V HN 0.363 nan 8.190 nan 0.000 0.455 397 E N -0.111 120.101 120.200 0.021 0.000 2.051 397 E HA -0.223 4.128 4.350 0.001 0.000 0.192 397 E C 2.026 178.659 176.600 0.055 0.000 0.991 397 E CA 1.526 57.946 56.400 0.034 0.000 0.799 397 E CB -0.170 29.544 29.700 0.023 0.000 0.748 397 E HN 0.626 nan 8.360 nan 0.000 0.449 398 D N 0.354 120.774 120.400 0.032 0.000 2.097 398 D HA -0.113 4.527 4.640 0.001 0.000 0.197 398 D C 1.958 178.296 176.300 0.063 0.000 0.984 398 D CA 1.195 55.215 54.000 0.033 0.000 0.826 398 D CB -0.240 40.557 40.800 -0.005 0.000 0.973 398 D HN 0.133 nan 8.370 nan 0.000 0.460 399 A N 1.116 123.960 122.820 0.040 0.000 1.908 399 A HA -0.177 4.144 4.320 0.001 0.000 0.218 399 A C 2.181 179.792 177.584 0.046 0.000 1.181 399 A CA 1.113 53.172 52.037 0.036 0.000 0.627 399 A CB -0.708 18.304 19.000 0.019 0.000 0.818 399 A HN 0.225 nan 8.150 nan 0.000 0.445 400 L N -0.841 120.411 121.223 0.049 0.000 2.017 400 L HA -0.177 4.163 4.340 0.001 0.000 0.208 400 L C 2.408 179.306 176.870 0.047 0.000 1.073 400 L CA 2.669 57.531 54.840 0.037 0.000 0.745 400 L CB -0.900 41.177 42.059 0.030 0.000 0.894 400 L HN 0.621 nan 8.230 nan 0.000 0.432 401 H N -0.212 118.855 119.070 -0.004 0.000 2.352 401 H HA -0.152 4.405 4.556 0.001 0.000 0.299 401 H C 1.906 177.233 175.328 -0.002 0.000 1.097 401 H CA 1.860 57.906 56.048 -0.004 0.000 1.311 401 H CB 0.090 29.850 29.762 -0.004 0.000 1.377 401 H HN 0.478 nan 8.280 nan 0.000 0.504 402 A N -0.242 122.696 122.820 0.197 0.000 1.898 402 A HA -0.114 4.207 4.320 0.001 0.000 0.216 402 A C 2.676 180.289 177.584 0.048 0.000 1.181 402 A CA 1.891 54.007 52.037 0.131 0.000 0.620 402 A CB -0.903 18.150 19.000 0.089 0.000 0.819 402 A HN 0.512 nan 8.150 nan 0.000 0.442 403 T N -0.595 113.975 114.554 0.028 0.000 2.867 403 T HA -0.109 4.241 4.350 0.001 0.000 0.268 403 T C 2.135 176.826 174.700 -0.015 0.000 1.057 403 T CA 1.223 63.326 62.100 0.006 0.000 1.136 403 T CB -0.220 68.651 68.868 0.005 0.000 0.874 403 T HN 0.295 nan 8.240 nan 0.000 0.466 404 R N 1.505 121.979 120.500 -0.042 0.000 2.081 404 R HA 0.103 4.444 4.340 0.001 0.000 0.235 404 R C 2.567 178.825 176.300 -0.071 0.000 1.131 404 R CA 1.712 57.768 56.100 -0.074 0.000 0.960 404 R CB -1.032 29.186 30.300 -0.137 0.000 0.856 404 R HN 0.415 nan 8.270 nan 0.000 0.436 405 A N 0.516 123.292 122.820 -0.074 0.000 1.902 405 A HA -0.080 4.241 4.320 0.001 0.000 0.217 405 A C 2.378 179.956 177.584 -0.010 0.000 1.181 405 A CA 1.933 53.947 52.037 -0.038 0.000 0.623 405 A CB -0.751 18.251 19.000 0.002 0.000 0.818 405 A HN 0.423 nan 8.150 nan 0.000 0.443 406 A N -0.578 122.241 122.820 -0.001 0.000 1.908 406 A HA -0.037 4.283 4.320 0.001 0.000 0.218 406 A C 2.216 179.799 177.584 -0.001 0.000 1.181 406 A CA 1.862 53.902 52.037 0.004 0.000 0.627 406 A CB -0.935 18.070 19.000 0.007 0.000 0.818 406 A HN 0.413 nan 8.150 nan 0.000 0.445 407 V N 0.020 119.929 119.914 -0.008 0.000 2.407 407 V HA -0.257 3.864 4.120 0.001 0.000 0.248 407 V C 2.390 178.480 176.094 -0.008 0.000 1.055 407 V CA 2.239 64.535 62.300 -0.008 0.000 1.049 407 V CB -0.793 31.022 31.823 -0.013 0.000 0.662 407 V HN 0.642 nan 8.190 nan 0.000 0.455 408 E N -0.063 120.129 120.200 -0.013 0.000 2.047 408 E HA -0.105 4.246 4.350 0.001 0.000 0.191 408 E C 0.596 177.194 176.600 -0.003 0.000 0.987 408 E CA 0.855 57.248 56.400 -0.010 0.000 0.799 408 E CB 0.094 29.784 29.700 -0.017 0.000 0.752 408 E HN 0.654 nan 8.360 nan 0.000 0.449 409 E N -0.165 120.035 120.200 0.000 0.000 2.224 409 E HA 0.330 4.681 4.350 0.001 0.000 0.265 409 E C -0.128 176.476 176.600 0.006 0.000 0.878 409 E CA -0.638 55.765 56.400 0.004 0.000 0.759 409 E CB 1.924 31.628 29.700 0.006 0.000 1.164 409 E HN 0.153 nan 8.360 nan 0.000 0.414 410 G N 1.403 110.207 108.800 0.007 0.000 2.587 410 G HA2 0.059 4.019 3.960 0.001 0.000 0.666 410 G HA3 0.059 4.019 3.960 0.001 0.000 0.666 410 G C 0.137 175.043 174.900 0.010 0.000 1.239 410 G CA 0.406 45.510 45.100 0.008 0.000 1.353 410 G HN 0.436 nan 8.290 nan 0.000 0.780 411 V N -3.253 116.667 119.914 0.011 0.000 3.040 411 V HA 0.861 4.981 4.120 0.001 0.000 0.312 411 V C 0.049 176.151 176.094 0.013 0.000 1.115 411 V CA -0.294 62.013 62.300 0.012 0.000 0.998 411 V CB 1.331 33.160 31.823 0.011 0.000 1.042 411 V HN 1.473 nan 8.190 nan 0.000 0.433 412 V N -0.937 118.986 119.914 0.015 0.000 3.130 412 V HA 1.010 5.130 4.120 0.001 0.000 0.310 412 V C 0.482 176.586 176.094 0.017 0.000 1.158 412 V CA -0.717 61.594 62.300 0.017 0.000 1.029 412 V CB 1.254 33.088 31.823 0.018 0.000 1.057 412 V HN 2.089 nan 8.190 nan 0.000 0.436 413 A N 1.015 123.847 122.820 0.020 0.000 2.546 413 A HA 0.602 4.922 4.320 0.001 0.000 0.243 413 A C 0.912 178.505 177.584 0.014 0.000 1.063 413 A CA 0.748 52.796 52.037 0.018 0.000 0.757 413 A CB -0.549 18.467 19.000 0.026 0.000 0.991 413 A HN 1.962 nan 8.150 nan 0.000 0.503 414 G N 0.647 109.450 108.800 0.006 0.000 2.531 414 G HA2 0.518 4.479 3.960 0.001 0.000 0.253 414 G HA3 0.518 4.479 3.960 0.001 0.000 0.253 414 G C 1.162 176.064 174.900 0.003 0.000 1.439 414 G CA -0.054 45.049 45.100 0.004 0.000 1.056 414 G HN 2.256 nan 8.290 nan 0.000 0.555 415 G N -1.994 106.806 108.800 0.001 0.000 2.233 415 G HA2 0.198 4.159 3.960 0.001 0.000 0.270 415 G HA3 0.198 4.159 3.960 0.001 0.000 0.270 415 G C 1.533 176.445 174.900 0.020 0.000 1.011 415 G CA 1.264 46.368 45.100 0.006 0.000 0.762 415 G HN 2.465 nan 8.290 nan 0.000 0.511 416 G N -2.396 106.415 108.800 0.019 0.000 2.189 416 G HA2 -0.132 3.829 3.960 0.001 0.000 0.267 416 G HA3 -0.132 3.829 3.960 0.001 0.000 0.267 416 G C 1.904 176.821 174.900 0.027 0.000 0.975 416 G CA 1.932 47.045 45.100 0.022 0.000 0.644 416 G HN 2.206 nan 8.290 nan 0.000 0.537 417 V N -0.866 119.065 119.914 0.028 0.000 2.548 417 V HA 0.320 4.441 4.120 0.001 0.000 0.249 417 V C 2.811 178.927 176.094 0.037 0.000 1.055 417 V CA 2.202 64.525 62.300 0.037 0.000 1.065 417 V CB -0.616 31.230 31.823 0.039 0.000 0.681 417 V HN 1.447 nan 8.190 nan 0.000 0.462 418 A N 0.813 123.651 122.820 0.030 0.000 1.873 418 A HA -0.156 4.165 4.320 0.001 0.000 0.218 418 A C 2.235 179.835 177.584 0.026 0.000 1.193 418 A CA 2.444 54.498 52.037 0.028 0.000 0.629 418 A CB -0.861 18.153 19.000 0.023 0.000 0.826 418 A HN 0.621 nan 8.150 nan 0.000 0.447 419 L N -0.812 120.425 121.223 0.024 0.000 2.131 419 L HA -0.145 4.195 4.340 0.001 0.000 0.210 419 L C 2.459 179.344 176.870 0.024 0.000 1.092 419 L CA 0.938 55.791 54.840 0.021 0.000 0.759 419 L CB -0.400 41.670 42.059 0.020 0.000 0.903 419 L HN 0.403 nan 8.230 nan 0.000 0.435 420 I N -0.864 119.723 120.570 0.029 0.000 2.252 420 I HA -0.221 3.949 4.170 0.001 0.000 0.245 420 I C 2.674 178.813 176.117 0.036 0.000 1.102 420 I CA 0.728 62.048 61.300 0.033 0.000 1.385 420 I CB -0.172 37.853 38.000 0.042 0.000 1.064 420 I HN 0.246 nan 8.210 nan 0.000 0.414 421 R N 0.296 120.820 120.500 0.040 0.000 2.081 421 R HA -0.086 4.254 4.340 0.001 0.000 0.235 421 R C 2.238 178.555 176.300 0.028 0.000 1.131 421 R CA 1.037 57.161 56.100 0.039 0.000 0.960 421 R CB -1.082 29.244 30.300 0.042 0.000 0.856 421 R HN 0.245 nan 8.270 nan 0.000 0.436 422 V N 1.412 121.340 119.914 0.024 0.000 2.295 422 V HA -0.232 3.888 4.120 0.001 0.000 0.246 422 V C 2.564 178.667 176.094 0.016 0.000 1.049 422 V CA 1.900 64.211 62.300 0.018 0.000 1.024 422 V CB -0.936 30.895 31.823 0.014 0.000 0.648 422 V HN 0.321 nan 8.190 nan 0.000 0.447 423 A N 0.842 123.672 122.820 0.017 0.000 1.908 423 A HA -0.249 4.072 4.320 0.001 0.000 0.218 423 A C 2.555 180.148 177.584 0.015 0.000 1.181 423 A CA 2.557 54.603 52.037 0.015 0.000 0.627 423 A CB -0.866 18.144 19.000 0.016 0.000 0.818 423 A HN 0.710 nan 8.150 nan 0.000 0.445 424 S N -0.093 115.618 115.700 0.019 0.000 2.399 424 S HA -0.155 4.316 4.470 0.001 0.000 0.231 424 S C 1.727 176.336 174.600 0.014 0.000 1.022 424 S CA 1.445 59.655 58.200 0.018 0.000 0.983 424 S CB -0.385 62.830 63.200 0.024 0.000 0.803 424 S HN 0.614 nan 8.310 nan 0.000 0.480 425 K N 0.813 121.222 120.400 0.014 0.000 2.365 425 K HA 0.195 4.515 4.320 0.001 0.000 0.199 425 K C 1.162 177.767 176.600 0.008 0.000 1.045 425 K CA 0.655 56.949 56.287 0.011 0.000 0.962 425 K CB -0.255 32.252 32.500 0.012 0.000 0.759 425 K HN 0.449 nan 8.250 nan 0.000 0.469 426 L N -0.080 121.148 121.223 0.008 0.000 2.700 426 L HA 0.197 4.538 4.340 0.001 0.000 0.234 426 L C 1.885 178.758 176.870 0.006 0.000 1.156 426 L CA -0.212 54.631 54.840 0.006 0.000 0.946 426 L CB -0.101 41.961 42.059 0.005 0.000 1.216 426 L HN 0.043 nan 8.230 nan 0.000 0.493 427 A N 0.266 123.090 122.820 0.006 0.000 2.032 427 A HA -0.211 4.110 4.320 0.001 0.000 0.221 427 A C 1.605 179.191 177.584 0.004 0.000 1.165 427 A CA 1.782 53.822 52.037 0.006 0.000 0.645 427 A CB -0.216 18.787 19.000 0.006 0.000 0.807 427 A HN 0.379 nan 8.150 nan 0.000 0.453 428 D N -1.275 119.127 120.400 0.003 0.000 2.349 428 D HA 0.160 4.801 4.640 0.001 0.000 0.214 428 D C 0.200 176.501 176.300 0.002 0.000 1.063 428 D CA -0.267 53.735 54.000 0.003 0.000 0.847 428 D CB -0.011 40.790 40.800 0.002 0.000 0.933 428 D HN 0.350 nan 8.370 nan 0.000 0.513 429 L N 1.920 123.144 121.223 0.002 0.000 2.490 429 L HA 0.089 4.430 4.340 0.001 0.000 0.274 429 L C 0.145 177.016 176.870 0.002 0.000 1.201 429 L CA 0.609 55.450 54.840 0.002 0.000 0.869 429 L CB 0.167 42.227 42.059 0.002 0.000 1.123 429 L HN -0.214 nan 8.230 nan 0.000 0.484 430 R N 3.012 123.512 120.500 0.001 0.000 2.855 430 R HA 0.719 5.059 4.340 0.001 0.000 0.266 430 R C -0.262 176.039 176.300 0.001 0.000 1.034 430 R CA -0.336 55.765 56.100 0.001 0.000 0.944 430 R CB 1.463 31.764 30.300 0.001 0.000 1.219 430 R HN 0.809 nan 8.270 nan 0.000 0.474 431 G N -0.426 108.374 108.800 0.001 0.000 3.119 431 G HA2 0.217 4.178 3.960 0.001 0.000 0.206 431 G HA3 0.217 4.178 3.960 0.001 0.000 0.206 431 G C 0.017 174.917 174.900 0.001 0.000 1.313 431 G CA -0.259 44.842 45.100 0.001 0.000 1.010 431 G HN 0.401 nan 8.290 nan 0.000 0.578 432 Q N -0.435 119.366 119.800 0.001 0.000 2.378 432 Q HA 0.107 4.448 4.340 0.001 0.000 0.205 432 Q C 0.106 176.106 176.000 0.001 0.000 0.954 432 Q CA 0.976 56.780 55.803 0.001 0.000 0.901 432 Q CB 0.051 28.790 28.738 0.001 0.000 0.981 432 Q HN 0.604 nan 8.270 nan 0.000 0.483 433 N N -3.141 115.559 118.700 0.001 0.000 3.106 433 N HA 0.191 4.932 4.740 0.001 0.000 0.253 433 N C 0.268 175.779 175.510 0.002 0.000 1.506 433 N CA 0.112 53.163 53.050 0.002 0.000 0.876 433 N CB 0.112 38.600 38.487 0.002 0.000 1.452 433 N HN -0.167 nan 8.380 nan 0.000 0.542 434 E N -0.159 120.042 120.200 0.002 0.000 2.058 434 E HA -0.207 4.144 4.350 0.001 0.000 0.194 434 E C 0.963 177.564 176.600 0.002 0.000 0.997 434 E CA 2.097 58.498 56.400 0.002 0.000 0.801 434 E CB -1.235 28.466 29.700 0.002 0.000 0.746 434 E HN 0.668 nan 8.360 nan 0.000 0.450 435 D N 0.080 120.481 120.400 0.003 0.000 2.149 435 D HA -0.144 4.497 4.640 0.001 0.000 0.198 435 D C 2.136 178.438 176.300 0.003 0.000 0.990 435 D CA 1.393 55.395 54.000 0.003 0.000 0.839 435 D CB -0.298 40.505 40.800 0.004 0.000 0.948 435 D HN 0.589 nan 8.370 nan 0.000 0.460 436 Q N -0.055 119.747 119.800 0.003 0.000 2.167 436 Q HA -0.071 4.269 4.340 0.001 0.000 0.202 436 Q C 1.736 177.737 176.000 0.002 0.000 0.970 436 Q CA 0.601 56.405 55.803 0.003 0.000 0.855 436 Q CB 0.074 28.813 28.738 0.002 0.000 0.911 436 Q HN 0.236 nan 8.270 nan 0.000 0.438 437 N N -0.063 118.639 118.700 0.002 0.000 2.188 437 N HA -0.110 4.631 4.740 0.001 0.000 0.184 437 N C 1.815 177.327 175.510 0.003 0.000 1.018 437 N CA 0.876 53.928 53.050 0.002 0.000 0.858 437 N CB -0.176 38.313 38.487 0.002 0.000 0.989 437 N HN 0.042 nan 8.380 nan 0.000 0.426 438 V N 0.854 120.770 119.914 0.003 0.000 2.343 438 V HA -0.135 3.986 4.120 0.001 0.000 0.247 438 V C 2.441 178.537 176.094 0.004 0.000 1.051 438 V CA 1.981 64.283 62.300 0.003 0.000 1.036 438 V CB -1.219 30.607 31.823 0.003 0.000 0.654 438 V HN 0.324 nan 8.190 nan 0.000 0.451 439 G N -0.084 108.718 108.800 0.004 0.000 2.440 439 G HA2 -0.245 3.715 3.960 0.001 0.000 0.218 439 G HA3 -0.245 3.715 3.960 0.001 0.000 0.218 439 G C 1.591 176.493 174.900 0.004 0.000 1.154 439 G CA 1.123 46.226 45.100 0.004 0.000 0.767 439 G HN 0.487 nan 8.290 nan 0.000 0.552 440 I N 0.284 120.856 120.570 0.003 0.000 2.179 440 I HA -0.146 4.024 4.170 0.001 0.000 0.242 440 I C 2.699 178.818 176.117 0.004 0.000 1.088 440 I CA 1.039 62.340 61.300 0.003 0.000 1.357 440 I CB -0.053 37.949 38.000 0.002 0.000 1.051 440 I HN -0.008 nan 8.210 nan 0.000 0.409 441 K N 0.436 120.838 120.400 0.004 0.000 2.097 441 K HA -0.073 4.248 4.320 0.001 0.000 0.206 441 K C 2.130 178.733 176.600 0.005 0.000 1.049 441 K CA 0.988 57.278 56.287 0.005 0.000 0.933 441 K CB -0.747 31.756 32.500 0.004 0.000 0.717 441 K HN 0.204 nan 8.250 nan 0.000 0.442 442 V N 1.696 121.613 119.914 0.005 0.000 2.287 442 V HA -0.276 3.844 4.120 0.001 0.000 0.248 442 V C 2.470 178.568 176.094 0.006 0.000 1.053 442 V CA 2.115 64.418 62.300 0.006 0.000 1.027 442 V CB -0.817 31.010 31.823 0.006 0.000 0.646 442 V HN 0.307 nan 8.190 nan 0.000 0.447 443 A N -0.356 122.467 122.820 0.006 0.000 1.902 443 A HA -0.135 4.185 4.320 0.001 0.000 0.217 443 A C 2.177 179.765 177.584 0.007 0.000 1.181 443 A CA 1.736 53.776 52.037 0.006 0.000 0.623 443 A CB -0.525 18.477 19.000 0.004 0.000 0.818 443 A HN 0.516 nan 8.150 nan 0.000 0.443 444 L N -1.439 119.788 121.223 0.007 0.000 2.141 444 L HA -0.129 4.212 4.340 0.001 0.000 0.209 444 L C 2.790 179.666 176.870 0.009 0.000 1.094 444 L CA 1.431 56.276 54.840 0.008 0.000 0.763 444 L CB -0.507 41.557 42.059 0.008 0.000 0.908 444 L HN 0.411 nan 8.230 nan 0.000 0.437 445 R N 0.302 120.807 120.500 0.008 0.000 2.073 445 R HA -0.087 4.254 4.340 0.001 0.000 0.229 445 R C 2.382 178.688 176.300 0.009 0.000 1.120 445 R CA 1.223 57.328 56.100 0.008 0.000 0.967 445 R CB -0.184 30.120 30.300 0.007 0.000 0.862 445 R HN 0.315 nan 8.270 nan 0.000 0.436 446 A N 0.432 123.257 122.820 0.009 0.000 2.070 446 A HA -0.144 4.177 4.320 0.001 0.000 0.220 446 A C 1.991 179.582 177.584 0.012 0.000 1.159 446 A CA 1.145 53.188 52.037 0.010 0.000 0.656 446 A CB -0.360 18.646 19.000 0.011 0.000 0.800 446 A HN 0.309 nan 8.150 nan 0.000 0.453 447 M N -0.734 118.873 119.600 0.012 0.000 2.549 447 M HA -0.109 4.372 4.480 0.001 0.000 0.260 447 M C 1.437 177.747 176.300 0.016 0.000 1.076 447 M CA 1.059 56.367 55.300 0.014 0.000 1.090 447 M CB -0.158 32.450 32.600 0.014 0.000 1.418 447 M HN 0.480 nan 8.290 nan 0.000 0.486 448 E N -0.044 120.164 120.200 0.014 0.000 2.400 448 E HA 0.046 4.397 4.350 0.001 0.000 0.195 448 E C 2.072 178.679 176.600 0.012 0.000 1.012 448 E CA 0.445 56.854 56.400 0.015 0.000 0.875 448 E CB 0.074 29.782 29.700 0.013 0.000 0.859 448 E HN 0.466 nan 8.360 nan 0.000 0.498 449 A N 2.513 125.339 122.820 0.011 0.000 1.903 449 A HA -0.166 4.154 4.320 0.001 0.000 0.219 449 A C -0.311 177.279 177.584 0.010 0.000 1.191 449 A CA 1.480 53.522 52.037 0.009 0.000 0.638 449 A CB -1.469 17.536 19.000 0.010 0.000 0.823 449 A HN 0.137 nan 8.150 nan 0.000 0.451 450 P HA -0.161 nan 4.420 nan 0.000 0.214 450 P C 1.822 179.130 177.300 0.014 0.000 1.163 450 P CA 1.090 64.198 63.100 0.014 0.000 0.883 450 P CB -0.138 31.571 31.700 0.016 0.000 0.788 451 L N -0.770 120.462 121.223 0.016 0.000 2.046 451 L HA -0.167 4.174 4.340 0.001 0.000 0.208 451 L C 2.414 179.287 176.870 0.005 0.000 1.077 451 L CA 1.715 56.566 54.840 0.018 0.000 0.747 451 L CB -0.288 41.784 42.059 0.021 0.000 0.896 451 L HN -0.194 nan 8.230 nan 0.000 0.432 452 R N -0.818 119.682 120.500 -0.000 0.000 2.096 452 R HA -0.205 4.136 4.340 0.001 0.000 0.235 452 R C 2.310 178.605 176.300 -0.008 0.000 1.127 452 R CA 1.557 57.650 56.100 -0.011 0.000 0.968 452 R CB -0.296 30.000 30.300 -0.007 0.000 0.861 452 R HN 0.378 nan 8.270 nan 0.000 0.440 453 Q N 0.993 120.794 119.800 0.001 0.000 2.123 453 Q HA -0.024 4.316 4.340 0.001 0.000 0.199 453 Q C 1.787 177.791 176.000 0.006 0.000 0.966 453 Q CA 1.339 57.144 55.803 0.002 0.000 0.845 453 Q CB -0.030 28.710 28.738 0.004 0.000 0.907 453 Q HN 0.328 nan 8.270 nan 0.000 0.439 454 I N -0.775 119.803 120.570 0.013 0.000 2.226 454 I HA -0.261 3.909 4.170 0.001 0.000 0.245 454 I C 1.949 178.088 176.117 0.036 0.000 1.100 454 I CA 0.875 62.190 61.300 0.025 0.000 1.374 454 I CB -0.215 37.806 38.000 0.035 0.000 1.057 454 I HN 0.063 nan 8.210 nan 0.000 0.413 455 V N 0.531 120.458 119.914 0.022 0.000 2.307 455 V HA -0.271 3.849 4.120 0.001 0.000 0.245 455 V C 2.381 178.472 176.094 -0.006 0.000 1.045 455 V CA 1.563 63.861 62.300 -0.003 0.000 1.024 455 V CB -0.517 31.242 31.823 -0.106 0.000 0.651 455 V HN 0.342 nan 8.190 nan 0.000 0.449 456 L N 0.927 122.143 121.223 -0.011 0.000 2.042 456 L HA -0.173 4.168 4.340 0.001 0.000 0.210 456 L C 2.147 179.018 176.870 0.002 0.000 1.076 456 L CA 1.960 56.796 54.840 -0.008 0.000 0.749 456 L CB -0.908 41.147 42.059 -0.007 0.000 0.893 456 L HN 0.333 nan 8.230 nan 0.000 0.432 457 N N -1.338 117.367 118.700 0.007 0.000 2.381 457 N HA -0.141 4.600 4.740 0.001 0.000 0.182 457 N C 1.763 177.282 175.510 0.014 0.000 1.025 457 N CA 1.461 54.516 53.050 0.009 0.000 0.888 457 N CB -0.641 37.850 38.487 0.008 0.000 0.965 457 N HN 0.432 nan 8.380 nan 0.000 0.438 458 C N -0.755 118.561 119.300 0.026 0.000 2.468 458 C HA 0.207 4.667 4.460 0.001 0.000 0.277 458 C C 1.767 176.774 174.990 0.028 0.000 1.400 458 C CA 0.635 59.675 59.018 0.038 0.000 1.770 458 C CB -1.009 26.784 27.740 0.088 0.000 1.905 458 C HN 0.635 nan 8.230 nan 0.000 0.519 459 G N 0.395 109.205 108.800 0.016 0.000 2.144 459 G HA2 -0.143 3.817 3.960 0.001 0.000 0.218 459 G HA3 -0.143 3.817 3.960 0.001 0.000 0.218 459 G C -0.180 174.724 174.900 0.007 0.000 0.988 459 G CA 0.096 45.202 45.100 0.010 0.000 0.659 459 G HN 0.464 nan 8.290 nan 0.000 0.522 460 E N 0.317 120.517 120.200 0.000 0.000 2.302 460 E HA 0.489 4.840 4.350 0.001 0.000 0.255 460 E C 0.173 176.747 176.600 -0.043 0.000 1.099 460 E CA -0.643 55.743 56.400 -0.024 0.000 0.929 460 E CB 0.543 30.210 29.700 -0.055 0.000 1.203 460 E HN 0.495 nan 8.360 nan 0.000 0.459 461 E N 1.374 121.540 120.200 -0.058 0.000 2.081 461 E HA 0.148 4.499 4.350 0.001 0.000 0.281 461 E C -1.774 174.782 176.600 -0.072 0.000 0.986 461 E CA -1.645 54.725 56.400 -0.049 0.000 0.796 461 E CB 1.110 30.791 29.700 -0.030 0.000 1.085 461 E HN 0.118 nan 8.360 nan 0.000 0.398 462 P HA -0.210 nan 4.420 nan 0.000 0.214 462 P C 1.149 178.422 177.300 -0.045 0.000 1.163 462 P CA 1.241 64.307 63.100 -0.057 0.000 0.889 462 P CB 0.311 31.991 31.700 -0.032 0.000 0.790 463 S N -1.058 114.625 115.700 -0.028 0.000 2.382 463 S HA -0.101 4.370 4.470 0.001 0.000 0.228 463 S C 1.959 176.550 174.600 -0.014 0.000 1.027 463 S CA 1.102 59.293 58.200 -0.016 0.000 0.991 463 S CB -1.079 62.115 63.200 -0.010 0.000 0.823 463 S HN -0.063 nan 8.310 nan 0.000 0.469 464 V N 1.224 121.126 119.914 -0.020 0.000 2.270 464 V HA -0.118 4.003 4.120 0.001 0.000 0.245 464 V C 2.308 178.404 176.094 0.003 0.000 1.043 464 V CA 1.436 63.731 62.300 -0.008 0.000 1.014 464 V CB -0.720 31.098 31.823 -0.007 0.000 0.645 464 V HN 0.332 nan 8.190 nan 0.000 0.447 465 V N 0.378 120.265 119.914 -0.046 0.000 2.343 465 V HA -0.252 3.869 4.120 0.001 0.000 0.247 465 V C 2.723 178.831 176.094 0.024 0.000 1.051 465 V CA 1.990 64.259 62.300 -0.051 0.000 1.036 465 V CB -1.201 30.385 31.823 -0.395 0.000 0.654 465 V HN 0.551 nan 8.190 nan 0.000 0.451 466 A N 0.533 123.347 122.820 -0.009 0.000 1.883 466 A HA -0.322 3.998 4.320 0.001 0.000 0.217 466 A C 2.081 179.690 177.584 0.042 0.000 1.186 466 A CA 2.486 54.534 52.037 0.019 0.000 0.624 466 A CB -0.938 18.064 19.000 0.004 0.000 0.822 466 A HN 0.619 nan 8.150 nan 0.000 0.444 467 N N -0.743 117.974 118.700 0.029 0.000 2.104 467 N HA -0.131 4.610 4.740 0.001 0.000 0.190 467 N C 1.667 177.201 175.510 0.040 0.000 1.024 467 N CA 2.367 55.433 53.050 0.027 0.000 0.853 467 N CB -0.371 38.123 38.487 0.011 0.000 1.008 467 N HN 0.414 nan 8.380 nan 0.000 0.424 468 T N -0.619 113.965 114.554 0.050 0.000 2.777 468 T HA -0.047 4.303 4.350 0.001 0.000 0.266 468 T C 1.942 176.744 174.700 0.169 0.000 1.040 468 T CA 1.152 63.273 62.100 0.034 0.000 1.141 468 T CB -0.339 68.461 68.868 -0.113 0.000 0.868 468 T HN 0.021 nan 8.240 nan 0.000 0.444 469 V N 1.731 121.776 119.914 0.218 0.000 2.295 469 V HA -0.160 3.961 4.120 0.001 0.000 0.246 469 V C 2.441 178.668 176.094 0.222 0.000 1.049 469 V CA 1.502 63.958 62.300 0.261 0.000 1.024 469 V CB -0.482 31.440 31.823 0.165 0.000 0.648 469 V HN 0.467 nan 8.190 nan 0.000 0.447 470 K N 0.327 120.805 120.400 0.129 0.000 2.209 470 K HA -0.114 4.206 4.320 0.001 0.000 0.204 470 K C 2.206 178.851 176.600 0.074 0.000 1.048 470 K CA 1.320 57.660 56.287 0.089 0.000 0.940 470 K CB -0.555 31.978 32.500 0.054 0.000 0.729 470 K HN 0.581 nan 8.250 nan 0.000 0.451 471 G N 1.334 110.177 108.800 0.072 0.000 2.418 471 G HA2 -0.147 3.814 3.960 0.001 0.000 0.217 471 G HA3 -0.147 3.814 3.960 0.001 0.000 0.217 471 G C 0.955 175.844 174.900 -0.018 0.000 1.158 471 G CA 0.907 46.018 45.100 0.018 0.000 0.771 471 G HN 0.402 nan 8.290 nan 0.000 0.545 472 G N -0.076 108.730 108.800 0.010 0.000 2.666 472 G HA2 0.482 4.443 3.960 0.001 0.000 0.207 472 G HA3 0.482 4.443 3.960 0.001 0.000 0.207 472 G C -0.441 174.472 174.900 0.021 0.000 1.481 472 G CA 0.472 45.493 45.100 -0.132 0.000 1.071 472 G HN 0.503 nan 8.290 nan 0.000 0.572 473 D N -4.089 116.342 120.400 0.052 0.000 2.738 473 D HA 0.492 5.133 4.640 0.001 0.000 0.308 473 D C 0.552 176.917 176.300 0.110 0.000 1.311 473 D CA 0.533 54.581 54.000 0.079 0.000 0.799 473 D CB 0.374 41.190 40.800 0.027 0.000 1.332 473 D HN 1.732 nan 8.370 nan 0.000 0.441 474 G N 0.404 109.253 108.800 0.083 0.000 2.550 474 G HA2 -0.341 3.619 3.960 0.001 0.000 0.277 474 G HA3 -0.341 3.619 3.960 0.001 0.000 0.277 474 G C 0.234 175.197 174.900 0.106 0.000 1.190 474 G CA 0.383 45.531 45.100 0.080 0.000 0.971 474 G HN 0.785 nan 8.290 nan 0.000 0.559 475 N N 0.019 118.783 118.700 0.106 0.000 2.434 475 N HA 0.184 4.925 4.740 0.001 0.000 0.196 475 N C 0.218 175.812 175.510 0.141 0.000 1.183 475 N CA -0.094 53.016 53.050 0.099 0.000 0.849 475 N CB 0.129 38.659 38.487 0.071 0.000 0.992 475 N HN 0.458 nan 8.380 nan 0.000 0.460 476 Y N 1.573 121.907 120.300 0.056 0.000 2.569 476 Y HA 0.319 4.869 4.550 0.001 0.000 0.332 476 Y C 0.630 176.601 175.900 0.117 0.000 1.120 476 Y CA -0.023 58.127 58.100 0.083 0.000 1.416 476 Y CB 0.119 38.622 38.460 0.071 0.000 1.210 476 Y HN -0.021 nan 8.280 nan 0.000 0.528 477 G N 4.229 112.826 108.800 -0.339 0.000 2.721 477 G HA2 0.279 4.240 3.960 0.001 0.000 0.296 477 G HA3 0.279 4.240 3.960 0.001 0.000 0.296 477 G C -2.455 172.324 174.900 -0.200 0.000 1.383 477 G CA -0.918 44.059 45.100 -0.204 0.000 0.788 477 G HN 0.490 nan 8.290 nan 0.000 0.500 478 Y N 1.514 121.654 120.300 -0.266 0.000 2.331 478 Y HA 0.543 5.094 4.550 0.001 0.000 0.338 478 Y C -0.012 175.721 175.900 -0.278 0.000 0.976 478 Y CA -1.398 56.448 58.100 -0.423 0.000 1.137 478 Y CB 1.424 39.615 38.460 -0.448 0.000 1.172 478 Y HN 0.416 nan 8.280 nan 0.000 0.478 479 N N 4.784 123.043 118.700 -0.736 0.000 2.415 479 N HA 0.176 4.917 4.740 0.001 0.000 0.246 479 N C 0.378 175.404 175.510 -0.805 0.000 1.078 479 N CA 0.530 53.251 53.050 -0.548 0.000 0.942 479 N CB 1.413 39.677 38.487 -0.373 0.000 1.140 479 N HN 0.907 nan 8.380 nan 0.000 0.501 480 A N 3.632 126.154 122.820 -0.496 0.000 2.067 480 A HA 0.018 4.338 4.320 0.001 0.000 0.219 480 A C 1.985 179.438 177.584 -0.219 0.000 1.158 480 A CA 1.440 53.287 52.037 -0.317 0.000 0.661 480 A CB -0.303 18.667 19.000 -0.051 0.000 0.801 480 A HN 0.706 nan 8.150 nan 0.000 0.452 481 A N -0.294 122.406 122.820 -0.200 0.000 1.897 481 A HA -0.034 4.287 4.320 0.001 0.000 0.215 481 A C 2.314 179.813 177.584 -0.141 0.000 1.181 481 A CA 2.214 54.172 52.037 -0.132 0.000 0.620 481 A CB -0.882 18.056 19.000 -0.104 0.000 0.821 481 A HN 0.737 nan 8.150 nan 0.000 0.443 482 T N -3.693 110.742 114.554 -0.197 0.000 3.040 482 T HA 0.201 4.551 4.350 0.001 0.000 0.250 482 T C 0.183 174.760 174.700 -0.204 0.000 1.058 482 T CA 0.632 62.634 62.100 -0.164 0.000 0.988 482 T CB -0.193 68.590 68.868 -0.142 0.000 0.993 482 T HN 0.531 nan 8.240 nan 0.000 0.519 483 E N 1.266 121.244 120.200 -0.369 0.000 2.416 483 E HA -0.128 4.223 4.350 0.001 0.000 0.249 483 E C -0.901 175.508 176.600 -0.318 0.000 1.124 483 E CA 0.554 56.715 56.400 -0.398 0.000 0.732 483 E CB -1.320 28.351 29.700 -0.049 0.000 1.286 483 E HN 0.661 nan 8.360 nan 0.000 0.394 484 E N -0.201 119.711 120.200 -0.480 0.000 2.317 484 E HA 0.405 4.756 4.350 0.001 0.000 0.270 484 E C -0.437 175.973 176.600 -0.318 0.000 0.885 484 E CA -0.743 55.524 56.400 -0.222 0.000 0.760 484 E CB 1.010 30.649 29.700 -0.103 0.000 1.227 484 E HN 0.045 nan 8.360 nan 0.000 0.434 485 Y N 0.129 120.419 120.300 -0.016 0.000 2.326 485 Y HA 0.602 5.153 4.550 0.001 0.000 0.324 485 Y C 1.267 177.125 175.900 -0.070 0.000 1.291 485 Y CA 0.634 58.685 58.100 -0.082 0.000 1.348 485 Y CB 1.551 40.001 38.460 -0.017 0.000 1.294 485 Y HN 0.678 nan 8.280 nan 0.000 0.525 486 G N 0.576 109.381 108.800 0.008 0.000 2.323 486 G HA2 -0.009 3.951 3.960 0.001 0.000 0.291 486 G HA3 -0.009 3.951 3.960 0.001 0.000 0.291 486 G C -1.891 173.054 174.900 0.074 0.000 1.278 486 G CA -1.158 44.002 45.100 0.099 0.000 0.860 486 G HN 0.518 nan 8.290 nan 0.000 0.504 487 N N 1.158 119.915 118.700 0.095 0.000 2.406 487 N HA 0.141 4.882 4.740 0.001 0.000 0.251 487 N C 1.714 177.242 175.510 0.029 0.000 1.069 487 N CA -0.559 52.542 53.050 0.085 0.000 0.947 487 N CB 0.827 39.364 38.487 0.084 0.000 1.111 487 N HN 0.364 nan 8.380 nan 0.000 0.497 488 M N 3.321 122.929 119.600 0.013 0.000 2.106 488 M HA -0.194 4.287 4.480 0.001 0.000 0.259 488 M C 1.619 177.918 176.300 -0.001 0.000 1.068 488 M CA 1.219 56.513 55.300 -0.010 0.000 1.100 488 M CB -0.663 31.932 32.600 -0.007 0.000 1.351 488 M HN 0.538 nan 8.290 nan 0.000 0.404 489 I N 0.467 121.046 120.570 0.014 0.000 2.202 489 I HA -0.249 3.922 4.170 0.001 0.000 0.242 489 I C 1.908 178.031 176.117 0.010 0.000 1.091 489 I CA 1.420 62.728 61.300 0.013 0.000 1.368 489 I CB -1.699 36.313 38.000 0.020 0.000 1.058 489 I HN 0.237 nan 8.210 nan 0.000 0.410 490 D N 0.608 121.017 120.400 0.016 0.000 2.218 490 D HA -0.151 4.490 4.640 0.001 0.000 0.204 490 D C 2.165 178.466 176.300 0.002 0.000 0.976 490 D CA 1.109 55.116 54.000 0.013 0.000 0.853 490 D CB -0.138 40.675 40.800 0.022 0.000 0.939 490 D HN 0.368 nan 8.370 nan 0.000 0.481 491 M N -0.833 118.764 119.600 -0.006 0.000 2.561 491 M HA 0.161 4.642 4.480 0.001 0.000 0.238 491 M C 0.993 177.279 176.300 -0.023 0.000 1.131 491 M CA 0.412 55.699 55.300 -0.021 0.000 1.046 491 M CB 0.568 33.144 32.600 -0.041 0.000 1.532 491 M HN 0.026 nan 8.290 nan 0.000 0.497 492 G N 2.289 111.080 108.800 -0.014 0.000 2.176 492 G HA2 -0.239 3.721 3.960 0.001 0.000 0.252 492 G HA3 -0.239 3.721 3.960 0.001 0.000 0.252 492 G C -0.059 174.831 174.900 -0.016 0.000 1.024 492 G CA -0.222 44.871 45.100 -0.012 0.000 0.755 492 G HN 0.539 nan 8.290 nan 0.000 0.507 493 I N 1.035 121.593 120.570 -0.019 0.000 2.361 493 I HA 0.454 4.625 4.170 0.001 0.000 0.282 493 I C 0.476 176.587 176.117 -0.010 0.000 1.075 493 I CA -0.484 60.803 61.300 -0.022 0.000 1.205 493 I CB 0.380 38.357 38.000 -0.038 0.000 1.406 493 I HN 0.014 nan 8.210 nan 0.000 0.481 494 L N 4.394 125.615 121.223 -0.004 0.000 2.341 494 L HA 0.703 5.043 4.340 0.001 0.000 0.267 494 L C -0.964 175.911 176.870 0.007 0.000 1.009 494 L CA -0.958 53.884 54.840 0.004 0.000 0.819 494 L CB 2.050 44.112 42.059 0.005 0.000 1.323 494 L HN 0.275 nan 8.230 nan 0.000 0.425 495 D N 0.637 121.044 120.400 0.012 0.000 2.646 495 D HA 0.395 5.035 4.640 0.001 0.000 0.245 495 D C -2.653 173.658 176.300 0.018 0.000 1.099 495 D CA -1.422 52.587 54.000 0.016 0.000 0.849 495 D CB 2.514 43.325 40.800 0.018 0.000 1.448 495 D HN 0.122 nan 8.370 nan 0.000 0.489 496 P HA 0.087 nan 4.420 nan 0.000 0.267 496 P C 0.823 178.136 177.300 0.022 0.000 1.205 496 P CA -0.005 63.107 63.100 0.020 0.000 0.765 496 P CB 0.664 32.379 31.700 0.024 0.000 0.828 497 T N 2.242 116.807 114.554 0.017 0.000 2.849 497 T HA -0.201 4.150 4.350 0.001 0.000 0.270 497 T C 1.593 176.305 174.700 0.019 0.000 1.066 497 T CA 1.256 63.365 62.100 0.016 0.000 1.130 497 T CB -0.255 68.621 68.868 0.012 0.000 0.864 497 T HN 0.498 nan 8.240 nan 0.000 0.481 498 K N 0.828 121.241 120.400 0.022 0.000 2.057 498 K HA -0.073 4.247 4.320 0.001 0.000 0.207 498 K C 2.418 179.044 176.600 0.044 0.000 1.049 498 K CA 1.322 57.626 56.287 0.028 0.000 0.931 498 K CB -0.305 32.211 32.500 0.027 0.000 0.714 498 K HN 0.310 nan 8.250 nan 0.000 0.440 499 V N 0.261 120.204 119.914 0.048 0.000 2.453 499 V HA -0.138 3.982 4.120 0.001 0.000 0.247 499 V C 1.671 177.797 176.094 0.053 0.000 1.048 499 V CA 2.288 64.625 62.300 0.061 0.000 1.049 499 V CB -0.436 31.424 31.823 0.062 0.000 0.672 499 V HN 0.344 nan 8.190 nan 0.000 0.457 500 T N 0.638 115.215 114.554 0.038 0.000 2.708 500 T HA -0.168 4.183 4.350 0.001 0.000 0.266 500 T C 1.964 176.680 174.700 0.027 0.000 1.037 500 T CA 2.079 64.198 62.100 0.031 0.000 1.146 500 T CB -0.394 68.488 68.868 0.023 0.000 0.865 500 T HN 0.594 nan 8.240 nan 0.000 0.435 501 R N 0.949 121.461 120.500 0.020 0.000 2.083 501 R HA -0.102 4.238 4.340 0.001 0.000 0.237 501 R C 2.528 178.826 176.300 -0.004 0.000 1.137 501 R CA 1.811 57.912 56.100 0.002 0.000 0.951 501 R CB -0.360 29.937 30.300 -0.004 0.000 0.851 501 R HN 0.259 nan 8.270 nan 0.000 0.434 502 S N 0.559 116.279 115.700 0.033 0.000 2.368 502 S HA -0.113 4.358 4.470 0.001 0.000 0.225 502 S C 2.037 176.726 174.600 0.148 0.000 1.030 502 S CA 1.108 59.359 58.200 0.084 0.000 0.999 502 S CB -0.264 63.050 63.200 0.190 0.000 0.844 502 S HN 0.575 nan 8.310 nan 0.000 0.459 503 A N 1.514 124.405 122.820 0.119 0.000 1.883 503 A HA -0.092 4.229 4.320 0.001 0.000 0.217 503 A C 2.155 179.788 177.584 0.082 0.000 1.186 503 A CA 1.577 53.681 52.037 0.113 0.000 0.624 503 A CB -0.797 18.245 19.000 0.070 0.000 0.822 503 A HN 0.414 nan 8.150 nan 0.000 0.444 504 L N -0.220 121.026 121.223 0.038 0.000 2.046 504 L HA -0.187 4.154 4.340 0.001 0.000 0.208 504 L C 2.508 179.368 176.870 -0.015 0.000 1.077 504 L CA 2.325 57.172 54.840 0.013 0.000 0.747 504 L CB -0.685 41.374 42.059 0.000 0.000 0.896 504 L HN 0.517 nan 8.230 nan 0.000 0.432 505 Q N -1.867 117.888 119.800 -0.075 0.000 2.079 505 Q HA -0.205 4.136 4.340 0.001 0.000 0.200 505 Q C 2.140 178.024 176.000 -0.192 0.000 0.974 505 Q CA 1.870 57.569 55.803 -0.174 0.000 0.840 505 Q CB -0.302 28.258 28.738 -0.297 0.000 0.898 505 Q HN 0.512 nan 8.270 nan 0.000 0.430 506 Y N 0.267 120.570 120.300 0.006 0.000 2.293 506 Y HA -0.122 4.429 4.550 0.001 0.000 0.291 506 Y C 2.350 178.252 175.900 0.004 0.000 1.137 506 Y CA 0.854 58.957 58.100 0.005 0.000 1.202 506 Y CB -0.564 37.899 38.460 0.005 0.000 0.990 506 Y HN 0.129 nan 8.280 nan 0.000 0.537 507 A N 0.024 122.926 122.820 0.137 0.000 1.877 507 A HA -0.120 4.201 4.320 0.001 0.000 0.216 507 A C 2.462 180.077 177.584 0.052 0.000 1.186 507 A CA 1.900 53.987 52.037 0.082 0.000 0.620 507 A CB -1.223 17.811 19.000 0.057 0.000 0.822 507 A HN 0.370 nan 8.150 nan 0.000 0.443 508 A N -0.873 121.964 122.820 0.027 0.000 1.930 508 A HA -0.064 4.257 4.320 0.001 0.000 0.217 508 A C 2.461 180.054 177.584 0.015 0.000 1.175 508 A CA 2.110 54.154 52.037 0.011 0.000 0.627 508 A CB -0.869 18.126 19.000 -0.008 0.000 0.815 508 A HN 0.587 nan 8.150 nan 0.000 0.443 509 S N -0.501 115.210 115.700 0.018 0.000 2.348 509 S HA -0.131 4.339 4.470 0.001 0.000 0.221 509 S C 1.907 176.536 174.600 0.049 0.000 1.033 509 S CA 1.803 60.020 58.200 0.029 0.000 1.010 509 S CB -0.504 62.721 63.200 0.042 0.000 0.891 509 S HN 0.300 nan 8.310 nan 0.000 0.442 510 V N 2.277 122.233 119.914 0.070 0.000 2.427 510 V HA -0.049 4.071 4.120 0.001 0.000 0.248 510 V C 2.896 179.012 176.094 0.037 0.000 1.051 510 V CA 1.584 63.918 62.300 0.056 0.000 1.048 510 V CB -1.401 30.458 31.823 0.059 0.000 0.666 510 V HN 0.616 nan 8.190 nan 0.000 0.456 511 A N 0.803 123.643 122.820 0.035 0.000 1.902 511 A HA -0.113 4.208 4.320 0.001 0.000 0.217 511 A C 2.444 180.041 177.584 0.021 0.000 1.181 511 A CA 1.996 54.048 52.037 0.025 0.000 0.623 511 A CB -1.279 17.735 19.000 0.022 0.000 0.818 511 A HN 0.518 nan 8.150 nan 0.000 0.443 512 G N -0.183 108.629 108.800 0.019 0.000 2.440 512 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 512 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 512 G C 1.561 176.471 174.900 0.017 0.000 1.154 512 G CA 1.092 46.202 45.100 0.016 0.000 0.767 512 G HN 0.441 nan 8.290 nan 0.000 0.552 513 L N -0.263 120.973 121.223 0.021 0.000 2.017 513 L HA -0.054 4.287 4.340 0.001 0.000 0.208 513 L C 3.147 180.028 176.870 0.019 0.000 1.073 513 L CA 1.101 55.953 54.840 0.020 0.000 0.745 513 L CB -0.350 41.724 42.059 0.024 0.000 0.894 513 L HN 0.233 nan 8.230 nan 0.000 0.432 514 M N -0.587 119.025 119.600 0.020 0.000 2.117 514 M HA -0.214 4.267 4.480 0.001 0.000 0.262 514 M C 2.307 178.617 176.300 0.017 0.000 1.065 514 M CA 1.816 57.127 55.300 0.019 0.000 1.114 514 M CB -0.392 32.220 32.600 0.019 0.000 1.361 514 M HN 0.214 nan 8.290 nan 0.000 0.408 515 I N 0.070 120.650 120.570 0.016 0.000 2.454 515 I HA -0.211 3.959 4.170 0.001 0.000 0.254 515 I C 1.880 178.006 176.117 0.016 0.000 1.156 515 I CA 1.447 62.756 61.300 0.015 0.000 1.433 515 I CB -0.439 37.569 38.000 0.013 0.000 1.082 515 I HN 0.397 nan 8.210 nan 0.000 0.432 516 T N -3.275 111.289 114.554 0.016 0.000 3.186 516 T HA 0.144 4.494 4.350 0.001 0.000 0.257 516 T C 0.558 175.270 174.700 0.020 0.000 1.029 516 T CA -0.272 61.839 62.100 0.018 0.000 0.916 516 T CB -0.444 68.434 68.868 0.017 0.000 1.041 516 T HN -0.058 nan 8.240 nan 0.000 0.562 517 T N 2.461 117.026 114.554 0.018 0.000 2.771 517 T HA 0.284 4.635 4.350 0.001 0.000 0.291 517 T C 0.657 175.369 174.700 0.019 0.000 0.954 517 T CA -0.474 61.636 62.100 0.016 0.000 1.045 517 T CB 1.445 70.321 68.868 0.013 0.000 0.917 517 T HN 0.097 nan 8.240 nan 0.000 0.484 518 E N 0.651 120.866 120.200 0.025 0.000 2.447 518 E HA 0.166 4.517 4.350 0.001 0.000 0.204 518 E C 0.233 176.847 176.600 0.023 0.000 0.977 518 E CA 0.139 56.570 56.400 0.052 0.000 0.950 518 E CB 0.618 30.372 29.700 0.090 0.000 0.975 518 E HN 0.605 nan 8.360 nan 0.000 0.496 519 C N 0.258 119.521 119.300 -0.062 0.000 3.082 519 C HA 0.692 5.153 4.460 0.001 0.000 0.324 519 C C -1.440 173.450 174.990 -0.168 0.000 1.210 519 C CA -0.663 58.202 59.018 -0.254 0.000 1.366 519 C CB 0.571 28.087 27.740 -0.373 0.000 1.756 519 C HN 0.120 nan 8.230 nan 0.000 0.485 520 M N 4.516 124.012 119.600 -0.174 0.000 2.393 520 M HA 0.636 5.116 4.480 0.001 0.000 0.299 520 M C -1.166 175.190 176.300 0.093 0.000 1.103 520 M CA -0.590 54.729 55.300 0.031 0.000 0.910 520 M CB 2.185 34.924 32.600 0.232 0.000 1.659 520 M HN 0.413 nan 8.290 nan 0.000 0.445 521 V N 0.999 120.936 119.914 0.038 0.000 2.588 521 V HA 0.807 4.928 4.120 0.001 0.000 0.304 521 V C -0.391 175.648 176.094 -0.093 0.000 1.042 521 V CA -0.441 61.862 62.300 0.005 0.000 0.877 521 V CB 2.018 33.825 31.823 -0.028 0.000 0.996 521 V HN 0.954 nan 8.190 nan 0.000 0.425 522 T N 1.636 116.090 114.554 -0.166 0.000 2.821 522 T HA 0.393 4.744 4.350 0.001 0.000 0.306 522 T C -1.448 173.144 174.700 -0.181 0.000 1.313 522 T CA -0.551 61.388 62.100 -0.268 0.000 1.012 522 T CB 1.901 70.425 68.868 -0.574 0.000 1.298 522 T HN 0.649 nan 8.240 nan 0.000 0.502 523 D N 1.772 122.080 120.400 -0.153 0.000 2.423 523 D HA 0.274 4.915 4.640 0.001 0.000 0.238 523 D C 0.028 176.273 176.300 -0.091 0.000 1.142 523 D CA -0.080 53.864 54.000 -0.094 0.000 0.884 523 D CB 0.423 41.176 40.800 -0.078 0.000 1.199 523 D HN 0.279 nan 8.370 nan 0.000 0.438 524 L N 4.326 125.524 121.223 -0.041 0.000 2.453 524 L HA 0.179 4.520 4.340 0.001 0.000 0.272 524 L C -1.769 175.088 176.870 -0.022 0.000 1.182 524 L CA -1.334 53.498 54.840 -0.013 0.000 0.858 524 L CB 0.207 42.270 42.059 0.007 0.000 1.120 524 L HN 0.284 nan 8.230 nan 0.000 0.474 525 P HA 0.050 nan 4.420 nan 0.000 0.252 525 P C -1.021 176.275 177.300 -0.007 0.000 1.635 525 P CA 0.363 63.455 63.100 -0.014 0.000 1.206 525 P CB -0.052 31.649 31.700 0.003 0.000 1.911 526 K N 0.000 120.392 120.400 -0.013 0.000 2.780 526 K HA 0.000 4.321 4.320 0.001 0.000 0.191 526 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 526 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543