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 1kp8_1_A 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 QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 1.028 123.849 122.820 0.001 0.000 2.540 3 A HA 0.522 4.843 4.320 0.000 0.000 0.239 3 A C 0.197 177.785 177.584 0.007 0.000 1.061 3 A CA 0.396 52.438 52.037 0.009 0.000 0.758 3 A CB -0.128 18.880 19.000 0.013 0.000 0.991 3 A HN 0.585 nan 8.150 nan 0.000 0.502 4 K N 1.400 121.810 120.400 0.016 0.000 2.166 4 K HA 0.428 4.748 4.320 0.000 0.000 0.245 4 K C -1.059 175.571 176.600 0.051 0.000 0.967 4 K CA -0.689 55.607 56.287 0.016 0.000 0.863 4 K CB 1.526 34.034 32.500 0.013 0.000 1.107 4 K HN 0.747 nan 8.250 nan 0.000 0.436 5 D N 0.922 121.366 120.400 0.074 0.000 2.217 5 D HA 0.385 5.025 4.640 0.000 0.000 0.243 5 D C -1.283 175.175 176.300 0.264 0.000 1.054 5 D CA -0.592 53.519 54.000 0.185 0.000 0.838 5 D CB 1.429 42.389 40.800 0.266 0.000 1.162 5 D HN 0.039 nan 8.370 nan 0.000 0.472 6 V N 4.057 124.089 119.914 0.196 0.000 2.531 6 V HA 0.443 4.563 4.120 0.000 0.000 0.301 6 V C -0.040 176.007 176.094 -0.079 0.000 1.034 6 V CA -0.795 61.542 62.300 0.061 0.000 0.865 6 V CB 1.912 33.742 31.823 0.012 0.000 0.995 6 V HN 0.396 nan 8.190 nan 0.000 0.424 7 K N 3.679 123.909 120.400 -0.283 0.000 2.318 7 K HA 0.768 5.088 4.320 0.000 0.000 0.249 7 K C -1.597 174.712 176.600 -0.484 0.000 0.942 7 K CA -0.504 55.563 56.287 -0.367 0.000 0.808 7 K CB 2.526 34.624 32.500 -0.670 0.000 1.189 7 K HN 0.456 nan 8.250 nan 0.000 0.428 8 F N -0.025 119.871 119.950 -0.089 0.000 2.579 8 F HA 0.397 4.924 4.527 0.000 0.000 0.324 8 F C 1.316 177.084 175.800 -0.054 0.000 1.058 8 F CA -0.056 57.915 58.000 -0.049 0.000 0.944 8 F CB 1.678 40.659 39.000 -0.031 0.000 1.245 8 F HN 0.818 nan 8.300 nan 0.000 0.477 9 G N 1.946 110.843 108.800 0.161 0.000 2.684 9 G HA2 -0.437 3.523 3.960 0.000 0.000 0.342 9 G HA3 -0.437 3.523 3.960 0.000 0.000 0.342 9 G C 1.313 176.230 174.900 0.029 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 0.021 0.000 2.069 10 N HA -0.170 4.570 4.740 0.000 0.000 0.196 10 N C 1.794 177.290 175.510 -0.024 0.000 1.024 10 N CA 2.138 55.188 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 0.401 120.781 120.400 -0.033 0.000 2.123 11 D HA -0.100 4.540 4.640 0.000 0.000 0.196 11 D C 1.823 178.035 176.300 -0.146 0.000 0.992 11 D CA 1.249 55.197 54.000 -0.087 0.000 0.833 11 D CB -0.377 40.364 40.800 -0.097 0.000 0.954 11 D HN 0.326 nan 8.370 nan 0.000 0.455 12 A N 0.500 123.238 122.820 -0.136 0.000 1.897 12 A HA 0.060 4.380 4.320 0.000 0.000 0.215 12 A C 2.375 179.923 177.584 -0.059 0.000 1.181 12 A CA 1.906 53.855 52.037 -0.147 0.000 0.620 12 A CB -1.048 17.885 19.000 -0.111 0.000 0.821 12 A HN 0.292 nan 8.150 nan 0.000 0.443 13 G N 0.146 108.927 108.800 -0.033 0.000 2.446 13 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 13 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 13 G C 1.653 176.548 174.900 -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 -1.259 118.643 119.914 -0.019 0.000 2.490 14 V HA -0.053 4.067 4.120 0.000 0.000 0.250 14 V C 2.516 178.608 176.094 -0.005 0.000 1.061 14 V CA 2.092 64.385 62.300 -0.012 0.000 1.064 14 V CB -0.471 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 0.154 120.547 120.400 -0.013 0.000 2.025 15 K HA 0.019 4.339 4.320 0.000 0.000 0.207 15 K C 2.249 178.879 176.600 0.049 0.000 1.049 15 K CA 2.059 58.361 56.287 0.025 0.000 0.933 15 K CB -0.610 31.910 32.500 0.035 0.000 0.714 15 K HN 0.516 nan 8.250 nan 0.000 0.438 16 M N 0.360 119.986 119.600 0.043 0.000 2.080 16 M HA -0.198 4.282 4.480 0.000 0.000 0.260 16 M C 2.231 178.548 176.300 0.029 0.000 1.068 16 M CA 1.228 56.554 55.300 0.043 0.000 1.109 16 M CB -0.370 32.251 32.600 0.035 0.000 1.342 16 M HN 0.027 nan 8.290 nan 0.000 0.405 17 L N 0.505 121.739 121.223 0.020 0.000 2.042 17 L HA -0.215 4.125 4.340 0.000 0.000 0.210 17 L C 2.470 179.349 176.870 0.015 0.000 1.076 17 L CA 1.936 56.785 54.840 0.015 0.000 0.749 17 L CB -0.696 41.369 42.059 0.010 0.000 0.893 17 L HN 0.163 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 4.292 4.340 0.000 0.000 0.235 18 R C 2.167 178.479 176.300 0.019 0.000 1.131 18 R CA 1.720 57.830 56.100 0.017 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 0.025 0.000 2.402 19 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 19 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 19 G C 1.436 176.344 174.900 0.015 0.000 1.162 19 G CA 0.975 46.089 45.100 0.022 0.000 0.777 19 G HN 0.362 nan 8.290 nan 0.000 0.539 20 V N -0.176 119.747 119.914 0.015 0.000 2.548 20 V HA -0.064 4.056 4.120 0.000 0.000 0.249 20 V C 2.187 178.287 176.094 0.009 0.000 1.055 20 V CA 2.089 64.396 62.300 0.011 0.000 1.065 20 V CB -0.495 31.336 31.823 0.013 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 0.009 0.000 2.142 21 N HA -0.079 4.661 4.740 0.000 0.000 0.186 21 N C 1.827 177.340 175.510 0.005 0.000 1.023 21 N CA 1.808 54.862 53.050 0.007 0.000 0.852 21 N CB -0.573 37.918 38.487 0.007 0.000 0.998 21 N HN 0.494 nan 8.380 nan 0.000 0.424 22 V N 1.596 121.513 119.914 0.005 0.000 2.295 22 V HA -0.190 3.930 4.120 0.000 0.000 0.246 22 V C 2.412 178.507 176.094 0.000 0.000 1.049 22 V CA 1.205 63.506 62.300 0.003 0.000 1.024 22 V CB -0.594 31.231 31.823 0.003 0.000 0.648 22 V HN 0.212 nan 8.190 nan 0.000 0.447 23 L N 0.681 121.904 121.223 0.000 0.000 1.994 23 L HA -0.100 4.240 4.340 0.000 0.000 0.208 23 L C 2.460 179.329 176.870 -0.002 0.000 1.071 23 L CA 2.403 57.241 54.840 -0.002 0.000 0.745 23 L CB -0.744 41.313 42.059 -0.002 0.000 0.892 23 L HN 0.208 nan 8.230 nan 0.000 0.431 24 A N -0.687 122.134 122.820 0.001 0.000 1.902 24 A HA -0.222 4.098 4.320 0.000 0.000 0.217 24 A C 1.963 179.547 177.584 0.001 0.000 1.181 24 A CA 1.924 53.962 52.037 0.002 0.000 0.623 24 A CB -0.874 18.129 19.000 0.005 0.000 0.818 24 A HN 0.576 nan 8.150 nan 0.000 0.443 25 D N 0.050 120.451 120.400 0.001 0.000 2.144 25 D HA -0.018 4.622 4.640 0.000 0.000 0.200 25 D C 2.203 178.502 176.300 -0.002 0.000 0.978 25 D CA 1.449 55.449 54.000 0.000 0.000 0.833 25 D CB -0.405 40.395 40.800 0.000 0.000 0.961 25 D HN 0.427 nan 8.370 nan 0.000 0.470 26 A N 0.438 123.256 122.820 -0.003 0.000 1.898 26 A HA -0.102 4.218 4.320 0.000 0.000 0.216 26 A C 2.484 180.065 177.584 -0.006 0.000 1.181 26 A CA 1.068 53.102 52.037 -0.005 0.000 0.620 26 A CB -0.593 18.403 19.000 -0.007 0.000 0.819 26 A HN 0.144 nan 8.150 nan 0.000 0.442 27 V N 1.295 121.206 119.914 -0.005 0.000 2.323 27 V HA -0.231 3.889 4.120 0.000 0.000 0.244 27 V C 2.515 178.606 176.094 -0.004 0.000 1.041 27 V CA 2.155 64.452 62.300 -0.006 0.000 1.025 27 V CB -0.686 31.133 31.823 -0.006 0.000 0.656 27 V HN 0.843 nan 8.190 nan 0.000 0.451 28 K N 1.538 121.937 120.400 -0.002 0.000 2.360 28 K HA -0.108 4.212 4.320 0.000 0.000 0.201 28 K C 1.816 178.416 176.600 -0.001 0.000 1.046 28 K CA 1.718 58.005 56.287 -0.000 0.000 0.945 28 K CB -0.636 31.865 32.500 0.002 0.000 0.750 28 K HN 0.497 nan 8.250 nan 0.000 0.464 29 V N -0.047 119.866 119.914 -0.002 0.000 2.970 29 V HA -0.112 4.008 4.120 0.000 0.000 0.260 29 V C 2.043 178.135 176.094 -0.003 0.000 1.100 29 V CA 1.669 63.968 62.300 -0.002 0.000 1.122 29 V CB -0.976 30.845 31.823 -0.003 0.000 0.721 29 V HN 0.531 nan 8.190 nan 0.000 0.483 30 T N -2.036 112.515 114.554 -0.004 0.000 3.144 30 T HA 0.285 4.635 4.350 0.000 0.000 0.249 30 T C 0.442 175.139 174.700 -0.005 0.000 1.089 30 T CA -0.138 61.958 62.100 -0.006 0.000 0.989 30 T CB -0.238 68.625 68.868 -0.008 0.000 0.992 30 T HN 0.382 nan 8.240 nan 0.000 0.540 31 L N 2.601 123.822 121.223 -0.002 0.000 2.360 31 L HA 0.579 4.919 4.340 0.000 0.000 0.276 31 L C 0.773 177.643 176.870 -0.000 0.000 1.121 31 L CA 1.476 56.316 54.840 -0.001 0.000 0.845 31 L CB -0.398 41.663 42.059 0.003 0.000 1.143 31 L HN 0.652 nan 8.230 nan 0.000 0.452 32 G N 4.601 113.400 108.800 -0.003 0.000 2.796 32 G HA2 -0.180 3.780 3.960 0.000 0.000 0.571 32 G HA3 -0.180 3.780 3.960 0.000 0.000 0.571 32 G C -1.814 173.080 174.900 -0.010 0.000 1.370 32 G CA -0.291 44.806 45.100 -0.005 0.000 0.856 32 G HN 0.617 nan 8.290 nan 0.000 0.538 33 P HA -0.028 nan 4.420 nan 0.000 0.219 33 P C 0.901 178.190 177.300 -0.018 0.000 1.146 33 P CA 1.341 64.427 63.100 -0.023 0.000 0.808 33 P CB 0.095 31.772 31.700 -0.039 0.000 0.779 34 K N 0.246 120.640 120.400 -0.010 0.000 2.576 34 K HA 0.256 4.576 4.320 0.000 0.000 0.209 34 K C 1.021 177.619 176.600 -0.002 0.000 1.049 34 K CA -0.239 56.045 56.287 -0.005 0.000 1.140 34 K CB 0.172 32.674 32.500 0.003 0.000 0.871 34 K HN 0.059 nan 8.250 nan 0.000 0.479 35 G N 1.616 110.413 108.800 -0.005 0.000 2.484 35 G HA2 0.006 3.966 3.960 0.000 0.000 0.235 35 G HA3 0.006 3.966 3.960 0.000 0.000 0.235 35 G C 0.175 175.072 174.900 -0.005 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 0.991 121.489 120.500 -0.004 0.000 2.553 36 R HA 0.223 4.563 4.340 0.000 0.000 0.263 36 R C 0.112 176.408 176.300 -0.006 0.000 1.066 36 R CA -0.778 55.319 56.100 -0.004 0.000 1.135 36 R CB 0.558 30.856 30.300 -0.003 0.000 1.148 36 R HN 0.653 nan 8.270 nan 0.000 0.558 37 N N -0.849 117.848 118.700 -0.006 0.000 2.524 37 N HA 0.302 5.042 4.740 0.000 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 1.208 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 1.865 121.774 119.914 -0.008 0.000 2.588 38 V HA 0.327 4.447 4.120 0.000 0.000 0.304 38 V C -0.457 175.632 176.094 -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 33.658 31.823 -0.010 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 4.579 4.120 0.000 0.000 0.275 39 V C -0.182 175.905 176.094 -0.013 0.000 1.036 39 V CA -0.388 61.906 62.300 -0.010 0.000 0.889 39 V CB 1.357 33.175 31.823 -0.009 0.000 0.985 39 V HN 0.620 nan 8.190 nan 0.000 0.459 40 L N 3.868 125.082 121.223 -0.014 0.000 2.305 40 L HA 0.518 4.858 4.340 0.000 0.000 0.284 40 L C -0.051 176.806 176.870 -0.022 0.000 1.013 40 L CA -0.630 54.199 54.840 -0.019 0.000 0.819 40 L CB 1.522 43.570 42.059 -0.019 0.000 1.227 40 L HN 0.491 nan 8.230 nan 0.000 0.417 41 D N 3.293 123.676 120.400 -0.028 0.000 2.399 41 D HA 0.188 4.828 4.640 0.000 0.000 0.241 41 D C -0.406 175.867 176.300 -0.046 0.000 1.133 41 D CA 0.387 54.366 54.000 -0.035 0.000 0.890 41 D CB 0.981 41.756 40.800 -0.042 0.000 1.201 41 D HN 0.359 nan 8.370 nan 0.000 0.432 42 K N 0.230 120.599 120.400 -0.053 0.000 2.328 42 K HA 0.219 4.539 4.320 0.000 0.000 0.246 42 K C 1.064 177.579 176.600 -0.141 0.000 0.955 42 K CA -0.580 55.666 56.287 -0.069 0.000 0.817 42 K CB 1.672 34.158 32.500 -0.023 0.000 1.208 42 K HN 0.387 nan 8.250 nan 0.000 0.432 43 S N 0.883 116.428 115.700 -0.258 0.000 2.423 43 S HA 0.003 4.473 4.470 0.000 0.000 0.231 43 S C 0.316 174.473 174.600 -0.739 0.000 1.014 43 S CA 0.684 58.549 58.200 -0.558 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 1.104 121.051 119.950 -0.006 0.000 2.556 44 F HA 0.699 5.226 4.527 0.000 0.000 0.314 44 F C 0.932 176.729 175.800 -0.006 0.000 1.106 44 F CA -0.336 57.660 58.000 -0.006 0.000 0.911 44 F CB 1.500 40.496 39.000 -0.006 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 0.193 0.000 2.632 45 G HA2 0.267 4.227 3.960 0.000 0.000 0.224 45 G HA3 0.267 4.227 3.960 0.000 0.000 0.224 45 G C -0.632 174.302 174.900 0.057 0.000 1.341 45 G CA -0.535 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 0.773 123.616 122.820 0.038 0.000 2.351 46 A HA 0.749 5.069 4.320 0.000 0.000 0.257 46 A C -1.329 176.263 177.584 0.014 0.000 1.087 46 A CA -0.119 51.931 52.037 0.021 0.000 0.798 46 A CB -0.128 18.881 19.000 0.016 0.000 1.033 46 A HN 0.731 nan 8.150 nan 0.000 0.488 47 P HA 0.238 nan 4.420 nan 0.000 0.271 47 P C -0.207 177.092 177.300 -0.002 0.000 1.233 47 P CA 0.031 63.129 63.100 -0.004 0.000 0.789 47 P CB 0.379 32.074 31.700 -0.007 0.000 0.951 48 T N 1.693 116.244 114.554 -0.006 0.000 2.845 48 T HA 0.471 4.822 4.350 0.000 0.000 0.288 48 T C 0.244 174.939 174.700 -0.007 0.000 0.980 48 T CA -0.123 61.974 62.100 -0.006 0.000 1.071 48 T CB 0.014 68.877 68.868 -0.008 0.000 0.941 48 T HN 0.173 nan 8.240 nan 0.000 0.487 49 I N 2.575 123.141 120.570 -0.006 0.000 2.382 49 I HA 0.451 4.621 4.170 0.000 0.000 0.286 49 I C 0.241 176.353 176.117 -0.008 0.000 1.002 49 I CA -0.496 60.800 61.300 -0.007 0.000 1.135 49 I CB 1.866 39.862 38.000 -0.006 0.000 1.288 49 I HN 0.525 nan 8.210 nan 0.000 0.448 50 T N 4.522 119.070 114.554 -0.010 0.000 2.883 50 T HA 0.432 4.782 4.350 0.000 0.000 0.301 50 T C -0.108 174.585 174.700 -0.011 0.000 1.158 50 T CA -0.538 61.555 62.100 -0.011 0.000 1.007 50 T CB 1.789 70.650 68.868 -0.013 0.000 1.186 50 T HN 0.651 nan 8.240 nan 0.000 0.499 51 K N 1.524 121.917 120.400 -0.012 0.000 2.506 51 K HA 0.214 4.534 4.320 0.000 0.000 0.204 51 K C -0.797 175.795 176.600 -0.014 0.000 1.045 51 K CA -0.259 56.021 56.287 -0.012 0.000 1.074 51 K CB 0.580 33.073 32.500 -0.012 0.000 0.842 51 K HN 0.481 nan 8.250 nan 0.000 0.514 52 D N -0.121 120.270 120.400 -0.016 0.000 2.317 52 D HA 0.151 4.791 4.640 0.000 0.000 0.234 52 D C 1.222 177.511 176.300 -0.018 0.000 1.112 52 D CA -0.180 53.808 54.000 -0.019 0.000 0.840 52 D CB 1.380 42.167 40.800 -0.022 0.000 1.078 52 D HN 0.147 nan 8.370 nan 0.000 0.486 53 G N 2.411 111.200 108.800 -0.018 0.000 2.446 53 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 53 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 53 G C 1.525 176.413 174.900 -0.020 0.000 1.168 53 G CA 0.821 45.911 45.100 -0.017 0.000 0.771 53 G HN 0.486 nan 8.290 nan 0.000 0.551 54 V N 1.131 121.031 119.914 -0.024 0.000 2.332 54 V HA -0.215 3.905 4.120 0.000 0.000 0.248 54 V C 3.125 179.204 176.094 -0.026 0.000 1.055 54 V CA 2.285 64.569 62.300 -0.028 0.000 1.038 54 V CB -0.701 31.102 31.823 -0.033 0.000 0.651 54 V HN 0.374 nan 8.190 nan 0.000 0.450 55 S N -0.255 115.430 115.700 -0.025 0.000 2.383 55 S HA -0.171 4.299 4.470 0.000 0.000 0.229 55 S C 1.958 176.545 174.600 -0.021 0.000 1.030 55 S CA 1.571 59.757 58.200 -0.023 0.000 1.002 55 S CB -0.223 62.965 63.200 -0.021 0.000 0.829 55 S HN 0.416 nan 8.310 nan 0.000 0.467 56 V N 1.770 121.672 119.914 -0.019 0.000 2.323 56 V HA -0.124 3.996 4.120 0.000 0.000 0.244 56 V C 2.655 178.738 176.094 -0.019 0.000 1.041 56 V CA 1.523 63.813 62.300 -0.018 0.000 1.025 56 V CB -1.255 30.559 31.823 -0.015 0.000 0.656 56 V HN 0.525 nan 8.190 nan 0.000 0.451 57 A N 0.163 122.972 122.820 -0.019 0.000 1.917 57 A HA -0.271 4.049 4.320 0.000 0.000 0.219 57 A C 2.352 179.922 177.584 -0.023 0.000 1.182 57 A CA 2.007 54.032 52.037 -0.020 0.000 0.633 57 A CB -0.591 18.396 19.000 -0.022 0.000 0.819 57 A HN 0.494 nan 8.150 nan 0.000 0.448 58 R N -0.533 119.952 120.500 -0.025 0.000 2.139 58 R HA -0.127 4.213 4.340 0.000 0.000 0.243 58 R C 1.482 177.766 176.300 -0.026 0.000 1.145 58 R CA 1.357 57.441 56.100 -0.028 0.000 0.976 58 R CB -0.220 30.062 30.300 -0.029 0.000 0.866 58 R HN 0.529 nan 8.270 nan 0.000 0.449 59 E N 0.227 120.412 120.200 -0.025 0.000 2.435 59 E HA 0.022 4.372 4.350 0.000 0.000 0.195 59 E C 0.438 177.024 176.600 -0.023 0.000 1.029 59 E CA 0.237 56.622 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 2.208 122.766 120.570 -0.021 0.000 2.436 60 I HA 0.136 4.306 4.170 0.000 0.000 0.289 60 I C 0.362 176.467 176.117 -0.020 0.000 1.083 60 I CA 0.229 61.518 61.300 -0.019 0.000 1.372 60 I CB -0.076 37.915 38.000 -0.015 0.000 1.408 60 I HN -0.052 nan 8.210 nan 0.000 0.516 61 E N 7.057 127.245 120.200 -0.020 0.000 2.304 61 E HA 0.562 4.912 4.350 0.000 0.000 0.277 61 E C -1.694 174.894 176.600 -0.019 0.000 0.898 61 E CA -0.608 55.779 56.400 -0.022 0.000 0.764 61 E CB 2.146 31.831 29.700 -0.026 0.000 1.216 61 E HN 0.445 nan 8.360 nan 0.000 0.419 62 L N 3.101 124.314 121.223 -0.017 0.000 2.322 62 L HA 0.410 4.750 4.340 0.000 0.000 0.269 62 L C 1.406 178.267 176.870 -0.015 0.000 1.012 62 L CA -0.588 54.246 54.840 -0.012 0.000 0.815 62 L CB 1.608 43.666 42.059 -0.002 0.000 1.295 62 L HN 0.750 nan 8.230 nan 0.000 0.438 63 E N 0.587 120.781 120.200 -0.009 0.000 2.028 63 E HA -0.166 4.184 4.350 0.000 0.000 0.190 63 E C 0.500 177.096 176.600 -0.007 0.000 0.984 63 E CA 0.519 56.913 56.400 -0.010 0.000 0.800 63 E CB 0.232 29.930 29.700 -0.004 0.000 0.758 63 E HN 0.670 nan 8.360 nan 0.000 0.448 64 D N 0.773 121.181 120.400 0.013 0.000 2.434 64 D HA -0.084 4.557 4.640 0.000 0.000 0.252 64 D C 0.693 176.998 176.300 0.007 0.000 1.185 64 D CA 0.106 54.128 54.000 0.038 0.000 0.886 64 D CB 0.876 41.720 40.800 0.074 0.000 1.148 64 D HN 0.063 nan 8.370 nan 0.000 0.483 65 K N 3.647 124.014 120.400 -0.056 0.000 2.113 65 K HA -0.180 4.140 4.320 0.000 0.000 0.208 65 K C 1.908 178.354 176.600 -0.258 0.000 1.047 65 K CA 1.230 57.393 56.287 -0.206 0.000 0.928 65 K CB -0.322 31.959 32.500 -0.366 0.000 0.716 65 K HN 0.501 nan 8.250 nan 0.000 0.446 66 F N 1.673 121.611 119.950 -0.021 0.000 2.163 66 F HA -0.050 4.477 4.527 0.000 0.000 0.297 66 F C 2.399 178.187 175.800 -0.020 0.000 1.094 66 F CA 1.009 58.994 58.000 -0.024 0.000 1.290 66 F CB -0.401 38.584 39.000 -0.025 0.000 1.017 66 F HN 0.091 nan 8.300 nan 0.000 0.483 67 E N -0.009 120.287 120.200 0.159 0.000 2.110 67 E HA -0.257 4.093 4.350 0.000 0.000 0.193 67 E C 1.791 178.414 176.600 0.038 0.000 0.988 67 E CA 1.326 57.775 56.400 0.083 0.000 0.804 67 E CB -0.376 29.361 29.700 0.061 0.000 0.745 67 E HN 0.308 nan 8.360 nan 0.000 0.458 68 N N 0.683 119.390 118.700 0.011 0.000 2.166 68 N HA -0.150 4.590 4.740 0.000 0.000 0.186 68 N C 1.722 177.221 175.510 -0.018 0.000 1.019 68 N CA 1.214 54.255 53.050 -0.015 0.000 0.856 68 N CB 0.012 38.476 38.487 -0.039 0.000 0.993 68 N HN 0.085 nan 8.380 nan 0.000 0.426 69 M N -0.843 118.744 119.600 -0.022 0.000 2.117 69 M HA -0.035 4.445 4.480 0.000 0.000 0.262 69 M C 2.171 178.476 176.300 0.008 0.000 1.065 69 M CA 1.687 56.976 55.300 -0.017 0.000 1.114 69 M CB -0.557 32.032 32.600 -0.019 0.000 1.361 69 M HN 0.318 nan 8.290 nan 0.000 0.408 70 G N -0.209 108.608 108.800 0.029 0.000 2.422 70 G HA2 -0.129 3.832 3.960 0.000 0.000 0.218 70 G HA3 -0.129 3.832 3.960 0.000 0.000 0.218 70 G C 1.606 176.515 174.900 0.014 0.000 1.146 70 G CA 0.976 46.092 45.100 0.027 0.000 0.769 70 G HN 0.542 nan 8.290 nan 0.000 0.547 71 A N 0.080 122.905 122.820 0.009 0.000 1.898 71 A HA -0.029 4.291 4.320 0.000 0.000 0.216 71 A C 2.396 179.977 177.584 -0.005 0.000 1.181 71 A CA 1.813 53.851 52.037 0.001 0.000 0.620 71 A CB -0.306 18.693 19.000 -0.002 0.000 0.819 71 A HN 0.294 nan 8.150 nan 0.000 0.442 72 Q N -0.555 119.239 119.800 -0.010 0.000 2.224 72 Q HA -0.050 4.290 4.340 0.000 0.000 0.203 72 Q C 2.069 178.062 176.000 -0.011 0.000 0.970 72 Q CA 1.299 57.093 55.803 -0.015 0.000 0.865 72 Q CB -0.517 28.208 28.738 -0.022 0.000 0.922 72 Q HN 0.778 nan 8.270 nan 0.000 0.445 73 M N -0.588 119.010 119.600 -0.004 0.000 2.098 73 M HA -0.101 4.379 4.480 0.000 0.000 0.262 73 M C 2.232 178.535 176.300 0.004 0.000 1.072 73 M CA 1.073 56.373 55.300 0.001 0.000 1.133 73 M CB -0.409 32.196 32.600 0.009 0.000 1.344 73 M HN 0.051 nan 8.290 nan 0.000 0.414 74 V N 0.359 120.277 119.914 0.006 0.000 2.759 74 V HA -0.214 3.906 4.120 0.000 0.000 0.256 74 V C 2.042 178.136 176.094 -0.001 0.000 1.080 74 V CA 1.779 64.084 62.300 0.009 0.000 1.101 74 V CB -0.477 31.353 31.823 0.011 0.000 0.698 74 V HN 0.407 nan 8.190 nan 0.000 0.477 75 K N -0.299 120.096 120.400 -0.009 0.000 2.211 75 K HA -0.152 4.168 4.320 0.000 0.000 0.204 75 K C 2.039 178.621 176.600 -0.031 0.000 1.047 75 K CA 1.390 57.666 56.287 -0.019 0.000 0.935 75 K CB -0.032 32.456 32.500 -0.021 0.000 0.728 75 K HN 0.452 nan 8.250 nan 0.000 0.452 76 E N 0.057 120.241 120.200 -0.027 0.000 2.204 76 E HA -0.134 4.216 4.350 0.000 0.000 0.194 76 E C 1.884 178.444 176.600 -0.067 0.000 0.989 76 E CA 0.683 57.057 56.400 -0.044 0.000 0.824 76 E CB 0.012 29.699 29.700 -0.023 0.000 0.756 76 E HN 0.111 nan 8.360 nan 0.000 0.477 77 V N 1.474 121.370 119.914 -0.029 0.000 2.237 77 V HA -0.271 3.849 4.120 0.000 0.000 0.245 77 V C 2.469 178.523 176.094 -0.067 0.000 1.046 77 V CA 1.938 64.231 62.300 -0.012 0.000 1.007 77 V CB -0.912 30.933 31.823 0.037 0.000 0.638 77 V HN 0.255 nan 8.190 nan 0.000 0.445 78 A N 0.862 123.654 122.820 -0.048 0.000 1.865 78 A HA -0.255 4.065 4.320 0.000 0.000 0.217 78 A C 2.563 180.088 177.584 -0.098 0.000 1.191 78 A CA 2.769 54.773 52.037 -0.054 0.000 0.623 78 A CB -1.011 17.968 19.000 -0.036 0.000 0.826 78 A HN 0.706 nan 8.150 nan 0.000 0.444 79 S N 0.091 115.728 115.700 -0.106 0.000 2.370 79 S HA -0.224 4.246 4.470 0.000 0.000 0.226 79 S C 1.849 176.329 174.600 -0.200 0.000 1.033 79 S CA 1.644 59.772 58.200 -0.120 0.000 1.011 79 S CB -0.405 62.739 63.200 -0.094 0.000 0.852 79 S HN 0.631 nan 8.310 nan 0.000 0.457 80 K N 1.624 121.822 120.400 -0.337 0.000 2.062 80 K HA 0.185 4.505 4.320 0.000 0.000 0.205 80 K C 2.609 178.782 176.600 -0.711 0.000 1.051 80 K CA 1.006 56.908 56.287 -0.641 0.000 0.941 80 K CB -0.513 31.330 32.500 -1.095 0.000 0.719 80 K HN 0.469 nan 8.250 nan 0.000 0.440 81 A N 1.859 124.375 122.820 -0.508 0.000 1.933 81 A HA -0.227 4.093 4.320 0.000 0.000 0.218 81 A C 1.957 179.502 177.584 -0.065 0.000 1.175 81 A CA 1.867 53.824 52.037 -0.133 0.000 0.628 81 A CB -0.615 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 0.422 119.064 118.700 -0.096 0.000 2.058 82 N HA -0.148 4.592 4.740 0.000 0.000 0.191 82 N C 1.187 176.673 175.510 -0.039 0.000 1.037 82 N CA 1.838 54.855 53.050 -0.055 0.000 0.848 82 N CB -0.356 38.094 38.487 -0.063 0.000 1.021 82 N HN 0.384 nan 8.380 nan 0.000 0.422 83 D N -0.178 120.177 120.400 -0.075 0.000 2.149 83 D HA -0.098 4.542 4.640 0.000 0.000 0.198 83 D C 1.618 177.914 176.300 -0.006 0.000 0.990 83 D CA 1.372 55.344 54.000 -0.047 0.000 0.839 83 D CB -0.410 40.343 40.800 -0.079 0.000 0.948 83 D HN 0.437 nan 8.370 nan 0.000 0.460 84 A N 0.082 122.903 122.820 0.001 0.000 1.935 84 A HA 0.292 4.612 4.320 0.000 0.000 0.214 84 A C 2.014 179.657 177.584 0.097 0.000 1.178 84 A CA 1.666 53.752 52.037 0.082 0.000 0.640 84 A CB 0.079 19.206 19.000 0.211 0.000 0.825 84 A HN 0.232 nan 8.150 nan 0.000 0.447 85 A N -2.876 120.005 122.820 0.102 0.000 2.427 85 A HA 0.467 4.787 4.320 0.000 0.000 0.225 85 A C 1.622 179.318 177.584 0.187 0.000 1.257 85 A CA 1.064 53.179 52.037 0.131 0.000 0.985 85 A CB -0.292 18.777 19.000 0.114 0.000 1.136 85 A HN 1.827 nan 8.150 nan 0.000 0.538 86 G N -0.344 108.516 108.800 0.100 0.000 2.179 86 G HA2 -0.155 3.805 3.960 0.000 0.000 0.257 86 G HA3 -0.155 3.805 3.960 0.000 0.000 0.257 86 G C -0.204 174.654 174.900 -0.070 0.000 1.010 86 G CA 0.890 45.991 45.100 0.001 0.000 0.736 86 G HN 0.899 nan 8.290 nan 0.000 0.513 87 D N -2.922 117.476 120.400 -0.004 0.000 2.742 87 D HA 0.559 5.199 4.640 0.000 0.000 0.262 87 D C 0.795 177.104 176.300 0.014 0.000 1.240 87 D CA 1.305 55.298 54.000 -0.012 0.000 0.752 87 D CB 0.193 40.992 40.800 -0.002 0.000 1.290 87 D HN 1.410 nan 8.370 nan 0.000 0.420 88 G N 0.407 109.212 108.800 0.009 0.000 2.136 88 G HA2 -0.297 3.663 3.960 0.000 0.000 0.242 88 G HA3 -0.297 3.663 3.960 0.000 0.000 0.242 88 G C 0.997 175.908 174.900 0.019 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 -3.214 111.342 114.554 0.003 0.000 2.821 89 T HA -0.071 4.279 4.350 0.000 0.000 0.267 89 T C 2.233 176.934 174.700 0.001 0.000 1.046 89 T CA 2.477 64.576 62.100 -0.003 0.000 1.139 89 T CB -0.455 68.401 68.868 -0.021 0.000 0.871 89 T HN 0.304 nan 8.240 nan 0.000 0.454 90 T N 1.846 116.400 114.554 -0.000 0.000 2.777 90 T HA -0.057 4.293 4.350 0.000 0.000 0.266 90 T C 2.235 176.941 174.700 0.009 0.000 1.040 90 T CA 1.735 63.836 62.100 0.001 0.000 1.141 90 T CB -0.906 67.961 68.868 -0.002 0.000 0.868 90 T HN 0.483 nan 8.240 nan 0.000 0.444 91 T N 2.132 116.694 114.554 0.013 0.000 2.684 91 T HA -0.069 4.281 4.350 0.000 0.000 0.267 91 T C 2.397 177.113 174.700 0.026 0.000 1.036 91 T CA 1.255 63.366 62.100 0.019 0.000 1.148 91 T CB -0.566 68.315 68.868 0.022 0.000 0.863 91 T HN 0.433 nan 8.240 nan 0.000 0.436 92 A N 1.122 123.962 122.820 0.034 0.000 1.933 92 A HA -0.126 4.194 4.320 0.000 0.000 0.218 92 A C 2.538 180.144 177.584 0.037 0.000 1.175 92 A CA 2.050 54.116 52.037 0.048 0.000 0.628 92 A CB -1.141 17.899 19.000 0.067 0.000 0.814 92 A HN 0.485 nan 8.150 nan 0.000 0.444 93 T N -0.484 114.084 114.554 0.023 0.000 2.821 93 T HA -0.092 4.258 4.350 0.000 0.000 0.267 93 T C 1.943 176.652 174.700 0.016 0.000 1.046 93 T CA 1.641 63.751 62.100 0.017 0.000 1.139 93 T CB -0.468 68.404 68.868 0.007 0.000 0.871 93 T HN 0.617 nan 8.240 nan 0.000 0.454 94 V N 0.247 120.171 119.914 0.015 0.000 2.719 94 V HA 0.091 4.211 4.120 0.000 0.000 0.252 94 V C 2.070 178.174 176.094 0.016 0.000 1.065 94 V CA 1.144 63.452 62.300 0.013 0.000 1.086 94 V CB -0.819 31.010 31.823 0.011 0.000 0.700 94 V HN 0.440 nan 8.190 nan 0.000 0.467 95 L N 0.675 121.910 121.223 0.021 0.000 2.027 95 L HA 0.022 4.362 4.340 0.000 0.000 0.206 95 L C 3.058 179.941 176.870 0.022 0.000 1.074 95 L CA 1.661 56.514 54.840 0.022 0.000 0.745 95 L CB -0.899 41.176 42.059 0.027 0.000 0.898 95 L HN 0.433 nan 8.230 nan 0.000 0.433 96 A N -0.430 122.406 122.820 0.027 0.000 1.883 96 A HA -0.309 4.011 4.320 0.000 0.000 0.217 96 A C 2.258 179.854 177.584 0.020 0.000 1.186 96 A CA 2.033 54.086 52.037 0.027 0.000 0.624 96 A CB -0.701 18.318 19.000 0.032 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 0.017 0.000 2.061 97 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 97 Q C 2.203 178.210 176.000 0.012 0.000 0.984 97 Q CA 1.865 57.676 55.803 0.013 0.000 0.846 97 Q CB -0.381 28.364 28.738 0.011 0.000 0.902 97 Q HN 0.595 nan 8.270 nan 0.000 0.421 98 A N 0.817 123.645 122.820 0.012 0.000 1.883 98 A HA -0.186 4.135 4.320 0.000 0.000 0.217 98 A C 2.006 179.596 177.584 0.011 0.000 1.186 98 A CA 1.587 53.630 52.037 0.011 0.000 0.624 98 A CB -0.708 18.299 19.000 0.011 0.000 0.822 98 A HN 0.501 nan 8.150 nan 0.000 0.444 99 I N -0.560 120.018 120.570 0.013 0.000 2.252 99 I HA -0.229 3.941 4.170 0.000 0.000 0.245 99 I C 2.301 178.425 176.117 0.012 0.000 1.102 99 I CA 1.221 62.529 61.300 0.013 0.000 1.385 99 I CB -0.326 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 0.287 120.866 120.570 0.014 0.000 2.179 100 I HA -0.273 3.897 4.170 0.000 0.000 0.242 100 I C 2.575 178.698 176.117 0.011 0.000 1.088 100 I CA 1.520 62.828 61.300 0.014 0.000 1.357 100 I CB -0.565 37.444 38.000 0.015 0.000 1.051 100 I HN 0.224 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 0.000 0.000 0.267 101 T C 1.831 176.535 174.700 0.007 0.000 1.039 101 T CA 1.367 63.472 62.100 0.008 0.000 1.153 101 T CB -0.181 68.691 68.868 0.007 0.000 0.863 101 T HN 0.286 nan 8.240 nan 0.000 0.428 102 E N 0.567 120.772 120.200 0.007 0.000 2.152 102 E HA 0.007 4.357 4.350 0.000 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 0.007 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 3.751 3.960 0.000 0.000 0.216 103 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 103 G C 1.712 176.617 174.900 0.008 0.000 1.171 103 G CA 0.401 45.506 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 0.009 0.000 2.201 104 L HA 0.007 4.347 4.340 0.000 0.000 0.212 104 L C 2.901 179.775 176.870 0.006 0.000 1.105 104 L CA 0.875 55.720 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 0.091 120.494 120.400 0.006 0.000 2.057 105 K HA -0.118 4.202 4.320 0.000 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 0.000 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 -0.187 119.731 119.914 0.007 0.000 2.358 107 V HA -0.224 3.896 4.120 0.000 0.000 0.246 107 V C 3.030 179.128 176.094 0.007 0.000 1.047 107 V CA 1.846 64.151 62.300 0.008 0.000 1.035 107 V CB -1.138 30.691 31.823 0.010 0.000 0.658 107 V HN 0.598 nan 8.190 nan 0.000 0.452 108 A N -0.037 122.787 122.820 0.006 0.000 2.019 108 A HA -0.050 4.270 4.320 0.000 0.000 0.219 108 A C 2.275 179.861 177.584 0.003 0.000 1.164 108 A CA 1.751 53.791 52.037 0.004 0.000 0.644 108 A CB -0.572 18.429 19.000 0.003 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 4.703 4.320 0.000 0.000 0.212 109 A C 1.796 179.381 177.584 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 0.000 0.000 0.213 110 G HA3 -0.199 3.761 3.960 0.000 0.000 0.213 110 G C 0.162 175.064 174.900 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 0.873 120.476 119.600 0.005 0.000 2.242 111 M HA 0.234 4.714 4.480 0.000 0.000 0.344 111 M C 0.699 177.002 176.300 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 3.097 121.801 118.700 0.006 0.000 2.427 112 N HA 0.061 4.801 4.740 0.000 0.000 0.269 112 N C -2.069 173.446 175.510 0.008 0.000 1.235 112 N CA -1.159 51.896 53.050 0.007 0.000 0.934 112 N CB 0.989 39.480 38.487 0.006 0.000 1.121 112 N HN 0.300 nan 8.380 nan 0.000 0.480 113 P HA -0.155 nan 4.420 nan 0.000 0.216 113 P C 1.660 178.967 177.300 0.010 0.000 1.153 113 P CA 1.427 64.534 63.100 0.012 0.000 0.858 113 P CB 0.208 31.917 31.700 0.015 0.000 0.789 114 M N -0.975 118.631 119.600 0.010 0.000 2.159 114 M HA -0.128 4.352 4.480 0.000 0.000 0.263 114 M C 1.503 177.807 176.300 0.007 0.000 1.063 114 M CA 1.643 56.949 55.300 0.009 0.000 1.110 114 M CB -1.703 30.902 32.600 0.009 0.000 1.374 114 M HN -0.006 nan 8.290 nan 0.000 0.411 115 D N 0.502 120.906 120.400 0.006 0.000 2.123 115 D HA -0.027 4.613 4.640 0.000 0.000 0.200 115 D C 2.347 178.650 176.300 0.005 0.000 0.976 115 D CA 0.892 54.895 54.000 0.005 0.000 0.831 115 D CB -0.120 40.683 40.800 0.004 0.000 0.974 115 D HN 0.313 nan 8.370 nan 0.000 0.469 116 L N 0.817 122.043 121.223 0.006 0.000 2.012 116 L HA -0.206 4.134 4.340 0.000 0.000 0.210 116 L C 2.540 179.414 176.870 0.005 0.000 1.073 116 L CA 1.308 56.151 54.840 0.006 0.000 0.748 116 L CB -0.353 41.710 42.059 0.007 0.000 0.891 116 L HN -0.007 nan 8.230 nan 0.000 0.431 117 K N 0.295 120.698 120.400 0.006 0.000 2.097 117 K HA -0.233 4.087 4.320 0.000 0.000 0.206 117 K C 2.314 178.916 176.600 0.003 0.000 1.049 117 K CA 1.329 57.619 56.287 0.005 0.000 0.933 117 K CB -0.032 32.472 32.500 0.007 0.000 0.717 117 K HN 0.077 nan 8.250 nan 0.000 0.442 118 R N -0.201 120.301 120.500 0.003 0.000 2.081 118 R HA -0.081 4.259 4.340 0.000 0.000 0.235 118 R C 2.291 178.591 176.300 0.000 0.000 1.131 118 R CA 1.731 57.832 56.100 0.001 0.000 0.960 118 R CB -0.571 29.730 30.300 0.001 0.000 0.856 118 R HN 0.393 nan 8.270 nan 0.000 0.436 119 G N 0.910 109.711 108.800 0.001 0.000 2.421 119 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 119 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 119 G C 1.452 176.352 174.900 0.000 0.000 1.171 119 G CA 0.963 46.064 45.100 0.001 0.000 0.775 119 G HN 0.273 nan 8.290 nan 0.000 0.543 120 I N 0.997 121.567 120.570 0.001 0.000 2.163 120 I HA -0.173 3.997 4.170 0.000 0.000 0.243 120 I C 2.355 178.470 176.117 -0.003 0.000 1.085 120 I CA 1.332 62.632 61.300 0.000 0.000 1.347 120 I CB -0.204 37.798 38.000 0.002 0.000 1.044 120 I HN 0.060 nan 8.210 nan 0.000 0.408 121 D N 0.744 121.142 120.400 -0.005 0.000 2.123 121 D HA -0.220 4.421 4.640 0.000 0.000 0.196 121 D C 2.084 178.378 176.300 -0.010 0.000 0.992 121 D CA 1.254 55.248 54.000 -0.010 0.000 0.833 121 D CB -0.210 40.585 40.800 -0.009 0.000 0.954 121 D HN 0.297 nan 8.370 nan 0.000 0.455 122 K N 0.625 121.021 120.400 -0.006 0.000 2.026 122 K HA -0.098 4.222 4.320 0.000 0.000 0.208 122 K C 2.042 178.638 176.600 -0.006 0.000 1.048 122 K CA 1.272 57.555 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 0.644 123.461 122.820 -0.004 0.000 1.908 123 A HA -0.125 4.195 4.320 0.000 0.000 0.218 123 A C 2.233 179.814 177.584 -0.006 0.000 1.181 123 A CA 1.750 53.785 52.037 -0.003 0.000 0.627 123 A CB -0.681 18.318 19.000 -0.001 0.000 0.818 123 A HN 0.189 nan 8.150 nan 0.000 0.445 124 V N -0.415 119.494 119.914 -0.009 0.000 2.427 124 V HA -0.212 3.908 4.120 0.000 0.000 0.248 124 V C 2.724 178.807 176.094 -0.019 0.000 1.051 124 V CA 2.400 64.691 62.300 -0.015 0.000 1.048 124 V CB -1.203 30.607 31.823 -0.023 0.000 0.666 124 V HN 0.609 nan 8.190 nan 0.000 0.456 125 T N 0.113 114.656 114.554 -0.018 0.000 2.674 125 T HA -0.172 4.178 4.350 0.000 0.000 0.265 125 T C 1.941 176.634 174.700 -0.013 0.000 1.039 125 T CA 1.822 63.911 62.100 -0.018 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 1.616 121.525 119.914 -0.009 0.000 2.427 126 V HA -0.116 4.004 4.120 0.000 0.000 0.248 126 V C 2.853 178.945 176.094 -0.004 0.000 1.051 126 V CA 1.512 63.809 62.300 -0.005 0.000 1.048 126 V CB -1.199 30.622 31.823 -0.003 0.000 0.666 126 V HN 0.516 nan 8.190 nan 0.000 0.456 127 A N -0.056 122.762 122.820 -0.004 0.000 1.908 127 A HA -0.165 4.155 4.320 0.000 0.000 0.218 127 A C 2.395 179.977 177.584 -0.003 0.000 1.181 127 A CA 2.118 54.154 52.037 -0.002 0.000 0.627 127 A CB -0.671 18.328 19.000 -0.002 0.000 0.818 127 A HN 0.343 nan 8.150 nan 0.000 0.445 128 V N 0.047 119.955 119.914 -0.010 0.000 2.358 128 V HA -0.267 3.853 4.120 0.000 0.000 0.246 128 V C 2.389 178.479 176.094 -0.007 0.000 1.047 128 V CA 2.281 64.574 62.300 -0.012 0.000 1.035 128 V CB -0.867 30.942 31.823 -0.022 0.000 0.658 128 V HN 0.652 nan 8.190 nan 0.000 0.452 129 E N -0.059 120.137 120.200 -0.006 0.000 2.051 129 E HA -0.284 4.066 4.350 0.000 0.000 0.192 129 E C 2.245 178.845 176.600 0.000 0.000 0.991 129 E CA 1.470 57.868 56.400 -0.003 0.000 0.799 129 E CB -0.160 29.538 29.700 -0.003 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 0.001 0.000 2.204 130 E HA -0.167 4.183 4.350 0.000 0.000 0.195 130 E C 1.781 178.385 176.600 0.007 0.000 0.990 130 E CA 0.475 56.878 56.400 0.005 0.000 0.821 130 E CB -0.085 29.618 29.700 0.006 0.000 0.750 130 E HN 0.106 nan 8.360 nan 0.000 0.477 131 L N 0.615 121.841 121.223 0.005 0.000 2.093 131 L HA -0.050 4.290 4.340 0.000 0.000 0.208 131 L C 1.838 178.712 176.870 0.007 0.000 1.085 131 L CA 1.768 56.612 54.840 0.007 0.000 0.755 131 L CB -0.281 41.781 42.059 0.005 0.000 0.904 131 L HN 0.004 nan 8.230 nan 0.000 0.435 132 K N -0.915 119.488 120.400 0.005 0.000 2.057 132 K HA -0.072 4.248 4.320 0.000 0.000 0.206 132 K C 2.083 178.687 176.600 0.006 0.000 1.050 132 K CA 1.183 57.473 56.287 0.005 0.000 0.935 132 K CB -0.327 32.174 32.500 0.002 0.000 0.715 132 K HN 0.404 nan 8.250 nan 0.000 0.439 133 A N 1.396 124.219 122.820 0.006 0.000 1.940 133 A HA -0.136 4.184 4.320 0.000 0.000 0.219 133 A C 2.023 179.613 177.584 0.010 0.000 1.176 133 A CA 1.331 53.373 52.037 0.008 0.000 0.631 133 A CB -0.582 18.422 19.000 0.007 0.000 0.814 133 A HN 0.177 nan 8.150 nan 0.000 0.446 134 L N -0.513 120.717 121.223 0.012 0.000 2.418 134 L HA 0.036 4.376 4.340 0.000 0.000 0.218 134 L C 1.377 178.256 176.870 0.015 0.000 1.125 134 L CA 0.094 54.943 54.840 0.015 0.000 0.835 134 L CB -0.410 41.659 42.059 0.018 0.000 0.953 134 L HN 0.308 nan 8.230 nan 0.000 0.454 135 S N 0.402 116.109 115.700 0.012 0.000 2.546 135 S HA 0.128 4.598 4.470 0.000 0.000 0.290 135 S C -0.094 174.512 174.600 0.011 0.000 1.290 135 S CA -0.392 57.815 58.200 0.012 0.000 1.069 135 S CB 0.555 63.761 63.200 0.010 0.000 0.846 135 S HN -0.029 nan 8.310 nan 0.000 0.495 136 V N 8.708 128.629 119.914 0.012 0.000 2.439 136 V HA 0.363 4.483 4.120 0.000 0.000 0.282 136 V C -1.966 174.134 176.094 0.009 0.000 1.039 136 V CA -1.840 60.467 62.300 0.011 0.000 0.913 136 V CB 1.346 33.177 31.823 0.012 0.000 0.983 136 V HN 0.763 nan 8.190 nan 0.000 0.460 137 P HA 0.126 nan 4.420 nan 0.000 0.270 137 P C -0.594 176.709 177.300 0.006 0.000 1.223 137 P CA -0.193 62.911 63.100 0.006 0.000 0.785 137 P CB 0.441 32.144 31.700 0.005 0.000 0.923 138 C N 2.101 121.403 119.300 0.004 0.000 3.445 138 C HA 0.376 4.836 4.460 0.000 0.000 0.213 138 C C 1.264 176.255 174.990 0.002 0.000 1.319 138 C CA 0.112 59.132 59.018 0.003 0.000 1.402 138 C CB -1.549 26.193 27.740 0.003 0.000 1.819 138 C HN 0.525 nan 8.230 nan 0.000 0.491 139 S N 0.953 116.654 115.700 0.002 0.000 2.510 139 S HA 0.071 4.541 4.470 0.000 0.000 0.230 139 S C 0.557 175.158 174.600 0.001 0.000 1.066 139 S CA 0.246 58.447 58.200 0.001 0.000 0.941 139 S CB -0.093 63.108 63.200 0.002 0.000 0.829 139 S HN 0.938 nan 8.310 nan 0.000 0.530 140 D N 1.806 122.207 120.400 0.002 0.000 2.344 140 D HA 0.094 4.735 4.640 0.000 0.000 0.244 140 D C 0.966 177.267 176.300 0.001 0.000 1.134 140 D CA 0.346 54.346 54.000 0.002 0.000 0.930 140 D CB 1.081 41.883 40.800 0.002 0.000 1.175 140 D HN 0.252 nan 8.370 nan 0.000 0.437 141 S N 1.003 116.704 115.700 0.001 0.000 2.419 141 S HA -0.267 4.203 4.470 0.000 0.000 0.235 141 S C 1.686 176.287 174.600 0.002 0.000 1.019 141 S CA 1.035 59.236 58.200 0.001 0.000 0.982 141 S CB -0.346 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 1.752 122.153 120.400 0.002 0.000 2.025 142 K HA 0.008 4.328 4.320 0.000 0.000 0.207 142 K C 2.395 178.996 176.600 0.003 0.000 1.049 142 K CA 1.138 57.427 56.287 0.002 0.000 0.933 142 K CB -0.662 31.840 32.500 0.003 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 0.003 0.000 1.877 143 A HA -0.148 4.172 4.320 0.000 0.000 0.216 143 A C 2.107 179.693 177.584 0.003 0.000 1.186 143 A CA 1.582 53.621 52.037 0.004 0.000 0.620 143 A CB -0.643 18.359 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 0.002 0.000 2.208 144 I HA -0.311 3.859 4.170 0.000 0.000 0.245 144 I C 2.973 179.092 176.117 0.003 0.000 1.097 144 I CA 1.107 62.408 61.300 0.002 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 0.254 123.075 122.820 0.003 0.000 1.877 145 A HA -0.256 4.064 4.320 0.000 0.000 0.216 145 A C 2.267 179.853 177.584 0.003 0.000 1.186 145 A CA 1.581 53.619 52.037 0.003 0.000 0.620 145 A CB -0.648 18.354 19.000 0.002 0.000 0.822 145 A HN 0.444 nan 8.150 nan 0.000 0.443 146 Q N -0.533 119.269 119.800 0.003 0.000 2.030 146 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 146 Q C 2.190 178.193 176.000 0.004 0.000 0.986 146 Q CA 1.924 57.729 55.803 0.003 0.000 0.843 146 Q CB -0.432 28.308 28.738 0.003 0.000 0.904 146 Q HN 0.474 nan 8.270 nan 0.000 0.420 147 V N 0.469 120.386 119.914 0.005 0.000 2.332 147 V HA -0.251 3.869 4.120 0.000 0.000 0.248 147 V C 2.216 178.316 176.094 0.009 0.000 1.055 147 V CA 2.012 64.317 62.300 0.007 0.000 1.038 147 V CB -1.277 30.551 31.823 0.009 0.000 0.651 147 V HN 0.585 nan 8.190 nan 0.000 0.450 148 G N -0.522 108.283 108.800 0.008 0.000 2.440 148 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 148 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 148 G C 1.689 176.593 174.900 0.007 0.000 1.154 148 G CA 1.583 46.688 45.100 0.009 0.000 0.767 148 G HN 0.477 nan 8.290 nan 0.000 0.552 149 T N 1.456 116.013 114.554 0.004 0.000 2.674 149 T HA -0.073 4.277 4.350 0.000 0.000 0.265 149 T C 2.390 177.090 174.700 0.001 0.000 1.039 149 T CA 1.120 63.221 62.100 0.002 0.000 1.150 149 T CB -0.204 68.665 68.868 0.001 0.000 0.864 149 T HN 0.248 nan 8.240 nan 0.000 0.427 150 I N 1.319 121.889 120.570 0.001 0.000 2.264 150 I HA -0.164 4.006 4.170 0.000 0.000 0.248 150 I C 2.396 178.514 176.117 0.001 0.000 1.111 150 I CA 1.065 62.364 61.300 -0.001 0.000 1.382 150 I CB -0.346 37.654 38.000 -0.000 0.000 1.060 150 I HN 0.187 nan 8.210 nan 0.000 0.418 151 S N 0.476 116.179 115.700 0.006 0.000 2.522 151 S HA 0.112 4.582 4.470 0.000 0.000 0.227 151 S C 1.595 176.199 174.600 0.007 0.000 0.986 151 S CA 0.763 58.969 58.200 0.009 0.000 0.929 151 S CB 0.055 63.267 63.200 0.020 0.000 0.769 151 S HN 0.495 nan 8.310 nan 0.000 0.529 152 A N 1.483 124.306 122.820 0.004 0.000 2.507 152 A HA 0.448 4.768 4.320 0.000 0.000 0.270 152 A C 0.642 178.225 177.584 -0.002 0.000 1.318 152 A CA -0.338 51.701 52.037 0.003 0.000 0.924 152 A CB -0.555 18.447 19.000 0.004 0.000 1.061 152 A HN 0.381 nan 8.150 nan 0.000 0.516 153 N N -0.484 118.214 118.700 -0.004 0.000 2.783 153 N HA -0.220 4.520 4.740 0.000 0.000 0.247 153 N C 0.216 175.722 175.510 -0.007 0.000 1.089 153 N CA 1.112 54.158 53.050 -0.007 0.000 0.690 153 N CB -1.892 36.590 38.487 -0.008 0.000 0.991 153 N HN 0.521 nan 8.380 nan 0.000 0.552 154 S N -1.763 113.933 115.700 -0.006 0.000 3.361 154 S HA -0.225 4.245 4.470 0.000 0.000 0.288 154 S C -0.357 174.241 174.600 -0.004 0.000 1.269 154 S CA 0.772 58.968 58.200 -0.006 0.000 0.976 154 S CB -1.102 62.093 63.200 -0.008 0.000 1.162 154 S HN 0.737 nan 8.310 nan 0.000 0.643 155 D N 1.635 122.034 120.400 -0.003 0.000 2.453 155 D HA 0.206 4.846 4.640 0.000 0.000 0.223 155 D C 1.117 177.417 176.300 -0.000 0.000 1.183 155 D CA -0.156 53.843 54.000 -0.002 0.000 0.933 155 D CB 0.376 41.175 40.800 -0.001 0.000 1.038 155 D HN 0.487 nan 8.370 nan 0.000 0.513 156 E N 1.171 121.370 120.200 -0.001 0.000 2.267 156 E HA -0.140 4.210 4.350 0.000 0.000 0.197 156 E C 1.346 177.947 176.600 0.001 0.000 0.998 156 E CA 0.911 57.311 56.400 -0.000 0.000 0.830 156 E CB 0.319 30.019 29.700 -0.000 0.000 0.751 156 E HN 0.464 nan 8.360 nan 0.000 0.491 157 T N 0.756 115.310 114.554 0.000 0.000 2.643 157 T HA -0.134 4.216 4.350 0.000 0.000 0.264 157 T C 2.128 176.829 174.700 0.002 0.000 1.045 157 T CA 1.268 63.368 62.100 0.001 0.000 1.155 157 T CB -0.261 68.607 68.868 0.000 0.000 0.863 157 T HN 0.002 nan 8.240 nan 0.000 0.420 158 V N 1.538 121.454 119.914 0.002 0.000 2.380 158 V HA -0.161 3.959 4.120 0.000 0.000 0.251 158 V C 2.815 178.912 176.094 0.004 0.000 1.063 158 V CA 1.962 64.264 62.300 0.004 0.000 1.055 158 V CB -1.464 30.362 31.823 0.004 0.000 0.657 158 V HN 0.629 nan 8.190 nan 0.000 0.455 159 G N -0.281 108.521 108.800 0.003 0.000 2.446 159 G HA2 -0.330 3.630 3.960 0.000 0.000 0.217 159 G HA3 -0.330 3.630 3.960 0.000 0.000 0.217 159 G C 1.628 176.530 174.900 0.003 0.000 1.168 159 G CA 1.140 46.242 45.100 0.003 0.000 0.771 159 G HN 0.520 nan 8.290 nan 0.000 0.551 160 K N 0.013 120.414 120.400 0.002 0.000 2.026 160 K HA 0.026 4.346 4.320 0.000 0.000 0.208 160 K C 2.539 179.140 176.600 0.002 0.000 1.048 160 K CA 0.867 57.155 56.287 0.002 0.000 0.929 160 K CB -0.316 32.185 32.500 0.001 0.000 0.713 160 K HN 0.331 nan 8.250 nan 0.000 0.439 161 L N 1.001 122.225 121.223 0.002 0.000 1.971 161 L HA -0.266 4.074 4.340 0.000 0.000 0.215 161 L C 2.517 179.388 176.870 0.002 0.000 1.072 161 L CA 1.686 56.527 54.840 0.002 0.000 0.758 161 L CB -0.464 41.596 42.059 0.003 0.000 0.889 161 L HN 0.280 nan 8.230 nan 0.000 0.433 162 I N -0.449 120.123 120.570 0.003 0.000 2.194 162 I HA -0.336 3.834 4.170 0.000 0.000 0.246 162 I C 2.759 178.876 176.117 0.001 0.000 1.093 162 I CA 1.274 62.576 61.300 0.003 0.000 1.355 162 I CB -0.523 37.480 38.000 0.004 0.000 1.046 162 I HN 0.272 nan 8.210 nan 0.000 0.413 163 A N 0.525 123.346 122.820 0.001 0.000 1.902 163 A HA -0.222 4.098 4.320 0.000 0.000 0.217 163 A C 2.220 179.804 177.584 -0.000 0.000 1.181 163 A CA 1.749 53.786 52.037 0.000 0.000 0.623 163 A CB -0.556 18.445 19.000 0.001 0.000 0.818 163 A HN 0.480 nan 8.150 nan 0.000 0.443 164 E N -0.207 119.993 120.200 0.000 0.000 2.072 164 E HA -0.060 4.290 4.350 0.000 0.000 0.191 164 E C 2.321 178.921 176.600 -0.000 0.000 0.985 164 E CA 0.827 57.227 56.400 0.000 0.000 0.801 164 E CB -0.302 29.398 29.700 0.000 0.000 0.750 164 E HN 0.608 nan 8.360 nan 0.000 0.452 165 A N 1.397 124.217 122.820 -0.000 0.000 1.902 165 A HA -0.175 4.145 4.320 0.000 0.000 0.217 165 A C 2.169 179.752 177.584 -0.002 0.000 1.181 165 A CA 1.397 53.434 52.037 -0.001 0.000 0.623 165 A CB -0.442 18.557 19.000 -0.001 0.000 0.818 165 A HN 0.138 nan 8.150 nan 0.000 0.443 166 M N -1.113 118.485 119.600 -0.003 0.000 2.394 166 M HA -0.090 4.390 4.480 0.000 0.000 0.264 166 M C 1.643 177.941 176.300 -0.003 0.000 1.073 166 M CA 1.555 56.852 55.300 -0.004 0.000 1.111 166 M CB -0.386 32.211 32.600 -0.005 0.000 1.401 166 M HN 0.479 nan 8.290 nan 0.000 0.448 167 D N 0.589 120.988 120.400 -0.002 0.000 2.224 167 D HA -0.102 4.538 4.640 0.000 0.000 0.205 167 D C 2.005 178.305 176.300 -0.001 0.000 0.965 167 D CA 1.030 55.030 54.000 -0.001 0.000 0.852 167 D CB 0.370 41.170 40.800 -0.001 0.000 0.947 167 D HN 0.009 nan 8.370 nan 0.000 0.494 168 K N 0.001 120.401 120.400 -0.001 0.000 1.980 168 K HA -0.012 4.308 4.320 0.000 0.000 0.208 168 K C 2.027 178.627 176.600 -0.001 0.000 1.043 168 K CA 1.332 57.619 56.287 -0.001 0.000 0.938 168 K CB -0.798 31.702 32.500 -0.001 0.000 0.724 168 K HN 0.246 nan 8.250 nan 0.000 0.438 169 V N -1.715 118.198 119.914 -0.001 0.000 3.633 169 V HA 0.339 4.459 4.120 0.000 0.000 0.283 169 V C 0.563 176.656 176.094 -0.002 0.000 1.305 169 V CA 0.223 62.523 62.300 -0.001 0.000 1.153 169 V CB -0.816 31.006 31.823 -0.001 0.000 0.950 169 V HN 0.442 nan 8.190 nan 0.000 0.432 170 G N 1.988 110.787 108.800 -0.003 0.000 2.716 170 G HA2 -0.206 3.754 3.960 0.000 0.000 0.686 170 G HA3 -0.206 3.754 3.960 0.000 0.000 0.686 170 G C 0.173 175.070 174.900 -0.005 0.000 1.337 170 G CA -0.071 45.027 45.100 -0.003 0.000 0.829 170 G HN 0.763 nan 8.290 nan 0.000 0.599 171 K N -0.148 120.248 120.400 -0.006 0.000 2.515 171 K HA 0.043 4.363 4.320 0.000 0.000 0.196 171 K C 1.038 177.630 176.600 -0.012 0.000 1.038 171 K CA 1.584 57.866 56.287 -0.009 0.000 0.967 171 K CB 0.308 32.803 32.500 -0.008 0.000 0.780 171 K HN 0.428 nan 8.250 nan 0.000 0.483 172 E N 1.207 121.401 120.200 -0.010 0.000 2.476 172 E HA 0.085 4.435 4.350 0.000 0.000 0.199 172 E C 0.901 177.496 176.600 -0.009 0.000 1.021 172 E CA 0.121 56.515 56.400 -0.010 0.000 0.907 172 E CB 0.705 30.401 29.700 -0.006 0.000 0.974 172 E HN 0.416 nan 8.360 nan 0.000 0.489 173 G N 1.025 109.820 108.800 -0.008 0.000 2.651 173 G HA2 0.266 4.226 3.960 0.000 0.000 0.260 173 G HA3 0.266 4.226 3.960 0.000 0.000 0.260 173 G C 0.145 175.040 174.900 -0.008 0.000 1.216 173 G CA -0.464 44.633 45.100 -0.005 0.000 0.913 173 G HN -0.058 nan 8.290 nan 0.000 0.535 174 V N 0.480 120.392 119.914 -0.004 0.000 2.546 174 V HA 0.427 4.547 4.120 0.000 0.000 0.284 174 V C 0.283 176.374 176.094 -0.007 0.000 1.050 174 V CA 0.067 62.362 62.300 -0.007 0.000 0.981 174 V CB 0.833 32.656 31.823 -0.000 0.000 0.990 174 V HN 0.451 nan 8.190 nan 0.000 0.474 175 I N 3.492 124.056 120.570 -0.010 0.000 2.607 175 I HA 0.525 4.695 4.170 0.000 0.000 0.290 175 I C -0.289 175.825 176.117 -0.005 0.000 1.129 175 I CA -0.184 61.112 61.300 -0.006 0.000 1.042 175 I CB 2.602 40.597 38.000 -0.007 0.000 1.242 175 I HN 0.585 nan 8.210 nan 0.000 0.421 176 T N 4.311 118.864 114.554 -0.002 0.000 2.901 176 T HA 0.683 5.034 4.350 0.000 0.000 0.293 176 T C -0.765 173.937 174.700 0.003 0.000 1.084 176 T CA -0.714 61.387 62.100 0.000 0.000 1.008 176 T CB 2.598 71.465 68.868 -0.001 0.000 1.170 176 T HN 0.458 nan 8.240 nan 0.000 0.509 177 V N -0.788 119.129 119.914 0.005 0.000 2.638 177 V HA 0.843 4.963 4.120 0.000 0.000 0.306 177 V C -1.065 175.032 176.094 0.004 0.000 1.052 177 V CA -0.799 61.504 62.300 0.005 0.000 0.885 177 V CB 1.723 33.551 31.823 0.009 0.000 0.999 177 V HN 0.939 nan 8.190 nan 0.000 0.424 178 E N 1.990 122.191 120.200 0.002 0.000 2.392 178 E HA 0.432 4.782 4.350 0.000 0.000 0.269 178 E C -1.440 175.160 176.600 0.001 0.000 0.924 178 E CA -1.060 55.340 56.400 0.001 0.000 0.784 178 E CB 1.821 31.520 29.700 -0.001 0.000 1.292 178 E HN 0.788 nan 8.360 nan 0.000 0.447 179 D N 0.995 121.395 120.400 -0.000 0.000 2.472 179 D HA 0.106 4.746 4.640 0.000 0.000 0.237 179 D C 0.172 176.472 176.300 -0.001 0.000 1.141 179 D CA 0.474 54.474 54.000 -0.000 0.000 0.875 179 D CB 0.911 41.710 40.800 -0.001 0.000 1.192 179 D HN 0.486 nan 8.370 nan 0.000 0.450 180 G N -0.285 108.515 108.800 -0.001 0.000 2.562 180 G HA2 0.246 4.206 3.960 0.000 0.000 0.275 180 G HA3 0.246 4.206 3.960 0.000 0.000 0.275 180 G C 1.119 176.018 174.900 -0.002 0.000 1.196 180 G CA -0.231 44.868 45.100 -0.001 0.000 0.908 180 G HN 0.443 nan 8.290 nan 0.000 0.524 181 T N -2.910 111.642 114.554 -0.002 0.000 3.055 181 T HA 0.388 4.738 4.350 0.000 0.000 0.265 181 T C 1.113 175.812 174.700 -0.002 0.000 1.111 181 T CA 0.797 62.896 62.100 -0.002 0.000 1.118 181 T CB -0.079 68.788 68.868 -0.002 0.000 0.909 181 T HN 2.090 nan 8.240 nan 0.000 0.501 182 G N 1.454 110.253 108.800 -0.001 0.000 3.160 182 G HA2 0.347 4.307 3.960 0.000 0.000 0.573 182 G HA3 0.347 4.307 3.960 0.000 0.000 0.573 182 G C -0.829 174.070 174.900 -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 0.915 122.137 121.223 -0.001 0.000 0.917 183 L HA -0.158 4.182 4.340 0.000 0.000 0.366 183 L C 0.324 177.193 176.870 -0.001 0.000 1.004 183 L CA 2.215 57.054 54.840 -0.001 0.000 1.219 183 L CB -0.735 41.323 42.059 -0.001 0.000 0.252 183 L HN 1.980 nan 8.230 nan 0.000 0.192 184 Q N 1.968 121.767 119.800 -0.001 0.000 3.203 184 Q HA -0.093 4.247 4.340 0.000 0.000 0.033 184 Q C -0.649 175.351 176.000 -0.000 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 2.543 122.943 120.400 -0.000 0.000 2.329 185 D HA 0.312 4.952 4.640 0.000 0.000 0.246 185 D C -0.100 176.200 176.300 -0.000 0.000 1.111 185 D CA 0.041 54.041 54.000 0.000 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 0.050 120.250 120.200 -0.000 0.000 2.272 186 E HA 0.457 4.807 4.350 0.000 0.000 0.269 186 E C -1.180 175.420 176.600 -0.000 0.000 0.877 186 E CA -0.860 55.540 56.400 -0.000 0.000 0.755 186 E CB 2.457 32.156 29.700 -0.001 0.000 1.192 186 E HN 0.069 nan 8.360 nan 0.000 0.422 187 L N 4.161 125.384 121.223 -0.000 0.000 2.406 187 L HA 0.440 4.780 4.340 0.000 0.000 0.270 187 L C -1.829 175.041 176.870 -0.000 0.000 0.982 187 L CA -0.305 54.535 54.840 -0.000 0.000 0.843 187 L CB 1.157 43.216 42.059 0.000 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 -0.000 0.000 2.857 188 D HA 0.360 5.000 4.640 0.000 0.000 0.227 188 D C -1.041 175.259 176.300 0.000 0.000 1.192 188 D CA -0.472 53.528 54.000 -0.000 0.000 0.857 188 D CB 2.239 43.038 40.800 -0.001 0.000 1.645 188 D HN 0.238 nan 8.370 nan 0.000 0.482 189 V N 1.125 121.040 119.914 0.000 0.000 2.406 189 V HA 0.404 4.524 4.120 0.000 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 0.001 0.000 0.915 189 V CB 0.899 32.722 31.823 0.001 0.000 0.988 189 V HN 0.588 nan 8.190 nan 0.000 0.466 190 V N 1.886 121.802 119.914 0.002 0.000 3.103 190 V HA 0.684 4.804 4.120 0.000 0.000 0.318 190 V C -0.152 175.945 176.094 0.005 0.000 1.114 190 V CA -1.010 61.291 62.300 0.003 0.000 1.020 190 V CB 2.134 33.958 31.823 0.002 0.000 1.085 190 V HN 0.665 nan 8.190 nan 0.000 0.446 191 E N 1.601 121.805 120.200 0.006 0.000 2.220 191 E HA 0.580 4.930 4.350 0.000 0.000 0.272 191 E C 0.171 176.779 176.600 0.013 0.000 1.099 191 E CA 0.750 57.155 56.400 0.009 0.000 0.907 191 E CB 0.753 30.457 29.700 0.008 0.000 1.022 191 E HN 1.123 nan 8.360 nan 0.000 0.428 192 G N 1.756 110.566 108.800 0.018 0.000 2.645 192 G HA2 0.681 4.641 3.960 0.000 0.000 0.292 192 G HA3 0.681 4.641 3.960 0.000 0.000 0.292 192 G C -1.158 173.765 174.900 0.038 0.000 1.415 192 G CA -0.591 44.525 45.100 0.027 0.000 0.785 192 G HN 0.389 nan 8.290 nan 0.000 0.483 193 M N -0.294 119.341 119.600 0.059 0.000 2.643 193 M HA 0.561 5.041 4.480 0.000 0.000 0.276 193 M C -2.352 174.018 176.300 0.117 0.000 1.200 193 M CA -0.657 54.694 55.300 0.085 0.000 0.863 193 M CB 2.502 35.162 32.600 0.100 0.000 1.711 193 M HN 0.637 nan 8.290 nan 0.000 0.492 194 Q N 3.176 123.051 119.800 0.126 0.000 2.271 194 Q HA 0.612 4.952 4.340 0.000 0.000 0.268 194 Q C -2.197 173.901 176.000 0.163 0.000 1.021 194 Q CA -0.596 55.254 55.803 0.077 0.000 0.802 194 Q CB 2.072 30.809 28.738 -0.003 0.000 1.282 194 Q HN 0.583 nan 8.270 nan 0.000 0.431 195 F N -0.019 119.926 119.950 -0.009 0.000 2.593 195 F HA 0.530 5.057 4.527 0.000 0.000 0.320 195 F C -0.439 175.354 175.800 -0.011 0.000 1.060 195 F CA -1.295 56.701 58.000 -0.007 0.000 0.940 195 F CB 0.983 39.981 39.000 -0.003 0.000 1.268 195 F HN 0.271 nan 8.300 nan 0.000 0.475 196 D N 3.452 123.924 120.400 0.120 0.000 2.545 196 D HA 0.188 4.828 4.640 0.000 0.000 0.227 196 D C -0.281 176.037 176.300 0.031 0.000 1.150 196 D CA 0.325 54.336 54.000 0.018 0.000 1.046 196 D CB -0.096 40.731 40.800 0.045 0.000 1.098 196 D HN 0.320 nan 8.370 nan 0.000 0.502 197 R N 0.660 121.096 120.500 -0.106 0.000 2.523 197 R HA 0.422 4.762 4.340 0.000 0.000 0.278 197 R C 0.150 176.332 176.300 -0.196 0.000 1.150 197 R CA -0.667 55.398 56.100 -0.058 0.000 0.987 197 R CB 1.783 32.181 30.300 0.164 0.000 1.232 197 R HN 0.285 nan 8.270 nan 0.000 0.424 198 G N 1.155 109.836 108.800 -0.199 0.000 2.557 198 G HA2 0.443 4.403 3.960 0.000 0.000 0.302 198 G HA3 0.443 4.403 3.960 0.000 0.000 0.302 198 G C -0.555 174.202 174.900 -0.237 0.000 1.311 198 G CA -0.551 44.346 45.100 -0.338 0.000 1.030 198 G HN 0.435 nan 8.290 nan 0.000 0.509 199 Y N -1.182 119.127 120.300 0.016 0.000 2.702 199 Y HA 0.259 4.809 4.550 0.000 0.000 0.336 199 Y C 1.147 177.130 175.900 0.138 0.000 1.235 199 Y CA -0.993 57.150 58.100 0.071 0.000 1.492 199 Y CB 0.299 38.863 38.460 0.173 0.000 1.308 199 Y HN 0.173 nan 8.280 nan 0.000 0.589 200 L N 2.845 124.299 121.223 0.384 0.000 2.675 200 L HA 0.088 4.428 4.340 0.000 0.000 0.239 200 L C 0.107 177.234 176.870 0.428 0.000 1.151 200 L CA 0.772 55.815 54.840 0.338 0.000 0.905 200 L CB -1.067 41.154 42.059 0.270 0.000 1.057 200 L HN 0.914 nan 8.230 nan 0.000 0.435 201 S N -3.906 112.145 115.700 0.585 0.000 2.769 201 S HA 0.253 4.724 4.470 0.000 0.000 0.283 201 S C -2.973 171.687 174.600 0.099 0.000 0.936 201 S CA -1.225 57.174 58.200 0.331 0.000 0.893 201 S CB 0.903 64.216 63.200 0.189 0.000 1.125 201 S HN -0.257 nan 8.310 nan 0.000 0.464 202 P HA 0.422 nan 4.420 nan 0.000 0.321 202 P C 0.323 177.327 177.300 -0.493 0.000 1.338 202 P CA 0.536 63.255 63.100 -0.635 0.000 0.764 202 P CB -0.125 31.180 31.700 -0.658 0.000 1.641 203 Y N -4.893 115.209 120.300 -0.329 0.000 2.802 203 Y HA -0.304 4.246 4.550 0.000 0.000 0.485 203 Y C 1.869 177.622 175.900 -0.246 0.000 1.190 203 Y CA 1.498 59.417 58.100 -0.302 0.000 2.757 203 Y CB -3.075 35.145 38.460 -0.400 0.000 0.919 203 Y HN 0.110 nan 8.280 nan 0.000 0.540 204 F N 0.613 120.553 119.950 -0.017 0.000 2.307 204 F HA -0.060 4.467 4.527 0.000 0.000 0.301 204 F C 1.450 177.195 175.800 -0.092 0.000 1.076 204 F CA 0.771 58.750 58.000 -0.036 0.000 1.383 204 F CB -0.581 38.405 39.000 -0.022 0.000 1.055 204 F HN -0.004 nan 8.300 nan 0.000 0.526 205 I N 2.549 123.086 120.570 -0.054 0.000 2.680 205 I HA -0.146 4.024 4.170 0.000 0.000 0.286 205 I C 0.867 176.974 176.117 -0.017 0.000 1.144 205 I CA 0.185 61.432 61.300 -0.089 0.000 1.370 205 I CB -0.091 37.780 38.000 -0.216 0.000 1.420 205 I HN 0.184 nan 8.210 nan 0.000 0.540 206 N N 5.308 124.020 118.700 0.021 0.000 2.373 206 N HA -0.016 4.724 4.740 0.000 0.000 0.181 206 N C 0.085 175.602 175.510 0.012 0.000 1.082 206 N CA 0.273 53.338 53.050 0.024 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 1.051 121.456 120.400 0.007 0.000 2.624 207 K HA 0.243 4.563 4.320 0.000 0.000 0.200 207 K C -2.093 174.506 176.600 -0.002 0.000 1.036 207 K CA -1.741 54.549 56.287 0.005 0.000 1.029 207 K CB 2.029 34.536 32.500 0.012 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 0.271 177.563 177.300 -0.013 0.000 1.144 208 P CA 1.151 64.238 63.100 -0.021 0.000 0.783 208 P CB 0.508 32.192 31.700 -0.027 0.000 0.771 209 E N -0.127 120.068 120.200 -0.007 0.000 2.077 209 E HA -0.097 4.254 4.350 0.000 0.000 0.193 209 E C 1.618 178.215 176.600 -0.005 0.000 0.989 209 E CA 1.718 58.114 56.400 -0.007 0.000 0.800 209 E CB -1.058 28.640 29.700 -0.004 0.000 0.746 209 E HN 0.264 nan 8.360 nan 0.000 0.452 210 T N -1.379 113.178 114.554 0.003 0.000 3.054 210 T HA 0.275 4.625 4.350 0.000 0.000 0.255 210 T C 1.086 175.802 174.700 0.027 0.000 1.035 210 T CA 0.283 62.391 62.100 0.012 0.000 0.941 210 T CB 0.689 69.569 68.868 0.020 0.000 1.026 210 T HN 0.337 nan 8.240 nan 0.000 0.533 211 G N 1.808 110.619 108.800 0.019 0.000 2.258 211 G HA2 -0.059 3.902 3.960 0.000 0.000 0.274 211 G HA3 -0.059 3.902 3.960 0.000 0.000 0.274 211 G C 0.161 175.116 174.900 0.093 0.000 1.021 211 G CA 0.282 45.400 45.100 0.029 0.000 0.798 211 G HN 0.910 nan 8.290 nan 0.000 0.507 212 A N -1.607 121.261 122.820 0.080 0.000 2.387 212 A HA 0.933 5.253 4.320 0.000 0.000 0.298 212 A C -0.250 177.386 177.584 0.087 0.000 1.165 212 A CA -0.237 51.880 52.037 0.133 0.000 0.814 212 A CB 1.960 21.019 19.000 0.098 0.000 1.357 212 A HN 1.146 nan 8.150 nan 0.000 0.443 213 V N 0.766 120.752 119.914 0.120 0.000 2.459 213 V HA 0.556 4.676 4.120 0.000 0.000 0.295 213 V C -0.152 175.976 176.094 0.055 0.000 1.029 213 V CA -0.390 61.962 62.300 0.086 0.000 0.874 213 V CB 1.312 33.206 31.823 0.119 0.000 0.985 213 V HN 0.915 nan 8.190 nan 0.000 0.438 214 E N 4.254 124.477 120.200 0.038 0.000 2.224 214 E HA 0.673 5.023 4.350 0.000 0.000 0.265 214 E C -1.792 174.817 176.600 0.015 0.000 0.878 214 E CA -0.589 55.824 56.400 0.021 0.000 0.759 214 E CB 1.710 31.419 29.700 0.016 0.000 1.164 214 E HN 0.631 nan 8.360 nan 0.000 0.414 215 L N 3.142 124.367 121.223 0.004 0.000 2.362 215 L HA 0.531 4.871 4.340 0.000 0.000 0.271 215 L C -0.461 176.398 176.870 -0.019 0.000 1.002 215 L CA -0.872 53.965 54.840 -0.005 0.000 0.818 215 L CB 2.108 44.163 42.059 -0.007 0.000 1.298 215 L HN 0.512 nan 8.230 nan 0.000 0.420 216 E N 1.021 121.204 120.200 -0.029 0.000 2.158 216 E HA 0.319 4.669 4.350 0.000 0.000 0.271 216 E C -0.464 176.091 176.600 -0.076 0.000 0.911 216 E CA -0.584 55.791 56.400 -0.042 0.000 0.767 216 E CB 1.699 31.380 29.700 -0.031 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 -0.091 0.000 3.550 217 S HA -0.132 4.339 4.470 0.000 0.000 0.372 217 S C -2.133 172.318 174.600 -0.248 0.000 0.966 217 S CA 0.428 58.537 58.200 -0.151 0.000 1.229 217 S CB -1.404 61.709 63.200 -0.144 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 -0.217 176.931 177.300 -0.254 0.000 1.278 218 P CA -0.751 62.225 63.100 -0.207 0.000 0.834 218 P CB 0.607 32.268 31.700 -0.066 0.000 1.150 219 F N -0.087 119.869 119.950 0.008 0.000 2.379 219 F HA 0.423 4.950 4.527 0.000 0.000 0.332 219 F C 0.847 176.651 175.800 0.008 0.000 1.096 219 F CA -0.370 57.635 58.000 0.008 0.000 1.105 219 F CB 0.637 39.641 39.000 0.007 0.000 1.189 219 F HN 0.019 nan 8.300 nan 0.000 0.515 220 I N 4.500 125.203 120.570 0.221 0.000 2.420 220 I HA 0.208 4.378 4.170 0.000 0.000 0.282 220 I C -1.093 175.079 176.117 0.092 0.000 1.019 220 I CA -0.859 60.514 61.300 0.122 0.000 1.130 220 I CB 1.472 39.525 38.000 0.089 0.000 1.262 220 I HN 0.268 nan 8.210 nan 0.000 0.454 221 L N 8.294 129.558 121.223 0.069 0.000 2.313 221 L HA 0.369 4.709 4.340 0.000 0.000 0.282 221 L C -0.646 176.239 176.870 0.025 0.000 1.092 221 L CA 0.268 55.130 54.840 0.037 0.000 0.831 221 L CB 0.486 42.561 42.059 0.027 0.000 1.159 221 L HN 0.482 nan 8.230 nan 0.000 0.442 222 L N 6.902 128.132 121.223 0.012 0.000 2.417 222 L HA 0.544 4.885 4.340 0.000 0.000 0.258 222 L C 0.199 177.065 176.870 -0.006 0.000 1.088 222 L CA -0.382 54.457 54.840 -0.002 0.000 0.975 222 L CB 0.554 42.606 42.059 -0.012 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 0.277 4.597 4.320 0.000 0.000 0.300 223 A C -0.035 177.548 177.584 -0.003 0.000 1.235 223 A CA -0.423 51.614 52.037 -0.000 0.000 0.867 223 A CB 0.453 19.457 19.000 0.007 0.000 1.137 223 A HN 0.596 nan 8.150 nan 0.000 0.527 224 D N 2.313 122.709 120.400 -0.006 0.000 2.896 224 D HA 0.348 4.988 4.640 0.000 0.000 0.240 224 D C 0.032 176.333 176.300 0.002 0.000 1.193 224 D CA 0.143 54.139 54.000 -0.007 0.000 0.983 224 D CB -0.599 40.193 40.800 -0.014 0.000 1.074 224 D HN 0.646 nan 8.370 nan 0.000 0.496 225 K N -0.885 119.521 120.400 0.009 0.000 2.999 225 K HA 0.256 4.576 4.320 0.000 0.000 0.295 225 K C -1.231 175.383 176.600 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 0.924 121.339 120.400 0.026 0.000 2.185 226 K HA 0.425 4.746 4.320 0.000 0.000 0.271 226 K C -0.493 176.124 176.600 0.029 0.000 1.013 226 K CA -0.479 55.827 56.287 0.031 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 1.946 122.537 120.570 0.035 0.000 2.411 227 I HA 0.077 4.247 4.170 0.000 0.000 0.284 227 I C 0.291 176.430 176.117 0.037 0.000 1.012 227 I CA -0.096 61.224 61.300 0.034 0.000 1.119 227 I CB 1.823 39.844 38.000 0.036 0.000 1.261 227 I HN 0.640 nan 8.210 nan 0.000 0.448 228 S N 3.317 119.036 115.700 0.031 0.000 2.566 228 S HA 0.195 4.666 4.470 0.000 0.000 0.234 228 S C 0.669 175.285 174.600 0.027 0.000 1.075 228 S CA -0.034 58.184 58.200 0.031 0.000 0.926 228 S CB 0.236 63.451 63.200 0.026 0.000 0.811 228 S HN 0.583 nan 8.310 nan 0.000 0.518 229 N N 1.968 120.681 118.700 0.023 0.000 2.434 229 N HA 0.290 5.030 4.740 0.000 0.000 0.272 229 N C 0.532 176.055 175.510 0.020 0.000 1.040 229 N CA -0.093 52.968 53.050 0.019 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 2.912 123.494 120.570 0.021 0.000 2.454 230 I HA -0.238 3.932 4.170 0.000 0.000 0.254 230 I C 1.990 178.117 176.117 0.016 0.000 1.156 230 I CA 1.061 62.374 61.300 0.022 0.000 1.433 230 I CB 0.206 38.218 38.000 0.021 0.000 1.082 230 I HN 0.431 nan 8.210 nan 0.000 0.432 231 R N 0.902 121.409 120.500 0.012 0.000 2.134 231 R HA -0.268 4.072 4.340 0.000 0.000 0.248 231 R C 2.024 178.328 176.300 0.007 0.000 1.143 231 R CA 2.392 58.497 56.100 0.008 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 -0.086 120.119 120.200 0.008 0.000 2.118 232 E HA -0.194 4.156 4.350 0.000 0.000 0.195 232 E C 2.027 178.630 176.600 0.005 0.000 0.992 232 E CA 1.193 57.597 56.400 0.006 0.000 0.804 232 E CB -0.044 29.661 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 0.010 0.000 2.236 233 M HA -0.026 4.454 4.480 0.000 0.000 0.266 233 M C 2.359 178.663 176.300 0.007 0.000 1.070 233 M CA 0.949 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 0.683 121.910 121.223 0.007 0.000 2.058 234 L HA -0.279 4.061 4.340 0.000 0.000 0.226 234 L C -0.175 176.693 176.870 -0.002 0.000 1.089 234 L CA 2.116 56.958 54.840 0.005 0.000 0.799 234 L CB -2.707 39.354 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 1.851 179.136 177.300 -0.025 0.000 1.157 235 P CA 1.598 64.688 63.100 -0.015 0.000 0.863 235 P CB 0.004 31.694 31.700 -0.016 0.000 0.787 236 V N 0.287 120.184 119.914 -0.027 0.000 2.453 236 V HA -0.165 3.955 4.120 0.000 0.000 0.247 236 V C 2.882 178.955 176.094 -0.035 0.000 1.048 236 V CA 1.248 63.522 62.300 -0.044 0.000 1.049 236 V CB -1.224 30.576 31.823 -0.039 0.000 0.672 236 V HN -0.016 nan 8.190 nan 0.000 0.457 237 L N -0.124 121.093 121.223 -0.009 0.000 2.079 237 L HA -0.207 4.134 4.340 0.000 0.000 0.210 237 L C 2.581 179.455 176.870 0.006 0.000 1.081 237 L CA 1.744 56.589 54.840 0.008 0.000 0.752 237 L CB -0.576 41.495 42.059 0.020 0.000 0.896 237 L HN 0.420 nan 8.230 nan 0.000 0.433 238 E N 0.016 120.214 120.200 -0.004 0.000 2.107 238 E HA -0.140 4.210 4.350 0.000 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 1.038 123.834 122.820 -0.039 0.000 1.972 239 A HA -0.123 4.197 4.320 0.000 0.000 0.219 239 A C 2.381 179.915 177.584 -0.083 0.000 1.169 239 A CA 1.061 53.055 52.037 -0.071 0.000 0.635 239 A CB -0.340 18.594 19.000 -0.112 0.000 0.810 239 A HN 0.118 nan 8.150 nan 0.000 0.446 240 V N -0.618 119.261 119.914 -0.060 0.000 2.951 240 V HA -0.044 4.076 4.120 0.000 0.000 0.255 240 V C 2.840 178.985 176.094 0.085 0.000 1.088 240 V CA 1.116 63.425 62.300 0.016 0.000 1.109 240 V CB -0.808 31.053 31.823 0.064 0.000 0.724 240 V HN 0.579 nan 8.190 nan 0.000 0.471 241 A N 0.087 122.934 122.820 0.045 0.000 1.940 241 A HA -0.153 4.167 4.320 0.000 0.000 0.219 241 A C 1.571 179.188 177.584 0.055 0.000 1.176 241 A CA 1.300 53.366 52.037 0.048 0.000 0.631 241 A CB -0.199 18.818 19.000 0.029 0.000 0.814 241 A HN 0.542 nan 8.150 nan 0.000 0.446 242 K N -2.943 117.485 120.400 0.047 0.000 2.155 242 K HA 0.474 4.794 4.320 0.000 0.000 0.237 242 K C 1.054 177.711 176.600 0.096 0.000 1.040 242 K CA 0.134 56.453 56.287 0.052 0.000 0.912 242 K CB 0.214 32.732 32.500 0.030 0.000 1.137 242 K HN 0.680 nan 8.250 nan 0.000 0.498 243 A N -0.025 122.853 122.820 0.096 0.000 3.721 243 A HA -0.216 4.104 4.320 0.000 0.000 0.270 243 A C 1.120 178.777 177.584 0.122 0.000 1.036 243 A CA 1.481 53.603 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 1.357 nan 8.150 nan 0.000 0.887 244 G N -0.985 107.875 108.800 0.100 0.000 2.421 244 G HA2 -0.255 3.705 3.960 0.000 0.000 0.300 244 G HA3 -0.255 3.705 3.960 0.000 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 4.830 4.320 0.000 0.000 0.251 245 K C -2.275 174.367 176.600 0.071 0.000 0.934 245 K CA -2.070 54.222 56.287 0.009 0.000 0.802 245 K CB 2.907 35.281 32.500 -0.210 0.000 1.171 245 K HN 0.065 nan 8.250 nan 0.000 0.426 246 P HA 0.119 nan 4.420 nan 0.000 0.274 246 P C -1.140 176.212 177.300 0.086 0.000 1.246 246 P CA -0.566 62.563 63.100 0.049 0.000 0.795 246 P CB 0.734 32.444 31.700 0.017 0.000 1.006 247 L N 1.794 123.073 121.223 0.093 0.000 2.362 247 L HA 0.527 4.867 4.340 0.000 0.000 0.275 247 L C -1.288 175.611 176.870 0.047 0.000 0.998 247 L CA -0.979 53.927 54.840 0.111 0.000 0.820 247 L CB 1.540 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 0.000 0.000 0.284 248 L C -1.128 175.756 176.870 0.023 0.000 1.013 248 L CA -0.201 54.647 54.840 0.012 0.000 0.824 248 L CB 1.038 43.114 42.059 0.028 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 -0.011 0.000 2.297 249 I HA 0.252 4.422 4.170 0.000 0.000 0.291 249 I C 0.063 176.194 176.117 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 38.883 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 0.000 0.000 0.280 250 I C 0.558 176.690 176.117 0.025 0.000 1.143 250 I CA -0.169 61.163 61.300 0.052 0.000 1.163 250 I CB 0.684 38.714 38.000 0.049 0.000 1.461 250 I HN 0.600 nan 8.210 nan 0.000 0.530 251 A N 3.087 125.927 122.820 0.033 0.000 2.284 251 A HA 0.388 4.708 4.320 0.000 0.000 0.317 251 A C 1.189 178.793 177.584 0.032 0.000 1.120 251 A CA -0.463 51.590 52.037 0.025 0.000 0.900 251 A CB 0.926 19.944 19.000 0.029 0.000 1.319 251 A HN 0.634 nan 8.150 nan 0.000 0.494 252 E N -0.872 119.346 120.200 0.029 0.000 2.209 252 E HA -0.121 4.229 4.350 0.000 0.000 0.196 252 E C -0.517 176.114 176.600 0.052 0.000 0.993 252 E CA 1.483 57.906 56.400 0.038 0.000 0.819 252 E CB 0.105 29.826 29.700 0.035 0.000 0.745 252 E HN 0.648 nan 8.360 nan 0.000 0.477 253 D N -2.286 118.145 120.400 0.051 0.000 2.954 253 D HA 0.022 4.662 4.640 0.000 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 41.950 40.800 0.058 0.000 1.934 253 D HN -0.133 nan 8.370 nan 0.000 0.458 254 V N 3.063 123.022 119.914 0.074 0.000 2.326 254 V HA 0.409 4.529 4.120 0.000 0.000 0.281 254 V C 0.189 176.334 176.094 0.085 0.000 1.015 254 V CA -0.584 61.764 62.300 0.080 0.000 0.823 254 V CB 1.129 33.012 31.823 0.100 0.000 1.009 254 V HN 0.441 nan 8.190 nan 0.000 0.436 255 E N 2.697 122.937 120.200 0.067 0.000 2.345 255 E HA 0.387 4.737 4.350 0.000 0.000 0.259 255 E C 1.442 178.078 176.600 0.059 0.000 1.117 255 E CA 0.149 56.585 56.400 0.060 0.000 0.913 255 E CB 1.082 30.809 29.700 0.046 0.000 1.057 255 E HN 0.672 nan 8.360 nan 0.000 0.432 256 G N 1.782 110.613 108.800 0.052 0.000 2.864 256 G HA2 -0.452 3.508 3.960 0.000 0.000 0.250 256 G HA3 -0.452 3.508 3.960 0.000 0.000 0.250 256 G C 1.294 176.217 174.900 0.038 0.000 1.154 256 G CA 1.451 46.577 45.100 0.043 0.000 0.755 256 G HN 0.673 nan 8.290 nan 0.000 0.697 257 E N 1.031 121.249 120.200 0.030 0.000 2.072 257 E HA -0.271 4.079 4.350 0.000 0.000 0.218 257 E C 2.970 179.589 176.600 0.032 0.000 1.051 257 E CA 2.174 58.589 56.400 0.025 0.000 0.880 257 E CB -0.922 28.791 29.700 0.022 0.000 0.783 257 E HN 0.431 nan 8.360 nan 0.000 0.473 258 A N 0.915 123.760 122.820 0.041 0.000 1.877 258 A HA -0.184 4.137 4.320 0.000 0.000 0.216 258 A C 2.363 179.991 177.584 0.074 0.000 1.186 258 A CA 1.756 53.824 52.037 0.052 0.000 0.620 258 A CB -0.841 18.191 19.000 0.053 0.000 0.822 258 A HN 0.354 nan 8.150 nan 0.000 0.443 259 L N -0.098 121.179 121.223 0.090 0.000 1.989 259 L HA -0.119 4.221 4.340 0.000 0.000 0.211 259 L C 2.737 179.659 176.870 0.088 0.000 1.071 259 L CA 2.381 57.302 54.840 0.135 0.000 0.749 259 L CB -0.921 41.223 42.059 0.142 0.000 0.890 259 L HN 0.368 nan 8.230 nan 0.000 0.431 260 A N -1.676 121.168 122.820 0.039 0.000 1.917 260 A HA -0.265 4.056 4.320 0.000 0.000 0.219 260 A C 2.265 179.834 177.584 -0.024 0.000 1.182 260 A CA 2.556 54.587 52.037 -0.012 0.000 0.633 260 A CB -1.300 17.693 19.000 -0.012 0.000 0.819 260 A HN 0.564 nan 8.150 nan 0.000 0.448 261 T N 0.453 115.012 114.554 0.008 0.000 2.737 261 T HA -0.074 4.276 4.350 0.000 0.000 0.265 261 T C 1.822 176.536 174.700 0.022 0.000 1.038 261 T CA 1.443 63.548 62.100 0.007 0.000 1.144 261 T CB -0.417 68.464 68.868 0.022 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 0.073 0.000 2.042 262 L HA -0.112 4.228 4.340 0.000 0.000 0.210 262 L C 2.681 179.609 176.870 0.098 0.000 1.076 262 L CA 0.976 55.902 54.840 0.143 0.000 0.749 262 L CB -0.869 41.353 42.059 0.272 0.000 0.893 262 L HN 0.151 nan 8.230 nan 0.000 0.432 263 V N -0.759 119.132 119.914 -0.038 0.000 2.343 263 V HA -0.230 3.891 4.120 0.000 0.000 0.247 263 V C 2.383 178.344 176.094 -0.222 0.000 1.051 263 V CA 1.510 63.648 62.300 -0.271 0.000 1.036 263 V CB -0.284 31.313 31.823 -0.376 0.000 0.654 263 V HN 0.212 nan 8.190 nan 0.000 0.451 264 V N 0.463 120.287 119.914 -0.151 0.000 2.323 264 V HA -0.223 3.897 4.120 0.000 0.000 0.244 264 V C 2.071 178.123 176.094 -0.071 0.000 1.041 264 V CA 2.277 64.500 62.300 -0.128 0.000 1.025 264 V CB -0.951 30.815 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 4.569 4.740 0.000 0.000 0.191 265 N C 1.885 177.403 175.510 0.013 0.000 1.037 265 N CA 1.880 54.930 53.050 0.000 0.000 0.848 265 N CB -0.297 38.204 38.487 0.023 0.000 1.021 265 N HN 0.634 nan 8.380 nan 0.000 0.422 266 T N -1.054 113.524 114.554 0.039 0.000 3.051 266 T HA -0.057 4.293 4.350 0.000 0.000 0.269 266 T C 1.635 176.349 174.700 0.024 0.000 1.127 266 T CA 0.632 62.771 62.100 0.065 0.000 1.107 266 T CB -0.054 68.909 68.868 0.158 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 4.767 4.480 0.000 0.000 0.264 267 M C 1.719 178.000 176.300 -0.032 0.000 1.095 267 M CA 0.959 56.226 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 -0.898 119.589 120.500 -0.021 0.000 2.552 268 R HA 0.385 4.725 4.340 0.000 0.000 0.314 268 R C 1.021 177.321 176.300 0.000 0.000 1.041 268 R CA 0.478 56.569 56.100 -0.014 0.000 1.076 268 R CB -0.092 30.198 30.300 -0.017 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 0.009 0.000 2.228 269 G HA2 -0.312 3.648 3.960 0.000 0.000 0.270 269 G HA3 -0.312 3.648 3.960 0.000 0.000 0.270 269 G C 0.380 175.293 174.900 0.022 0.000 0.976 269 G CA 0.096 45.206 45.100 0.018 0.000 0.636 269 G HN 0.373 nan 8.290 nan 0.000 0.542 270 I N 1.778 122.360 120.570 0.020 0.000 2.455 270 I HA 0.330 4.500 4.170 0.000 0.000 0.303 270 I C 0.854 176.993 176.117 0.036 0.000 1.180 270 I CA -0.136 61.178 61.300 0.023 0.000 1.469 270 I CB -0.231 37.779 38.000 0.016 0.000 1.480 270 I HN 0.152 nan 8.210 nan 0.000 0.669 271 V N 4.283 124.222 119.914 0.042 0.000 3.565 271 V HA -0.236 3.884 4.120 0.000 0.000 0.508 271 V C -0.038 176.097 176.094 0.068 0.000 0.682 271 V CA 0.312 62.645 62.300 0.055 0.000 2.059 271 V CB -0.895 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 4.200 124.642 120.400 0.070 0.000 2.267 272 K HA 0.722 5.042 4.320 0.000 0.000 0.282 272 K C -0.521 176.130 176.600 0.085 0.000 1.078 272 K CA -0.244 56.091 56.287 0.081 0.000 0.903 272 K CB 1.610 34.147 32.500 0.063 0.000 1.111 272 K HN 0.561 nan 8.250 nan 0.000 0.475 273 V N 1.509 121.490 119.914 0.112 0.000 2.760 273 V HA 0.810 4.930 4.120 0.000 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 2.033 33.906 31.823 0.083 0.000 1.008 273 V HN 0.760 nan 8.190 nan 0.000 0.424 274 A N 2.972 125.653 122.820 -0.232 0.000 2.386 274 A HA 1.016 5.336 4.320 0.000 0.000 0.311 274 A C -0.451 176.779 177.584 -0.590 0.000 1.068 274 A CA -0.273 51.312 52.037 -0.754 0.000 0.743 274 A CB 1.867 20.610 19.000 -0.428 0.000 1.258 274 A HN 1.552 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 5.161 4.320 0.000 0.000 0.318 275 A C -0.414 177.092 177.584 -0.130 0.000 1.091 275 A CA -0.121 51.745 52.037 -0.286 0.000 0.763 275 A CB 1.296 20.230 19.000 -0.111 0.000 1.248 275 A HN 2.306 nan 8.150 nan 0.000 0.442 276 V N -0.612 119.296 119.914 -0.010 0.000 2.971 276 V HA 0.615 4.735 4.120 0.000 0.000 0.309 276 V C -0.554 175.606 176.094 0.109 0.000 1.130 276 V CA -1.220 61.116 62.300 0.060 0.000 0.964 276 V CB 1.473 33.336 31.823 0.066 0.000 1.029 276 V HN 0.887 nan 8.190 nan 0.000 0.427 277 K N 1.993 122.465 120.400 0.119 0.000 2.276 277 K HA 0.660 4.980 4.320 0.000 0.000 0.259 277 K C 0.404 177.098 176.600 0.156 0.000 1.001 277 K CA 0.307 56.665 56.287 0.117 0.000 0.927 277 K CB 1.068 33.629 32.500 0.101 0.000 0.969 277 K HN 1.134 nan 8.250 nan 0.000 0.490 278 A N 3.331 126.200 122.820 0.081 0.000 2.371 278 A HA 0.272 4.592 4.320 0.000 0.000 0.257 278 A C -2.096 175.499 177.584 0.018 0.000 1.089 278 A CA -1.367 50.667 52.037 -0.003 0.000 0.794 278 A CB -0.241 18.737 19.000 -0.037 0.000 1.029 278 A HN 0.465 nan 8.150 nan 0.000 0.488 279 P HA 0.327 nan 4.420 nan 0.000 0.269 279 P C 0.734 178.059 177.300 0.041 0.000 1.209 279 P CA 1.521 64.628 63.100 0.012 0.000 0.776 279 P CB 0.504 32.113 31.700 -0.152 0.000 0.876 280 G N 2.160 111.037 108.800 0.128 0.000 2.697 280 G HA2 -0.044 3.916 3.960 0.000 0.000 0.240 280 G HA3 -0.044 3.916 3.960 0.000 0.000 0.240 280 G C -0.779 174.304 174.900 0.305 0.000 1.346 280 G CA 0.105 45.328 45.100 0.204 0.000 0.887 280 G HN 0.780 nan 8.290 nan 0.000 0.569 281 F N -2.835 117.126 119.950 0.018 0.000 2.741 281 F HA 0.797 5.325 4.527 0.000 0.000 0.313 281 F C 0.947 176.759 175.800 0.020 0.000 1.153 281 F CA 0.318 58.329 58.000 0.020 0.000 0.931 281 F CB 0.814 39.831 39.000 0.028 0.000 1.335 281 F HN 2.526 nan 8.300 nan 0.000 0.460 282 G N 1.335 110.051 108.800 -0.141 0.000 2.550 282 G HA2 -0.283 3.677 3.960 0.000 0.000 0.277 282 G HA3 -0.283 3.677 3.960 0.000 0.000 0.277 282 G C 0.304 175.091 174.900 -0.188 0.000 1.190 282 G CA 0.620 45.580 45.100 -0.234 0.000 0.971 282 G HN 0.898 nan 8.290 nan 0.000 0.559 283 D N 1.069 121.349 120.400 -0.201 0.000 2.077 283 D HA -0.109 4.531 4.640 0.000 0.000 0.196 283 D C 2.528 178.747 176.300 -0.134 0.000 0.986 283 D CA 1.763 55.684 54.000 -0.132 0.000 0.829 283 D CB -0.389 40.347 40.800 -0.107 0.000 0.983 283 D HN 0.734 nan 8.370 nan 0.000 0.453 284 R N 1.498 121.894 120.500 -0.174 0.000 2.185 284 R HA -0.162 4.178 4.340 0.000 0.000 0.247 284 R C 2.219 178.449 176.300 -0.116 0.000 1.159 284 R CA 1.326 57.341 56.100 -0.142 0.000 0.988 284 R CB -0.531 29.672 30.300 -0.161 0.000 0.871 284 R HN 0.119 nan 8.270 nan 0.000 0.458 285 R N 1.607 122.036 120.500 -0.118 0.000 2.094 285 R HA -0.168 4.172 4.340 0.000 0.000 0.239 285 R C 1.732 177.988 176.300 -0.073 0.000 1.137 285 R CA 2.256 58.313 56.100 -0.072 0.000 0.943 285 R CB -0.130 30.149 30.300 -0.035 0.000 0.850 285 R HN 0.339 nan 8.270 nan 0.000 0.433 286 K N -0.008 120.352 120.400 -0.067 0.000 2.057 286 K HA -0.103 4.217 4.320 0.000 0.000 0.207 286 K C 2.192 178.754 176.600 -0.064 0.000 1.049 286 K CA 1.472 57.724 56.287 -0.058 0.000 0.931 286 K CB -0.220 32.251 32.500 -0.048 0.000 0.714 286 K HN 0.274 nan 8.250 nan 0.000 0.440 287 A N 1.380 124.159 122.820 -0.069 0.000 1.902 287 A HA -0.162 4.158 4.320 0.000 0.000 0.217 287 A C 2.155 179.694 177.584 -0.075 0.000 1.181 287 A CA 1.584 53.581 52.037 -0.066 0.000 0.623 287 A CB -0.469 18.490 19.000 -0.068 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 -0.090 0.000 2.200 288 M HA 0.012 4.492 4.480 0.000 0.000 0.265 288 M C 2.189 178.405 176.300 -0.140 0.000 1.066 288 M CA 1.084 56.316 55.300 -0.112 0.000 1.127 288 M CB -0.338 32.188 32.600 -0.123 0.000 1.379 288 M HN 0.435 nan 8.290 nan 0.000 0.420 289 L N 0.285 121.429 121.223 -0.130 0.000 2.187 289 L HA -0.256 4.085 4.340 0.000 0.000 0.213 289 L C 2.524 179.336 176.870 -0.098 0.000 1.100 289 L CA 1.319 56.080 54.840 -0.132 0.000 0.765 289 L CB -0.177 41.825 42.059 -0.094 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 -0.077 0.000 2.137 290 Q HA -0.187 4.153 4.340 0.000 0.000 0.198 290 Q C 1.705 177.672 176.000 -0.055 0.000 0.960 290 Q CA 1.635 57.404 55.803 -0.056 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 -0.066 0.000 2.149 291 D HA -0.161 4.479 4.640 0.000 0.000 0.198 291 D C 1.799 178.068 176.300 -0.053 0.000 0.990 291 D CA 1.315 55.282 54.000 -0.056 0.000 0.839 291 D CB -0.023 40.740 40.800 -0.062 0.000 0.948 291 D HN 0.393 nan 8.370 nan 0.000 0.460 292 I N 1.205 121.727 120.570 -0.080 0.000 2.252 292 I HA -0.213 3.957 4.170 0.000 0.000 0.245 292 I C 2.613 178.711 176.117 -0.031 0.000 1.102 292 I CA 0.738 61.998 61.300 -0.066 0.000 1.385 292 I CB -0.247 37.678 38.000 -0.125 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 -0.035 0.000 1.858 293 A HA -0.215 4.105 4.320 0.000 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 -0.016 0.000 0.617 293 A CB -1.211 17.777 19.000 -0.020 0.000 0.827 293 A HN 0.367 nan 8.150 nan 0.000 0.443 294 T N 0.309 114.855 114.554 -0.014 0.000 2.803 294 T HA -0.119 4.231 4.350 0.000 0.000 0.269 294 T C 1.769 176.468 174.700 -0.002 0.000 1.052 294 T CA 1.307 63.401 62.100 -0.009 0.000 1.136 294 T CB -0.230 68.630 68.868 -0.014 0.000 0.864 294 T HN 0.288 nan 8.240 nan 0.000 0.467 295 L N 1.750 122.972 121.223 -0.002 0.000 2.095 295 L HA 0.010 4.350 4.340 0.000 0.000 0.204 295 L C 2.400 179.278 176.870 0.014 0.000 1.080 295 L CA 2.117 56.961 54.840 0.006 0.000 0.759 295 L CB -1.281 40.784 42.059 0.009 0.000 0.914 295 L HN 0.413 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 4.570 4.350 0.000 0.000 0.249 296 T C 1.290 176.010 174.700 0.033 0.000 1.096 296 T CA 0.415 62.531 62.100 0.028 0.000 1.012 296 T CB -0.106 68.784 68.868 0.038 0.000 0.977 296 T HN 0.530 nan 8.240 nan 0.000 0.527 297 G N 0.588 109.402 108.800 0.024 0.000 2.221 297 G HA2 -0.014 3.946 3.960 0.000 0.000 0.265 297 G HA3 -0.014 3.946 3.960 0.000 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 0.027 0.000 2.642 298 G HA2 0.764 4.725 3.960 0.000 0.000 0.291 298 G HA3 0.764 4.725 3.960 0.000 0.000 0.291 298 G C -0.412 174.493 174.900 0.009 0.000 1.345 298 G CA 0.217 45.332 45.100 0.026 0.000 1.043 298 G HN 0.699 nan 8.290 nan 0.000 0.528 299 T N 0.105 114.661 114.554 0.003 0.000 2.881 299 T HA 0.393 4.743 4.350 0.000 0.000 0.291 299 T C -0.149 174.546 174.700 -0.009 0.000 0.990 299 T CA -0.290 61.806 62.100 -0.005 0.000 0.976 299 T CB 1.657 70.521 68.868 -0.007 0.000 0.970 299 T HN 0.361 nan 8.240 nan 0.000 0.438 300 V N 4.657 124.562 119.914 -0.014 0.000 2.585 300 V HA 0.190 4.310 4.120 0.000 0.000 0.296 300 V C 0.455 176.540 176.094 -0.014 0.000 1.035 300 V CA -0.015 62.275 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 5.439 126.002 120.570 -0.012 0.000 2.316 301 I HA 0.227 4.397 4.170 0.000 0.000 0.286 301 I C 0.467 176.579 176.117 -0.008 0.000 1.107 301 I CA 0.108 61.403 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 2.590 118.285 115.700 -0.009 0.000 2.525 302 S HA 0.372 4.842 4.470 0.000 0.000 0.290 302 S C 0.643 175.240 174.600 -0.006 0.000 1.152 302 S CA -0.811 57.384 58.200 -0.008 0.000 1.072 302 S CB 2.007 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 1.237 121.435 120.200 -0.003 0.000 2.347 303 E HA -0.111 4.239 4.350 0.000 0.000 0.196 303 E C 1.302 177.901 176.600 -0.003 0.000 1.008 303 E CA 0.694 57.093 56.400 -0.002 0.000 0.852 303 E CB -0.055 29.645 29.700 0.001 0.000 0.783 303 E HN 0.788 nan 8.360 nan 0.000 0.505 304 E N 0.581 120.779 120.200 -0.004 0.000 2.160 304 E HA -0.150 4.200 4.350 0.000 0.000 0.195 304 E C 1.364 177.961 176.600 -0.006 0.000 0.991 304 E CA 0.793 57.190 56.400 -0.005 0.000 0.810 304 E CB 0.013 29.709 29.700 -0.008 0.000 0.742 304 E HN 0.334 nan 8.360 nan 0.000 0.466 305 I N 0.181 120.746 120.570 -0.007 0.000 3.884 305 I HA 0.155 4.325 4.170 0.000 0.000 0.330 305 I C 0.742 176.856 176.117 -0.006 0.000 1.451 305 I CA -0.168 61.128 61.300 -0.007 0.000 1.165 305 I CB 0.136 38.131 38.000 -0.009 0.000 1.097 305 I HN 0.062 nan 8.210 nan 0.000 0.404 306 G N 2.174 110.971 108.800 -0.005 0.000 2.338 306 G HA2 -0.286 3.674 3.960 0.000 0.000 0.296 306 G HA3 -0.286 3.674 3.960 0.000 0.000 0.296 306 G C 0.032 174.929 174.900 -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 4.984 4.480 0.000 0.000 0.343 307 M C 0.248 176.544 176.300 -0.006 0.000 1.165 307 M CA -0.350 54.946 55.300 -0.007 0.000 1.046 307 M CB 1.665 34.260 32.600 -0.008 0.000 1.648 307 M HN 0.242 nan 8.290 nan 0.000 0.452 308 E N 1.829 122.025 120.200 -0.007 0.000 2.227 308 E HA 0.325 4.675 4.350 0.000 0.000 0.268 308 E C 0.204 176.799 176.600 -0.008 0.000 0.907 308 E CA -0.524 55.872 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 1.545 122.765 121.223 -0.006 0.000 2.201 309 L HA -0.166 4.174 4.340 0.000 0.000 0.212 309 L C 1.637 178.500 176.870 -0.011 0.000 1.105 309 L CA 1.064 55.899 54.840 -0.007 0.000 0.775 309 L CB -0.238 41.820 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 0.000 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 -0.011 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 0.524 120.915 120.400 -0.015 0.000 3.165 311 K HA 0.436 4.756 4.320 0.000 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 33.257 32.500 -0.014 0.000 1.546 311 K HN -0.023 nan 8.250 nan 0.000 0.384 312 A N 1.205 124.007 122.820 -0.029 0.000 2.335 312 A HA 0.408 4.728 4.320 0.000 0.000 0.304 312 A C 0.028 177.578 177.584 -0.056 0.000 1.118 312 A CA -0.692 51.322 52.037 -0.038 0.000 0.757 312 A CB 0.789 19.769 19.000 -0.034 0.000 1.188 312 A HN 0.301 nan 8.150 nan 0.000 0.460 313 T N -0.020 114.495 114.554 -0.065 0.000 2.936 313 T HA 0.522 4.872 4.350 0.000 0.000 0.282 313 T C 1.058 175.674 174.700 -0.139 0.000 1.003 313 T CA -0.762 61.283 62.100 -0.090 0.000 1.005 313 T CB 0.587 69.413 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 4.298 4.340 0.000 0.000 0.230 314 L C 2.667 179.406 176.870 -0.219 0.000 1.163 314 L CA 1.295 55.917 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 0.067 120.200 120.200 -0.112 0.000 2.230 315 E HA -0.155 4.195 4.350 0.000 0.000 0.192 315 E C 1.324 177.906 176.600 -0.030 0.000 0.987 315 E CA 0.577 56.948 56.400 -0.048 0.000 0.841 315 E CB 0.305 29.985 29.700 -0.032 0.000 0.783 315 E HN 0.471 nan 8.360 nan 0.000 0.481 316 D N 0.283 120.655 120.400 -0.046 0.000 2.194 316 D HA -0.053 4.587 4.640 0.000 0.000 0.204 316 D C 0.314 176.606 176.300 -0.012 0.000 0.964 316 D CA 0.289 54.273 54.000 -0.026 0.000 0.846 316 D CB 0.138 40.919 40.800 -0.032 0.000 0.962 316 D HN 0.130 nan 8.370 nan 0.000 0.490 317 L N 1.177 122.382 121.223 -0.029 0.000 2.485 317 L HA 0.199 4.539 4.340 0.000 0.000 0.275 317 L C 1.465 178.396 176.870 0.101 0.000 1.207 317 L CA 0.332 55.185 54.840 0.023 0.000 0.855 317 L CB 0.413 42.454 42.059 -0.030 0.000 1.114 317 L HN -0.143 nan 8.230 nan 0.000 0.485 318 G N 1.482 110.351 108.800 0.113 0.000 2.543 318 G HA2 0.541 4.501 3.960 0.000 0.000 0.290 318 G HA3 0.541 4.501 3.960 0.000 0.000 0.290 318 G C -1.007 173.990 174.900 0.163 0.000 1.310 318 G CA -0.237 44.928 45.100 0.109 0.000 1.025 318 G HN 0.585 nan 8.290 nan 0.000 0.502 319 Q N -1.982 117.875 119.800 0.095 0.000 2.479 319 Q HA 0.547 4.887 4.340 0.000 0.000 0.276 319 Q C -1.513 174.489 176.000 0.002 0.000 0.989 319 Q CA -0.744 55.083 55.803 0.041 0.000 0.864 319 Q CB 2.031 30.788 28.738 0.031 0.000 1.444 319 Q HN 1.049 nan 8.270 nan 0.000 0.388 320 A N 2.139 124.940 122.820 -0.031 0.000 2.572 320 A HA 0.440 4.760 4.320 0.000 0.000 0.295 320 A C -0.470 177.086 177.584 -0.047 0.000 1.072 320 A CA -0.609 51.414 52.037 -0.023 0.000 0.691 320 A CB 1.657 20.658 19.000 0.001 0.000 1.291 320 A HN 0.825 nan 8.150 nan 0.000 0.404 321 K N -0.381 119.998 120.400 -0.035 0.000 2.147 321 K HA -0.066 4.254 4.320 0.000 0.000 0.205 321 K C 0.773 177.350 176.600 -0.037 0.000 1.049 321 K CA 1.512 57.775 56.287 -0.041 0.000 0.936 321 K CB 0.095 32.579 32.500 -0.027 0.000 0.722 321 K HN 0.569 nan 8.250 nan 0.000 0.446 322 R N -0.288 120.197 120.500 -0.025 0.000 2.634 322 R HA 0.202 4.542 4.340 0.000 0.000 0.263 322 R C -2.048 174.246 176.300 -0.010 0.000 1.060 322 R CA -0.611 55.477 56.100 -0.019 0.000 0.898 322 R CB 1.806 32.097 30.300 -0.015 0.000 1.253 322 R HN -0.059 nan 8.270 nan 0.000 0.461 323 V N 0.303 120.212 119.914 -0.009 0.000 2.760 323 V HA 0.827 4.947 4.120 0.000 0.000 0.309 323 V C -1.287 174.801 176.094 -0.009 0.000 1.077 323 V CA -0.697 61.600 62.300 -0.005 0.000 0.910 323 V CB 2.030 33.855 31.823 0.003 0.000 1.008 323 V HN 0.440 nan 8.190 nan 0.000 0.424 324 V N 5.643 125.545 119.914 -0.020 0.000 2.656 324 V HA 0.661 4.781 4.120 0.000 0.000 0.307 324 V C -0.276 175.795 176.094 -0.038 0.000 1.051 324 V CA -0.431 61.861 62.300 -0.014 0.000 0.893 324 V CB 1.770 33.587 31.823 -0.010 0.000 0.999 324 V HN 1.064 nan 8.190 nan 0.000 0.426 325 I N 0.979 121.549 120.570 0.000 0.000 2.499 325 I HA 0.676 4.846 4.170 0.000 0.000 0.288 325 I C -0.423 175.737 176.117 0.072 0.000 1.048 325 I CA -0.543 60.748 61.300 -0.014 0.000 1.062 325 I CB 1.986 39.985 38.000 -0.001 0.000 1.238 325 I HN 0.426 nan 8.210 nan 0.000 0.426 326 N N 4.827 123.503 118.700 -0.041 0.000 2.531 326 N HA 0.204 4.944 4.740 0.000 0.000 0.301 326 N C 0.719 176.002 175.510 -0.377 0.000 1.310 326 N CA -0.600 52.431 53.050 -0.032 0.000 0.949 326 N CB 0.637 39.089 38.487 -0.058 0.000 1.111 326 N HN 0.685 nan 8.380 nan 0.000 0.565 327 K N 0.121 120.306 120.400 -0.359 0.000 2.211 327 K HA -0.132 4.188 4.320 0.000 0.000 0.203 327 K C -0.566 175.711 176.600 -0.539 0.000 1.050 327 K CA 1.610 57.499 56.287 -0.662 0.000 0.945 327 K CB 0.001 32.396 32.500 -0.176 0.000 0.732 327 K HN 0.599 nan 8.250 nan 0.000 0.451 328 D N -1.069 119.139 120.400 -0.320 0.000 2.996 328 D HA 0.123 4.763 4.640 0.000 0.000 0.343 328 D C -1.066 175.123 176.300 -0.185 0.000 1.574 328 D CA -0.498 53.368 54.000 -0.223 0.000 0.773 328 D CB 0.846 41.565 40.800 -0.136 0.000 1.241 328 D HN -0.167 nan 8.370 nan 0.000 0.469 329 T N -0.288 114.129 114.554 -0.228 0.000 3.193 329 T HA 0.526 4.876 4.350 0.000 0.000 0.332 329 T C -1.164 173.343 174.700 -0.321 0.000 1.208 329 T CA -0.458 61.496 62.100 -0.244 0.000 1.080 329 T CB 2.085 70.857 68.868 -0.160 0.000 1.180 329 T HN -0.071 nan 8.240 nan 0.000 0.469 330 T N 2.296 116.516 114.554 -0.556 0.000 2.812 330 T HA 0.656 5.006 4.350 0.000 0.000 0.282 330 T C -0.534 173.851 174.700 -0.525 0.000 0.990 330 T CA -0.481 61.247 62.100 -0.621 0.000 0.960 330 T CB 1.626 69.870 68.868 -1.039 0.000 0.948 330 T HN 0.573 nan 8.240 nan 0.000 0.438 331 T N 3.935 118.349 114.554 -0.233 0.000 2.840 331 T HA 0.624 4.974 4.350 0.000 0.000 0.287 331 T C -0.639 174.046 174.700 -0.024 0.000 0.991 331 T CA -0.631 61.408 62.100 -0.101 0.000 0.964 331 T CB 0.140 68.967 68.868 -0.068 0.000 0.954 331 T HN 0.473 nan 8.240 nan 0.000 0.438 332 I N 6.580 127.175 120.570 0.040 0.000 2.312 332 I HA 0.419 4.589 4.170 0.000 0.000 0.290 332 I C -0.161 175.977 176.117 0.034 0.000 1.008 332 I CA -0.703 60.629 61.300 0.055 0.000 1.226 332 I CB 1.179 39.242 38.000 0.105 0.000 1.371 332 I HN 0.536 nan 8.210 nan 0.000 0.468 333 I N 5.798 126.377 120.570 0.016 0.000 2.321 333 I HA 0.222 4.392 4.170 0.000 0.000 0.291 333 I C -0.332 175.788 176.117 0.005 0.000 0.998 333 I CA -0.397 60.908 61.300 0.009 0.000 1.227 333 I CB 1.005 39.005 38.000 0.001 0.000 1.368 333 I HN 0.607 nan 8.210 nan 0.000 0.466 334 D N 4.834 125.238 120.400 0.007 0.000 3.908 334 D HA -0.109 4.531 4.640 0.000 0.000 0.237 334 D C 0.025 176.327 176.300 0.003 0.000 1.091 334 D CA 0.943 54.945 54.000 0.003 0.000 1.147 334 D CB -0.113 40.686 40.800 -0.003 0.000 0.857 334 D HN 0.825 nan 8.370 nan 0.000 0.410 335 G N 1.218 110.024 108.800 0.009 0.000 2.425 335 G HA2 0.445 4.405 3.960 0.000 0.000 0.302 335 G HA3 0.445 4.405 3.960 0.000 0.000 0.302 335 G C 1.334 176.239 174.900 0.009 0.000 1.159 335 G CA -0.409 44.698 45.100 0.012 0.000 0.865 335 G HN 0.393 nan 8.290 nan 0.000 0.515 336 V N 1.966 121.886 119.914 0.011 0.000 2.626 336 V HA -0.007 4.113 4.120 0.000 0.000 0.252 336 V C 2.268 178.371 176.094 0.015 0.000 1.067 336 V CA 1.167 63.475 62.300 0.013 0.000 1.081 336 V CB -1.263 30.573 31.823 0.022 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 0.016 0.000 2.341 337 G HA2 -0.063 3.897 3.960 0.000 0.000 0.231 337 G HA3 -0.063 3.897 3.960 0.000 0.000 0.231 337 G C -0.120 174.785 174.900 0.009 0.000 1.206 337 G CA -0.105 45.003 45.100 0.012 0.000 0.865 337 G HN 0.575 nan 8.290 nan 0.000 0.515 338 E N 1.571 121.775 120.200 0.007 0.000 2.259 338 E HA 0.089 4.439 4.350 0.000 0.000 0.281 338 E C 0.904 177.506 176.600 0.003 0.000 1.027 338 E CA -0.308 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 1.911 122.113 120.200 0.002 0.000 2.233 339 E HA -0.307 4.043 4.350 0.000 0.000 0.199 339 E C 1.698 178.298 176.600 -0.000 0.000 1.004 339 E CA 1.181 57.582 56.400 0.001 0.000 0.819 339 E CB -0.092 29.609 29.700 0.001 0.000 0.738 339 E HN 0.594 nan 8.360 nan 0.000 0.478 340 A N 1.666 124.486 122.820 0.000 0.000 1.845 340 A HA -0.095 4.225 4.320 0.000 0.000 0.215 340 A C 2.448 180.031 177.584 -0.002 0.000 1.195 340 A CA 1.719 53.755 52.037 -0.001 0.000 0.616 340 A CB -0.790 18.209 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 -0.001 0.000 1.858 341 A HA -0.096 4.224 4.320 0.000 0.000 0.216 341 A C 2.164 179.745 177.584 -0.004 0.000 1.190 341 A CA 1.611 53.646 52.037 -0.003 0.000 0.617 341 A CB -0.731 18.268 19.000 -0.002 0.000 0.827 341 A HN 0.506 nan 8.150 nan 0.000 0.443 342 I N -0.895 119.673 120.570 -0.003 0.000 2.099 342 I HA -0.310 3.860 4.170 0.000 0.000 0.239 342 I C 2.788 178.902 176.117 -0.005 0.000 1.066 342 I CA 2.005 63.303 61.300 -0.004 0.000 1.324 342 I CB -0.449 37.550 38.000 -0.001 0.000 1.037 342 I HN 0.389 nan 8.210 nan 0.000 0.401 343 Q N 1.345 121.143 119.800 -0.004 0.000 2.234 343 Q HA -0.135 4.205 4.340 0.000 0.000 0.206 343 Q C 1.961 177.957 176.000 -0.006 0.000 0.980 343 Q CA 1.972 57.772 55.803 -0.005 0.000 0.869 343 Q CB -0.634 28.102 28.738 -0.003 0.000 0.912 343 Q HN 0.519 nan 8.270 nan 0.000 0.436 344 G N -0.237 108.559 108.800 -0.006 0.000 2.394 344 G HA2 -0.268 3.692 3.960 0.000 0.000 0.215 344 G HA3 -0.268 3.692 3.960 0.000 0.000 0.215 344 G C 1.546 176.440 174.900 -0.010 0.000 1.165 344 G CA 0.649 45.744 45.100 -0.007 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 4.307 4.340 0.000 0.000 0.239 345 R C 2.519 178.810 176.300 -0.015 0.000 1.135 345 R CA 1.547 57.638 56.100 -0.014 0.000 0.967 345 R CB -0.872 29.419 30.300 -0.015 0.000 0.861 345 R HN 0.218 nan 8.270 nan 0.000 0.442 346 V N 0.775 120.681 119.914 -0.013 0.000 2.295 346 V HA -0.235 3.885 4.120 0.000 0.000 0.246 346 V C 2.394 178.480 176.094 -0.013 0.000 1.049 346 V CA 1.995 64.287 62.300 -0.013 0.000 1.024 346 V CB -1.090 30.727 31.823 -0.010 0.000 0.648 346 V HN 0.554 nan 8.190 nan 0.000 0.447 347 A N -0.726 122.088 122.820 -0.011 0.000 1.908 347 A HA -0.313 4.007 4.320 0.000 0.000 0.218 347 A C 2.177 179.754 177.584 -0.012 0.000 1.181 347 A CA 2.160 54.191 52.037 -0.011 0.000 0.627 347 A CB -0.505 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 -0.427 119.364 119.800 -0.014 0.000 1.975 348 Q HA -0.159 4.181 4.340 0.000 0.000 0.205 348 Q C 2.073 178.062 176.000 -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 28.299 28.738 -0.017 0.000 0.913 348 Q HN 0.739 nan 8.270 nan 0.000 0.420 349 I N 0.375 120.932 120.570 -0.021 0.000 2.423 349 I HA -0.275 3.895 4.170 0.000 0.000 0.254 349 I C 2.522 178.625 176.117 -0.023 0.000 1.151 349 I CA 0.981 62.266 61.300 -0.026 0.000 1.421 349 I CB -0.293 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 0.831 121.320 120.500 -0.018 0.000 2.115 350 R HA -0.149 4.191 4.340 0.000 0.000 0.230 350 R C 2.265 178.556 176.300 -0.015 0.000 1.111 350 R CA 1.255 57.345 56.100 -0.016 0.000 0.976 350 R CB 0.003 30.295 30.300 -0.013 0.000 0.870 350 R HN 0.422 nan 8.270 nan 0.000 0.445 351 Q N -0.659 119.132 119.800 -0.014 0.000 2.187 351 Q HA -0.095 4.245 4.340 0.000 0.000 0.199 351 Q C 1.960 177.951 176.000 -0.015 0.000 0.957 351 Q CA 0.736 56.532 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 0.392 nan 8.270 nan 0.000 0.453 352 Q N 0.581 120.370 119.800 -0.018 0.000 2.112 352 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 352 Q C 2.083 178.070 176.000 -0.021 0.000 0.987 352 Q CA 1.256 57.046 55.803 -0.022 0.000 0.858 352 Q CB -0.299 28.422 28.738 -0.028 0.000 0.905 352 Q HN 0.495 nan 8.270 nan 0.000 0.420 353 I N 1.034 121.591 120.570 -0.022 0.000 2.394 353 I HA -0.225 3.945 4.170 0.000 0.000 0.251 353 I C 2.162 178.271 176.117 -0.013 0.000 1.136 353 I CA 0.852 62.140 61.300 -0.020 0.000 1.425 353 I CB -0.277 37.711 38.000 -0.020 0.000 1.079 353 I HN 0.136 nan 8.210 nan 0.000 0.425 354 E N 1.287 121.480 120.200 -0.012 0.000 2.047 354 E HA -0.194 4.156 4.350 0.000 0.000 0.191 354 E C 1.731 178.327 176.600 -0.007 0.000 0.987 354 E CA 1.214 57.609 56.400 -0.008 0.000 0.799 354 E CB -0.341 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 1.004 121.199 120.200 -0.008 0.000 2.511 355 E HA 0.148 4.498 4.350 0.000 0.000 0.196 355 E C 0.245 176.842 176.600 -0.005 0.000 1.066 355 E CA -0.051 56.345 56.400 -0.006 0.000 0.871 355 E CB 0.145 29.840 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 -0.006 0.000 2.522 356 A HA 0.066 4.386 4.320 0.000 0.000 0.256 356 A C 1.252 178.838 177.584 0.004 0.000 1.086 356 A CA 0.151 52.185 52.037 -0.004 0.000 0.763 356 A CB -0.056 18.939 19.000 -0.009 0.000 1.024 356 A HN 0.232 nan 8.150 nan 0.000 0.502 357 T N -0.610 113.949 114.554 0.009 0.000 3.069 357 T HA 0.348 4.698 4.350 0.000 0.000 0.252 357 T C 0.528 175.241 174.700 0.023 0.000 1.053 357 T CA 0.477 62.585 62.100 0.013 0.000 0.964 357 T CB -0.099 68.776 68.868 0.012 0.000 1.005 357 T HN 0.767 nan 8.240 nan 0.000 0.532 358 S N -0.232 115.487 115.700 0.032 0.000 2.541 358 S HA 0.367 4.837 4.470 0.000 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 0.054 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 2.141 122.582 120.400 0.070 0.000 2.117 359 D HA -0.121 4.520 4.640 0.000 0.000 0.197 359 D C 1.327 177.681 176.300 0.090 0.000 0.987 359 D CA 1.480 55.520 54.000 0.066 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 0.004 0.000 2.081 360 Y HA -0.248 4.302 4.550 0.000 0.000 0.280 360 Y C 1.627 177.527 175.900 0.000 0.000 1.163 360 Y CA 1.998 60.102 58.100 0.006 0.000 1.135 360 Y CB -0.451 38.014 38.460 0.009 0.000 0.970 360 Y HN -0.111 nan 8.280 nan 0.000 0.498 361 D N -0.750 119.643 120.400 -0.012 0.000 2.178 361 D HA -0.144 4.497 4.640 0.000 0.000 0.201 361 D C 2.252 178.485 176.300 -0.111 0.000 0.980 361 D CA 1.349 55.288 54.000 -0.102 0.000 0.842 361 D CB -0.252 40.545 40.800 -0.005 0.000 0.948 361 D HN 0.296 nan 8.370 nan 0.000 0.472 362 R N 0.561 121.026 120.500 -0.059 0.000 2.066 362 R HA -0.116 4.224 4.340 0.000 0.000 0.232 362 R C 1.741 177.998 176.300 -0.071 0.000 1.131 362 R CA 1.043 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 0.898 121.045 120.200 -0.088 0.000 2.031 363 E HA -0.196 4.154 4.350 0.000 0.000 0.193 363 E C 1.887 178.406 176.600 -0.135 0.000 0.994 363 E CA 1.058 57.403 56.400 -0.092 0.000 0.800 363 E CB -0.169 29.483 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 -0.243 0.000 2.103 364 K HA -0.084 4.236 4.320 0.000 0.000 0.207 364 K C 2.419 178.934 176.600 -0.140 0.000 1.048 364 K CA 0.702 56.848 56.287 -0.235 0.000 0.930 364 K CB -0.573 31.705 32.500 -0.371 0.000 0.716 364 K HN 0.199 nan 8.250 nan 0.000 0.444 365 L N 0.922 122.073 121.223 -0.120 0.000 2.027 365 L HA -0.186 4.154 4.340 0.000 0.000 0.206 365 L C 2.578 179.412 176.870 -0.059 0.000 1.074 365 L CA 1.188 55.980 54.840 -0.080 0.000 0.745 365 L CB -0.441 41.579 42.059 -0.066 0.000 0.898 365 L HN 0.227 nan 8.230 nan 0.000 0.433 366 Q N -0.106 119.661 119.800 -0.054 0.000 2.181 366 Q HA -0.239 4.101 4.340 0.000 0.000 0.205 366 Q C 2.023 178.003 176.000 -0.033 0.000 0.980 366 Q CA 1.426 57.206 55.803 -0.037 0.000 0.862 366 Q CB -0.140 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 0.530 120.705 120.200 -0.042 0.000 2.077 367 E HA -0.164 4.186 4.350 0.000 0.000 0.193 367 E C 2.080 178.666 176.600 -0.024 0.000 0.989 367 E CA 0.721 57.102 56.400 -0.030 0.000 0.800 367 E CB 0.023 29.701 29.700 -0.038 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 -0.035 0.000 2.066 368 R HA -0.109 4.232 4.340 0.000 0.000 0.232 368 R C 2.734 179.021 176.300 -0.023 0.000 1.131 368 R CA 1.516 57.597 56.100 -0.032 0.000 0.955 368 R CB -0.601 29.672 30.300 -0.045 0.000 0.851 368 R HN 0.198 nan 8.270 nan 0.000 0.432 369 V N -1.172 118.728 119.914 -0.024 0.000 2.343 369 V HA -0.137 3.983 4.120 0.000 0.000 0.247 369 V C 2.355 178.443 176.094 -0.011 0.000 1.051 369 V CA 1.808 64.098 62.300 -0.017 0.000 1.036 369 V CB -1.087 30.725 31.823 -0.018 0.000 0.654 369 V HN 0.244 nan 8.190 nan 0.000 0.451 370 A N 0.473 123.287 122.820 -0.010 0.000 1.902 370 A HA -0.190 4.130 4.320 0.000 0.000 0.217 370 A C 2.366 179.951 177.584 0.002 0.000 1.181 370 A CA 2.251 54.286 52.037 -0.004 0.000 0.623 370 A CB -0.603 18.394 19.000 -0.004 0.000 0.818 370 A HN 0.612 nan 8.150 nan 0.000 0.443 371 K N -1.213 119.190 120.400 0.005 0.000 2.025 371 K HA -0.060 4.260 4.320 0.000 0.000 0.207 371 K C 1.866 178.474 176.600 0.014 0.000 1.049 371 K CA 1.332 57.629 56.287 0.016 0.000 0.933 371 K CB -0.268 32.247 32.500 0.025 0.000 0.714 371 K HN 0.358 nan 8.250 nan 0.000 0.438 372 L N 0.127 121.352 121.223 0.004 0.000 2.179 372 L HA 0.008 4.348 4.340 0.000 0.000 0.208 372 L C 1.799 178.669 176.870 0.001 0.000 1.096 372 L CA 1.379 56.220 54.840 0.001 0.000 0.779 372 L CB -0.136 41.918 42.059 -0.008 0.000 0.922 372 L HN 0.072 nan 8.230 nan 0.000 0.443 373 A N -1.774 121.046 122.820 -0.000 0.000 2.252 373 A HA 0.344 4.665 4.320 0.000 0.000 0.213 373 A C 2.112 179.697 177.584 0.001 0.000 1.188 373 A CA 0.520 52.557 52.037 -0.001 0.000 0.863 373 A CB -0.652 18.346 19.000 -0.004 0.000 0.893 373 A HN 0.404 nan 8.150 nan 0.000 0.495 374 G N -0.279 108.523 108.800 0.003 0.000 2.408 374 G HA2 0.374 4.334 3.960 0.000 0.000 0.215 374 G HA3 0.374 4.334 3.960 0.000 0.000 0.215 374 G C 1.151 176.054 174.900 0.005 0.000 1.156 374 G CA 0.713 45.815 45.100 0.004 0.000 0.793 374 G HN 1.629 nan 8.290 nan 0.000 0.535 375 G N -1.641 107.164 108.800 0.009 0.000 2.632 375 G HA2 0.029 3.989 3.960 0.000 0.000 0.224 375 G HA3 0.029 3.989 3.960 0.000 0.000 0.224 375 G C -0.723 174.183 174.900 0.010 0.000 1.341 375 G CA -0.224 44.882 45.100 0.009 0.000 0.880 375 G HN 1.105 nan 8.290 nan 0.000 0.566 376 V N 0.385 120.304 119.914 0.007 0.000 2.567 376 V HA 0.682 4.802 4.120 0.000 0.000 0.298 376 V C 0.628 176.724 176.094 0.003 0.000 1.047 376 V CA -0.049 62.254 62.300 0.006 0.000 0.880 376 V CB 1.197 33.025 31.823 0.007 0.000 1.009 376 V HN 2.171 nan 8.190 nan 0.000 0.429 377 A N 4.850 127.671 122.820 0.001 0.000 2.409 377 A HA 0.695 5.015 4.320 0.000 0.000 0.267 377 A C -0.332 177.252 177.584 -0.000 0.000 1.127 377 A CA -0.158 51.879 52.037 0.000 0.000 0.795 377 A CB 0.562 19.561 19.000 -0.001 0.000 1.061 377 A HN 0.771 nan 8.150 nan 0.000 0.502 378 V N 4.743 124.657 119.914 0.000 0.000 2.384 378 V HA 0.317 4.437 4.120 0.000 0.000 0.287 378 V C -0.106 175.988 176.094 0.000 0.000 1.020 378 V CA -0.203 62.096 62.300 -0.000 0.000 0.850 378 V CB 1.353 33.175 31.823 -0.001 0.000 0.987 378 V HN 0.741 nan 8.190 nan 0.000 0.436 379 I N 5.211 125.782 120.570 0.001 0.000 2.312 379 I HA 0.380 4.550 4.170 0.000 0.000 0.290 379 I C 0.114 176.232 176.117 0.001 0.000 1.008 379 I CA -0.431 60.870 61.300 0.001 0.000 1.226 379 I CB 1.090 39.092 38.000 0.003 0.000 1.371 379 I HN 0.505 nan 8.210 nan 0.000 0.468 380 K N 6.059 126.460 120.400 0.001 0.000 2.281 380 K HA 0.414 4.734 4.320 0.000 0.000 0.272 380 K C -0.613 175.987 176.600 0.001 0.000 1.048 380 K CA -0.636 55.652 56.287 0.000 0.000 0.898 380 K CB 1.775 34.275 32.500 -0.001 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 4.121 4.120 0.000 0.000 0.306 381 V C 1.452 177.546 176.094 0.000 0.000 1.059 381 V CA -0.054 62.247 62.300 0.001 0.000 1.138 381 V CB 0.710 32.534 31.823 0.002 0.000 0.940 381 V HN 0.950 nan 8.190 nan 0.000 0.489 382 G N 2.399 111.199 108.800 0.000 0.000 2.518 382 G HA2 0.434 4.394 3.960 0.000 0.000 0.284 382 G HA3 0.434 4.394 3.960 0.000 0.000 0.284 382 G C 0.346 175.246 174.900 -0.001 0.000 1.362 382 G CA 0.465 45.565 45.100 -0.000 0.000 1.065 382 G HN 1.218 nan 8.290 nan 0.000 0.561 383 A N -2.450 120.370 122.820 -0.001 0.000 2.363 383 A HA 0.838 5.158 4.320 0.000 0.000 0.180 383 A C 0.767 178.351 177.584 -0.001 0.000 1.219 383 A CA 1.011 53.047 52.037 -0.001 0.000 1.864 383 A CB -0.490 18.509 19.000 -0.001 0.000 2.313 383 A HN 2.605 nan 8.150 nan 0.000 0.894 384 A N -0.398 122.421 122.820 -0.001 0.000 2.611 384 A HA 0.508 4.828 4.320 0.000 0.000 0.281 384 A C 1.006 178.590 177.584 -0.001 0.000 1.396 384 A CA 1.300 53.336 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 3.432 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 -0.067 4.284 4.350 0.000 0.000 0.773 385 T C 0.257 174.956 174.700 -0.002 0.000 0.992 385 T CA 1.318 63.417 62.100 -0.002 0.000 4.074 385 T CB -1.121 67.746 68.868 -0.002 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 -0.002 0.000 2.160 386 E HA -0.139 4.212 4.350 0.000 0.000 0.195 386 E C 1.981 178.580 176.600 -0.002 0.000 0.991 386 E CA 2.089 58.488 56.400 -0.001 0.000 0.810 386 E CB -0.106 29.593 29.700 -0.001 0.000 0.742 386 E HN 0.658 nan 8.360 nan 0.000 0.466 387 V N 1.301 121.214 119.914 -0.002 0.000 2.244 387 V HA -0.255 3.865 4.120 0.000 0.000 0.244 387 V C 2.152 178.245 176.094 -0.002 0.000 1.042 387 V CA 2.254 64.553 62.300 -0.002 0.000 1.006 387 V CB -0.656 31.166 31.823 -0.002 0.000 0.641 387 V HN 0.287 nan 8.190 nan 0.000 0.446 388 E N -0.285 119.914 120.200 -0.002 0.000 2.118 388 E HA -0.255 4.095 4.350 0.000 0.000 0.195 388 E C 2.188 178.787 176.600 -0.002 0.000 0.992 388 E CA 1.451 57.850 56.400 -0.002 0.000 0.804 388 E CB -0.267 29.432 29.700 -0.002 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 4.321 4.480 0.000 0.000 0.262 389 M C 1.622 177.922 176.300 -0.001 0.000 1.065 389 M CA 1.538 56.838 55.300 -0.001 0.000 1.114 389 M CB -0.141 32.458 32.600 -0.001 0.000 1.361 389 M HN -0.120 nan 8.290 nan 0.000 0.408 390 K N 0.218 120.618 120.400 -0.001 0.000 2.211 390 K HA -0.142 4.178 4.320 0.000 0.000 0.203 390 K C 1.855 178.454 176.600 -0.001 0.000 1.050 390 K CA 1.142 57.429 56.287 -0.001 0.000 0.945 390 K CB -0.453 32.046 32.500 -0.001 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 -0.002 0.000 2.016 391 E HA -0.166 4.184 4.350 0.000 0.000 0.190 391 E C 2.045 178.644 176.600 -0.002 0.000 0.985 391 E CA 0.965 57.363 56.400 -0.002 0.000 0.802 391 E CB 0.075 29.773 29.700 -0.003 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 4.099 4.320 0.000 0.000 0.206 392 K C 2.234 178.835 176.600 0.001 0.000 1.048 392 K CA 1.531 57.818 56.287 -0.000 0.000 0.933 392 K CB -0.060 32.440 32.500 -0.000 0.000 0.721 392 K HN -0.038 nan 8.250 nan 0.000 0.447 393 K N 0.056 120.457 120.400 0.001 0.000 2.057 393 K HA -0.135 4.185 4.320 0.000 0.000 0.207 393 K C 1.943 178.545 176.600 0.004 0.000 1.049 393 K CA 1.206 57.494 56.287 0.003 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 1.534 124.354 122.820 0.001 0.000 1.877 394 A HA -0.167 4.153 4.320 0.000 0.000 0.216 394 A C 2.099 179.684 177.584 0.001 0.000 1.186 394 A CA 1.465 53.502 52.037 -0.000 0.000 0.620 394 A CB -0.497 18.500 19.000 -0.004 0.000 0.822 394 A HN 0.319 nan 8.150 nan 0.000 0.443 395 R N -0.682 119.819 120.500 0.001 0.000 2.083 395 R HA -0.106 4.234 4.340 0.000 0.000 0.237 395 R C 2.047 178.353 176.300 0.009 0.000 1.137 395 R CA 1.559 57.661 56.100 0.002 0.000 0.951 395 R CB -0.670 29.631 30.300 0.001 0.000 0.851 395 R HN 0.403 nan 8.270 nan 0.000 0.434 396 V N 1.343 121.263 119.914 0.009 0.000 2.407 396 V HA -0.239 3.881 4.120 0.000 0.000 0.248 396 V C 2.034 178.141 176.094 0.022 0.000 1.055 396 V CA 1.814 64.121 62.300 0.013 0.000 1.049 396 V CB -0.466 31.363 31.823 0.010 0.000 0.662 396 V HN 0.363 nan 8.190 nan 0.000 0.455 397 E N -0.111 120.103 120.200 0.022 0.000 2.051 397 E HA -0.223 4.127 4.350 0.000 0.000 0.192 397 E C 2.026 178.660 176.600 0.057 0.000 0.991 397 E CA 1.527 57.948 56.400 0.035 0.000 0.799 397 E CB -0.170 29.545 29.700 0.025 0.000 0.748 397 E HN 0.626 nan 8.360 nan 0.000 0.449 398 D N 0.353 120.774 120.400 0.034 0.000 2.097 398 D HA -0.113 4.527 4.640 0.000 0.000 0.197 398 D C 1.957 178.297 176.300 0.065 0.000 0.984 398 D CA 1.195 55.215 54.000 0.035 0.000 0.826 398 D CB -0.240 40.558 40.800 -0.003 0.000 0.973 398 D HN 0.133 nan 8.370 nan 0.000 0.460 399 A N 1.115 123.960 122.820 0.042 0.000 1.908 399 A HA -0.177 4.143 4.320 0.000 0.000 0.218 399 A C 2.180 179.793 177.584 0.048 0.000 1.181 399 A CA 1.112 53.172 52.037 0.038 0.000 0.627 399 A CB -0.707 18.306 19.000 0.022 0.000 0.818 399 A HN 0.225 nan 8.150 nan 0.000 0.445 400 L N -0.842 120.412 121.223 0.051 0.000 2.017 400 L HA -0.177 4.163 4.340 0.000 0.000 0.208 400 L C 2.408 179.308 176.870 0.050 0.000 1.073 400 L CA 2.669 57.532 54.840 0.039 0.000 0.745 400 L CB -0.900 41.178 42.059 0.033 0.000 0.894 400 L HN 0.621 nan 8.230 nan 0.000 0.432 401 H N -0.211 118.858 119.070 -0.002 0.000 2.352 401 H HA -0.153 4.403 4.556 0.000 0.000 0.299 401 H C 1.906 177.234 175.328 -0.000 0.000 1.097 401 H CA 1.863 57.910 56.048 -0.002 0.000 1.311 401 H CB 0.090 29.850 29.762 -0.003 0.000 1.377 401 H HN 0.478 nan 8.280 nan 0.000 0.504 402 A N -0.245 122.694 122.820 0.198 0.000 1.898 402 A HA -0.114 4.206 4.320 0.000 0.000 0.216 402 A C 2.676 180.290 177.584 0.049 0.000 1.181 402 A CA 1.889 54.005 52.037 0.131 0.000 0.620 402 A CB -0.902 18.152 19.000 0.090 0.000 0.819 402 A HN 0.512 nan 8.150 nan 0.000 0.442 403 T N -0.596 113.975 114.554 0.030 0.000 2.867 403 T HA -0.109 4.241 4.350 0.000 0.000 0.268 403 T C 2.135 176.827 174.700 -0.013 0.000 1.057 403 T CA 1.222 63.327 62.100 0.008 0.000 1.136 403 T CB -0.219 68.653 68.868 0.007 0.000 0.874 403 T HN 0.295 nan 8.240 nan 0.000 0.466 404 R N 1.504 121.981 120.500 -0.040 0.000 2.081 404 R HA 0.104 4.444 4.340 0.000 0.000 0.235 404 R C 2.566 178.826 176.300 -0.068 0.000 1.131 404 R CA 1.709 57.767 56.100 -0.071 0.000 0.960 404 R CB -1.031 29.189 30.300 -0.132 0.000 0.856 404 R HN 0.415 nan 8.270 nan 0.000 0.436 405 A N 0.517 123.294 122.820 -0.072 0.000 1.902 405 A HA -0.080 4.240 4.320 0.000 0.000 0.217 405 A C 2.378 179.957 177.584 -0.009 0.000 1.181 405 A CA 1.932 53.947 52.037 -0.037 0.000 0.623 405 A CB -0.751 18.251 19.000 0.003 0.000 0.818 405 A HN 0.423 nan 8.150 nan 0.000 0.443 406 A N -0.578 122.242 122.820 -0.000 0.000 1.908 406 A HA -0.037 4.283 4.320 0.000 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 0.005 0.000 0.627 406 A CB -0.935 18.070 19.000 0.008 0.000 0.818 406 A HN 0.413 nan 8.150 nan 0.000 0.445 407 V N 0.022 119.931 119.914 -0.008 0.000 2.407 407 V HA -0.257 3.863 4.120 0.000 0.000 0.248 407 V C 2.390 178.479 176.094 -0.008 0.000 1.055 407 V CA 2.241 64.536 62.300 -0.008 0.000 1.049 407 V CB -0.794 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 -0.075 120.117 120.200 -0.012 0.000 2.047 408 E HA -0.186 4.164 4.350 0.000 0.000 0.191 408 E C 1.673 178.271 176.600 -0.002 0.000 0.987 408 E CA 1.481 57.875 56.400 -0.009 0.000 0.799 408 E CB -0.005 29.687 29.700 -0.014 0.000 0.752 408 E HN 0.665 nan 8.360 nan 0.000 0.449 409 E N -0.877 119.323 120.200 0.000 0.000 2.676 409 E HA 0.230 4.580 4.350 0.000 0.000 0.222 409 E C 0.223 176.826 176.600 0.006 0.000 0.968 409 E CA 0.110 56.512 56.400 0.004 0.000 1.090 409 E CB 1.656 31.360 29.700 0.006 0.000 1.066 409 E HN 0.239 nan 8.360 nan 0.000 0.496 410 G N 1.199 110.002 108.800 0.006 0.000 2.660 410 G HA2 -0.199 3.761 3.960 0.000 0.000 0.215 410 G HA3 -0.199 3.761 3.960 0.000 0.000 0.215 410 G C -0.362 174.544 174.900 0.011 0.000 1.345 410 G CA -0.484 44.620 45.100 0.008 0.000 0.877 410 G HN 0.498 nan 8.290 nan 0.000 0.549 411 V N -2.782 117.139 119.914 0.012 0.000 3.040 411 V HA 0.984 5.104 4.120 0.000 0.000 0.312 411 V C 0.516 176.618 176.094 0.015 0.000 1.115 411 V CA 0.032 62.340 62.300 0.014 0.000 0.998 411 V CB 1.314 33.144 31.823 0.013 0.000 1.042 411 V HN 2.443 nan 8.190 nan 0.000 0.433 412 V N -0.926 118.998 119.914 0.016 0.000 3.130 412 V HA 1.010 5.130 4.120 0.000 0.000 0.310 412 V C 0.483 176.588 176.094 0.017 0.000 1.158 412 V CA -0.716 61.594 62.300 0.018 0.000 1.029 412 V CB 1.256 33.090 31.823 0.018 0.000 1.057 412 V HN 2.089 nan 8.190 nan 0.000 0.436 413 A N 1.016 123.848 122.820 0.020 0.000 2.546 413 A HA 0.601 4.921 4.320 0.000 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 -0.551 18.464 19.000 0.026 0.000 0.991 413 A HN 1.962 nan 8.150 nan 0.000 0.503 414 G N 0.650 109.454 108.800 0.006 0.000 2.531 414 G HA2 0.518 4.478 3.960 0.000 0.000 0.253 414 G HA3 0.518 4.478 3.960 0.000 0.000 0.253 414 G C 1.163 176.064 174.900 0.002 0.000 1.439 414 G CA -0.054 45.048 45.100 0.004 0.000 1.056 414 G HN 2.256 nan 8.290 nan 0.000 0.555 415 G N -1.997 106.803 108.800 -0.000 0.000 2.203 415 G HA2 0.198 4.158 3.960 0.000 0.000 0.263 415 G HA3 0.198 4.158 3.960 0.000 0.000 0.263 415 G C 1.533 176.445 174.900 0.020 0.000 1.012 415 G CA 1.263 46.367 45.100 0.006 0.000 0.749 415 G HN 2.466 nan 8.290 nan 0.000 0.512 416 G N -2.394 106.417 108.800 0.018 0.000 2.189 416 G HA2 -0.131 3.829 3.960 0.000 0.000 0.267 416 G HA3 -0.131 3.829 3.960 0.000 0.000 0.267 416 G C 1.904 176.820 174.900 0.027 0.000 0.975 416 G CA 1.931 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 -0.867 119.064 119.914 0.028 0.000 2.548 417 V HA 0.321 4.441 4.120 0.000 0.000 0.249 417 V C 2.810 178.926 176.094 0.037 0.000 1.055 417 V CA 2.201 64.523 62.300 0.037 0.000 1.065 417 V CB -0.614 31.233 31.823 0.039 0.000 0.681 417 V HN 1.446 nan 8.190 nan 0.000 0.462 418 A N 0.815 123.653 122.820 0.030 0.000 1.873 418 A HA -0.156 4.164 4.320 0.000 0.000 0.218 418 A C 2.235 179.835 177.584 0.027 0.000 1.193 418 A CA 2.444 54.498 52.037 0.029 0.000 0.629 418 A CB -0.861 18.153 19.000 0.023 0.000 0.826 418 A HN 0.620 nan 8.150 nan 0.000 0.447 419 L N -0.812 120.426 121.223 0.024 0.000 2.131 419 L HA -0.146 4.194 4.340 0.000 0.000 0.210 419 L C 2.460 179.345 176.870 0.024 0.000 1.092 419 L CA 0.941 55.794 54.840 0.022 0.000 0.759 419 L CB -0.401 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 -0.864 119.724 120.570 0.030 0.000 2.252 420 I HA -0.221 3.949 4.170 0.000 0.000 0.245 420 I C 2.675 178.814 176.117 0.036 0.000 1.102 420 I CA 0.729 62.049 61.300 0.034 0.000 1.385 420 I CB -0.173 37.853 38.000 0.042 0.000 1.064 420 I HN 0.247 nan 8.210 nan 0.000 0.414 421 R N 0.295 120.819 120.500 0.040 0.000 2.081 421 R HA -0.086 4.254 4.340 0.000 0.000 0.235 421 R C 2.238 178.555 176.300 0.029 0.000 1.131 421 R CA 1.037 57.161 56.100 0.039 0.000 0.960 421 R CB -1.081 29.245 30.300 0.043 0.000 0.856 421 R HN 0.245 nan 8.270 nan 0.000 0.436 422 V N 1.411 121.340 119.914 0.024 0.000 2.295 422 V HA -0.232 3.888 4.120 0.000 0.000 0.246 422 V C 2.563 178.667 176.094 0.016 0.000 1.049 422 V CA 1.899 64.210 62.300 0.018 0.000 1.024 422 V CB -0.935 30.897 31.823 0.015 0.000 0.648 422 V HN 0.321 nan 8.190 nan 0.000 0.447 423 A N 0.841 123.671 122.820 0.017 0.000 1.908 423 A HA -0.248 4.072 4.320 0.000 0.000 0.218 423 A C 2.554 180.147 177.584 0.015 0.000 1.181 423 A CA 2.551 54.597 52.037 0.015 0.000 0.627 423 A CB -0.863 18.147 19.000 0.016 0.000 0.818 423 A HN 0.710 nan 8.150 nan 0.000 0.445 424 S N -0.094 115.617 115.700 0.019 0.000 2.399 424 S HA -0.154 4.316 4.470 0.000 0.000 0.231 424 S C 1.727 176.336 174.600 0.015 0.000 1.022 424 S CA 1.441 59.652 58.200 0.018 0.000 0.983 424 S CB -0.384 62.831 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 0.015 0.000 2.365 425 K HA 0.194 4.514 4.320 0.000 0.000 0.199 425 K C 1.161 177.766 176.600 0.009 0.000 1.045 425 K CA 0.656 56.950 56.287 0.012 0.000 0.962 425 K CB -0.255 32.253 32.500 0.012 0.000 0.759 425 K HN 0.448 nan 8.250 nan 0.000 0.469 426 L N -0.079 121.150 121.223 0.009 0.000 2.700 426 L HA 0.197 4.537 4.340 0.000 0.000 0.234 426 L C 1.884 178.757 176.870 0.006 0.000 1.156 426 L CA -0.213 54.631 54.840 0.006 0.000 0.946 426 L CB -0.101 41.962 42.059 0.006 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 0.007 0.000 2.032 427 A HA -0.211 4.109 4.320 0.000 0.000 0.221 427 A C 1.605 179.191 177.584 0.004 0.000 1.165 427 A CA 1.783 53.823 52.037 0.006 0.000 0.645 427 A CB -0.216 18.788 19.000 0.006 0.000 0.807 427 A HN 0.379 nan 8.150 nan 0.000 0.453 428 D N -1.275 119.128 120.400 0.004 0.000 2.349 428 D HA 0.160 4.800 4.640 0.000 0.000 0.214 428 D C 0.200 176.502 176.300 0.002 0.000 1.063 428 D CA -0.267 53.735 54.000 0.003 0.000 0.847 428 D CB -0.012 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 0.003 0.000 2.490 429 L HA 0.089 4.429 4.340 0.000 0.000 0.274 429 L C 0.146 177.017 176.870 0.002 0.000 1.201 429 L CA 0.610 55.451 54.840 0.002 0.000 0.869 429 L CB 0.166 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 3.011 123.512 120.500 0.001 0.000 2.855 430 R HA 0.719 5.059 4.340 0.000 0.000 0.266 430 R C -0.262 176.039 176.300 0.001 0.000 1.034 430 R CA -0.335 55.765 56.100 0.001 0.000 0.944 430 R CB 1.464 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 -0.426 108.375 108.800 0.001 0.000 3.119 431 G HA2 0.217 4.177 3.960 0.000 0.000 0.206 431 G HA3 0.217 4.177 3.960 0.000 0.000 0.206 431 G C 0.017 174.917 174.900 0.001 0.000 1.313 431 G CA -0.258 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 -0.435 119.365 119.800 0.001 0.000 2.378 432 Q HA 0.107 4.447 4.340 0.000 0.000 0.205 432 Q C 0.105 176.106 176.000 0.001 0.000 0.954 432 Q CA 0.974 56.777 55.803 0.001 0.000 0.901 432 Q CB 0.052 28.791 28.738 0.001 0.000 0.981 432 Q HN 0.604 nan 8.270 nan 0.000 0.483 433 N N -2.829 115.871 118.700 0.001 0.000 3.106 433 N HA 0.359 5.099 4.740 0.000 0.000 0.253 433 N C -0.171 175.340 175.510 0.002 0.000 1.506 433 N CA -0.078 52.973 53.050 0.001 0.000 0.876 433 N CB 0.106 38.594 38.487 0.002 0.000 1.452 433 N HN -0.146 nan 8.380 nan 0.000 0.542 434 A N -0.260 122.561 122.820 0.002 0.000 1.883 434 A HA -0.168 4.152 4.320 0.000 0.000 0.217 434 A C 1.256 178.841 177.584 0.002 0.000 1.186 434 A CA 2.041 54.079 52.037 0.002 0.000 0.624 434 A CB -1.070 17.931 19.000 0.002 0.000 0.822 434 A HN 0.731 nan 8.150 nan 0.000 0.444 435 D N -0.493 119.908 120.400 0.003 0.000 2.149 435 D HA -0.156 4.484 4.640 0.000 0.000 0.198 435 D C 2.143 178.445 176.300 0.003 0.000 0.990 435 D CA 1.414 55.416 54.000 0.003 0.000 0.839 435 D CB -0.379 40.423 40.800 0.004 0.000 0.948 435 D HN 0.630 nan 8.370 nan 0.000 0.460 436 Q N -0.057 119.745 119.800 0.003 0.000 2.167 436 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 436 Q C 1.735 177.736 176.000 0.002 0.000 0.970 436 Q CA 0.599 56.403 55.803 0.002 0.000 0.855 436 Q CB 0.075 28.814 28.738 0.002 0.000 0.911 436 Q HN 0.236 nan 8.270 nan 0.000 0.438 437 N N -0.064 118.638 118.700 0.002 0.000 2.188 437 N HA -0.109 4.631 4.740 0.000 0.000 0.184 437 N C 1.814 177.326 175.510 0.003 0.000 1.018 437 N CA 0.876 53.928 53.050 0.002 0.000 0.858 437 N CB -0.174 38.314 38.487 0.002 0.000 0.989 437 N HN 0.042 nan 8.380 nan 0.000 0.426 438 V N 0.852 120.768 119.914 0.003 0.000 2.343 438 V HA -0.134 3.986 4.120 0.000 0.000 0.247 438 V C 2.440 178.536 176.094 0.004 0.000 1.051 438 V CA 1.979 64.281 62.300 0.003 0.000 1.036 438 V CB -1.217 30.608 31.823 0.004 0.000 0.654 438 V HN 0.324 nan 8.190 nan 0.000 0.451 439 G N -0.083 108.719 108.800 0.004 0.000 2.440 439 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 439 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 439 G C 1.591 176.493 174.900 0.004 0.000 1.154 439 G CA 1.121 46.224 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 0.000 0.000 0.242 440 I C 2.699 178.818 176.117 0.004 0.000 1.088 440 I CA 1.038 62.339 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 0.437 120.840 120.400 0.004 0.000 2.097 441 K HA -0.073 4.247 4.320 0.000 0.000 0.206 441 K C 2.131 178.734 176.600 0.005 0.000 1.049 441 K CA 0.990 57.280 56.287 0.005 0.000 0.933 441 K CB -0.749 31.753 32.500 0.004 0.000 0.717 441 K HN 0.204 nan 8.250 nan 0.000 0.442 442 V N 1.697 121.614 119.914 0.005 0.000 2.287 442 V HA -0.277 3.844 4.120 0.000 0.000 0.248 442 V C 2.471 178.569 176.094 0.007 0.000 1.053 442 V CA 2.115 64.418 62.300 0.006 0.000 1.027 442 V CB -0.817 31.009 31.823 0.006 0.000 0.646 442 V HN 0.307 nan 8.190 nan 0.000 0.447 443 A N -0.356 122.468 122.820 0.006 0.000 1.902 443 A HA -0.135 4.185 4.320 0.000 0.000 0.217 443 A C 2.177 179.765 177.584 0.007 0.000 1.181 443 A CA 1.735 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 -1.438 119.789 121.223 0.007 0.000 2.141 444 L HA -0.129 4.211 4.340 0.000 0.000 0.209 444 L C 2.790 179.666 176.870 0.010 0.000 1.094 444 L CA 1.432 56.277 54.840 0.008 0.000 0.763 444 L CB -0.506 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 0.301 120.806 120.500 0.009 0.000 2.073 445 R HA -0.086 4.254 4.340 0.000 0.000 0.229 445 R C 2.382 178.688 176.300 0.009 0.000 1.120 445 R CA 1.222 57.327 56.100 0.009 0.000 0.967 445 R CB -0.183 30.121 30.300 0.007 0.000 0.862 445 R HN 0.315 nan 8.270 nan 0.000 0.436 446 A N 0.431 123.257 122.820 0.010 0.000 2.070 446 A HA -0.144 4.176 4.320 0.000 0.000 0.220 446 A C 1.990 179.582 177.584 0.012 0.000 1.159 446 A CA 1.143 53.187 52.037 0.011 0.000 0.656 446 A CB -0.360 18.647 19.000 0.011 0.000 0.800 446 A HN 0.308 nan 8.150 nan 0.000 0.453 447 M N -0.735 118.873 119.600 0.012 0.000 2.549 447 M HA -0.109 4.371 4.480 0.000 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 32.451 32.600 0.014 0.000 1.418 447 M HN 0.480 nan 8.290 nan 0.000 0.486 448 E N -0.045 120.163 120.200 0.015 0.000 2.400 448 E HA 0.046 4.396 4.350 0.000 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 0.075 29.783 29.700 0.013 0.000 0.859 448 E HN 0.466 nan 8.360 nan 0.000 0.498 449 A N 2.512 125.339 122.820 0.011 0.000 1.903 449 A HA -0.166 4.154 4.320 0.000 0.000 0.219 449 A C -0.311 177.279 177.584 0.010 0.000 1.191 449 A CA 1.479 53.522 52.037 0.009 0.000 0.638 449 A CB -1.469 17.537 19.000 0.010 0.000 0.823 449 A HN 0.137 nan 8.150 nan 0.000 0.451 450 P HA -0.160 nan 4.420 nan 0.000 0.214 450 P C 1.821 179.130 177.300 0.014 0.000 1.163 450 P CA 1.089 64.197 63.100 0.014 0.000 0.883 450 P CB -0.138 31.572 31.700 0.017 0.000 0.788 451 L N -0.770 120.463 121.223 0.016 0.000 2.046 451 L HA -0.167 4.173 4.340 0.000 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 4.135 4.340 0.000 0.000 0.235 452 R C 2.309 178.605 176.300 -0.008 0.000 1.127 452 R CA 1.557 57.651 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 0.993 120.793 119.800 0.001 0.000 2.123 453 Q HA -0.024 4.316 4.340 0.000 0.000 0.199 453 Q C 1.787 177.791 176.000 0.007 0.000 0.966 453 Q CA 1.339 57.143 55.803 0.003 0.000 0.845 453 Q CB -0.030 28.711 28.738 0.005 0.000 0.907 453 Q HN 0.328 nan 8.270 nan 0.000 0.439 454 I N -0.774 119.803 120.570 0.013 0.000 2.226 454 I HA -0.262 3.909 4.170 0.000 0.000 0.245 454 I C 1.949 178.087 176.117 0.036 0.000 1.100 454 I CA 0.876 62.190 61.300 0.025 0.000 1.374 454 I CB -0.215 37.805 38.000 0.034 0.000 1.057 454 I HN 0.063 nan 8.210 nan 0.000 0.413 455 V N 0.531 120.459 119.914 0.022 0.000 2.307 455 V HA -0.272 3.848 4.120 0.000 0.000 0.245 455 V C 2.381 178.472 176.094 -0.006 0.000 1.045 455 V CA 1.564 63.862 62.300 -0.003 0.000 1.024 455 V CB -0.518 31.241 31.823 -0.106 0.000 0.651 455 V HN 0.342 nan 8.190 nan 0.000 0.449 456 L N 0.928 122.144 121.223 -0.011 0.000 2.042 456 L HA -0.173 4.167 4.340 0.000 0.000 0.210 456 L C 2.148 179.019 176.870 0.002 0.000 1.076 456 L CA 1.961 56.796 54.840 -0.008 0.000 0.749 456 L CB -0.909 41.146 42.059 -0.007 0.000 0.893 456 L HN 0.332 nan 8.230 nan 0.000 0.432 457 N N -1.336 117.368 118.700 0.007 0.000 2.381 457 N HA -0.141 4.599 4.740 0.000 0.000 0.182 457 N C 1.764 177.282 175.510 0.014 0.000 1.025 457 N CA 1.462 54.517 53.050 0.009 0.000 0.888 457 N CB -0.642 37.849 38.487 0.008 0.000 0.965 457 N HN 0.432 nan 8.380 nan 0.000 0.438 458 C N -0.757 118.558 119.300 0.026 0.000 2.468 458 C HA 0.206 4.666 4.460 0.000 0.000 0.277 458 C C 1.768 176.775 174.990 0.028 0.000 1.400 458 C CA 0.637 59.677 59.018 0.038 0.000 1.770 458 C CB -1.008 26.784 27.740 0.087 0.000 1.905 458 C HN 0.635 nan 8.230 nan 0.000 0.519 459 G N 0.391 109.201 108.800 0.016 0.000 2.144 459 G HA2 -0.143 3.817 3.960 0.000 0.000 0.218 459 G HA3 -0.143 3.817 3.960 0.000 0.000 0.218 459 G C -0.180 174.724 174.900 0.007 0.000 0.988 459 G CA 0.094 45.200 45.100 0.010 0.000 0.659 459 G HN 0.463 nan 8.290 nan 0.000 0.522 460 E N 0.319 120.519 120.200 0.000 0.000 2.302 460 E HA 0.490 4.840 4.350 0.000 0.000 0.255 460 E C 0.174 176.748 176.600 -0.044 0.000 1.099 460 E CA -0.642 55.744 56.400 -0.024 0.000 0.929 460 E CB 0.542 30.209 29.700 -0.055 0.000 1.203 460 E HN 0.495 nan 8.360 nan 0.000 0.459 461 E N 1.373 121.538 120.200 -0.058 0.000 2.081 461 E HA 0.148 4.498 4.350 0.000 0.000 0.281 461 E C -1.774 174.783 176.600 -0.072 0.000 0.986 461 E CA -1.646 54.725 56.400 -0.049 0.000 0.796 461 E CB 1.111 30.793 29.700 -0.030 0.000 1.085 461 E HN 0.118 nan 8.360 nan 0.000 0.398 462 P HA -0.211 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 -1.056 114.627 115.700 -0.028 0.000 2.382 463 S HA -0.101 4.369 4.470 0.000 0.000 0.228 463 S C 1.959 176.550 174.600 -0.014 0.000 1.027 463 S CA 1.105 59.295 58.200 -0.016 0.000 0.991 463 S CB -1.080 62.114 63.200 -0.010 0.000 0.823 463 S HN -0.063 nan 8.310 nan 0.000 0.469 464 V N 1.225 121.127 119.914 -0.020 0.000 2.270 464 V HA -0.118 4.002 4.120 0.000 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 -0.721 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 0.380 120.266 119.914 -0.046 0.000 2.343 465 V HA -0.252 3.868 4.120 0.000 0.000 0.247 465 V C 2.723 178.831 176.094 0.024 0.000 1.051 465 V CA 1.992 64.261 62.300 -0.051 0.000 1.036 465 V CB -1.202 30.384 31.823 -0.395 0.000 0.654 465 V HN 0.551 nan 8.190 nan 0.000 0.451 466 A N 0.531 123.345 122.820 -0.009 0.000 1.883 466 A HA -0.322 3.998 4.320 0.000 0.000 0.217 466 A C 2.081 179.690 177.584 0.042 0.000 1.186 466 A CA 2.484 54.532 52.037 0.019 0.000 0.624 466 A CB -0.937 18.065 19.000 0.004 0.000 0.822 466 A HN 0.619 nan 8.150 nan 0.000 0.444 467 N N -0.741 117.976 118.700 0.029 0.000 2.104 467 N HA -0.131 4.609 4.740 0.000 0.000 0.190 467 N C 1.667 177.201 175.510 0.040 0.000 1.024 467 N CA 2.366 55.432 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 0.413 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 0.000 0.000 0.266 468 T C 1.942 176.744 174.700 0.169 0.000 1.040 468 T CA 1.153 63.273 62.100 0.034 0.000 1.141 468 T CB -0.338 68.462 68.868 -0.113 0.000 0.868 468 T HN 0.021 nan 8.240 nan 0.000 0.444 469 V N 1.730 121.774 119.914 0.218 0.000 2.295 469 V HA -0.160 3.961 4.120 0.000 0.000 0.246 469 V C 2.441 178.668 176.094 0.222 0.000 1.049 469 V CA 1.501 63.957 62.300 0.261 0.000 1.024 469 V CB -0.481 31.441 31.823 0.165 0.000 0.648 469 V HN 0.467 nan 8.190 nan 0.000 0.447 470 K N 0.328 120.805 120.400 0.129 0.000 2.209 470 K HA -0.114 4.206 4.320 0.000 0.000 0.204 470 K C 2.205 178.850 176.600 0.074 0.000 1.048 470 K CA 1.318 57.658 56.287 0.089 0.000 0.940 470 K CB -0.553 31.979 32.500 0.054 0.000 0.729 470 K HN 0.581 nan 8.250 nan 0.000 0.451 471 G N 1.332 110.176 108.800 0.072 0.000 2.418 471 G HA2 -0.146 3.814 3.960 0.000 0.000 0.217 471 G HA3 -0.146 3.814 3.960 0.000 0.000 0.217 471 G C 0.955 175.844 174.900 -0.018 0.000 1.158 471 G CA 0.905 46.016 45.100 0.018 0.000 0.771 471 G HN 0.401 nan 8.290 nan 0.000 0.545 472 G N -0.075 108.731 108.800 0.010 0.000 2.666 472 G HA2 0.482 4.442 3.960 0.000 0.000 0.207 472 G HA3 0.482 4.442 3.960 0.000 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 -4.088 116.343 120.400 0.052 0.000 2.738 473 D HA 0.492 5.133 4.640 0.000 0.000 0.308 473 D C 0.550 176.916 176.300 0.110 0.000 1.311 473 D CA 0.534 54.581 54.000 0.079 0.000 0.799 473 D CB 0.375 41.191 40.800 0.027 0.000 1.332 473 D HN 1.733 nan 8.370 nan 0.000 0.441 474 G N 0.404 109.254 108.800 0.083 0.000 2.550 474 G HA2 -0.341 3.619 3.960 0.000 0.000 0.277 474 G HA3 -0.341 3.619 3.960 0.000 0.000 0.277 474 G C 0.234 175.197 174.900 0.106 0.000 1.190 474 G CA 0.381 45.529 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 4.924 4.740 0.000 0.000 0.196 475 N C 0.218 175.812 175.510 0.141 0.000 1.183 475 N CA -0.093 53.016 53.050 0.099 0.000 0.849 475 N CB 0.129 38.658 38.487 0.071 0.000 0.992 475 N HN 0.458 nan 8.380 nan 0.000 0.460 476 Y N 1.572 121.906 120.300 0.056 0.000 2.569 476 Y HA 0.319 4.869 4.550 0.000 0.000 0.332 476 Y C 0.630 176.601 175.900 0.117 0.000 1.120 476 Y CA -0.024 58.126 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 4.229 112.825 108.800 -0.340 0.000 2.721 477 G HA2 0.279 4.239 3.960 0.000 0.000 0.296 477 G HA3 0.279 4.239 3.960 0.000 0.000 0.296 477 G C -2.455 172.325 174.900 -0.201 0.000 1.383 477 G CA -0.918 44.059 45.100 -0.205 0.000 0.788 477 G HN 0.490 nan 8.290 nan 0.000 0.500 478 Y N 1.515 121.655 120.300 -0.266 0.000 2.331 478 Y HA 0.543 5.093 4.550 0.000 0.000 0.338 478 Y C -0.011 175.722 175.900 -0.278 0.000 0.976 478 Y CA -1.398 56.448 58.100 -0.424 0.000 1.137 478 Y CB 1.422 39.613 38.460 -0.448 0.000 1.172 478 Y HN 0.416 nan 8.280 nan 0.000 0.478 479 N N 4.785 123.044 118.700 -0.736 0.000 2.415 479 N HA 0.176 4.916 4.740 0.000 0.000 0.246 479 N C 0.377 175.404 175.510 -0.806 0.000 1.078 479 N CA 0.530 53.251 53.050 -0.549 0.000 0.942 479 N CB 1.413 39.676 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 -0.497 0.000 2.067 480 A HA 0.018 4.338 4.320 0.000 0.000 0.219 480 A C 1.985 179.437 177.584 -0.220 0.000 1.158 480 A CA 1.438 53.285 52.037 -0.318 0.000 0.661 480 A CB -0.302 18.667 19.000 -0.052 0.000 0.801 480 A HN 0.706 nan 8.150 nan 0.000 0.452 481 A N -0.292 122.408 122.820 -0.201 0.000 1.897 481 A HA -0.034 4.286 4.320 0.000 0.000 0.215 481 A C 2.314 179.813 177.584 -0.142 0.000 1.181 481 A CA 2.214 54.172 52.037 -0.133 0.000 0.620 481 A CB -0.883 18.053 19.000 -0.105 0.000 0.821 481 A HN 0.737 nan 8.150 nan 0.000 0.443 482 T N -3.689 110.746 114.554 -0.198 0.000 3.040 482 T HA 0.200 4.551 4.350 0.000 0.000 0.250 482 T C 0.183 174.760 174.700 -0.205 0.000 1.058 482 T CA 0.633 62.633 62.100 -0.165 0.000 0.988 482 T CB -0.193 68.589 68.868 -0.143 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 -0.370 0.000 2.416 483 E HA -0.128 4.222 4.350 0.000 0.000 0.249 483 E C -0.900 175.508 176.600 -0.318 0.000 1.124 483 E CA 0.554 56.715 56.400 -0.398 0.000 0.732 483 E CB -1.319 28.351 29.700 -0.050 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 4.755 4.350 0.000 0.000 0.270 484 E C -0.438 175.972 176.600 -0.318 0.000 0.885 484 E CA -0.743 55.524 56.400 -0.222 0.000 0.760 484 E CB 1.011 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 -0.017 0.000 2.326 485 Y HA 0.603 5.153 4.550 0.000 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 1.554 40.004 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 -0.010 3.951 3.960 0.000 0.000 0.291 486 G HA3 -0.010 3.951 3.960 0.000 0.000 0.291 486 G C -1.891 173.053 174.900 0.074 0.000 1.278 486 G CA -1.158 44.001 45.100 0.098 0.000 0.860 486 G HN 0.518 nan 8.290 nan 0.000 0.504 487 N N 1.159 119.916 118.700 0.095 0.000 2.406 487 N HA 0.141 4.881 4.740 0.000 0.000 0.251 487 N C 1.716 177.243 175.510 0.029 0.000 1.069 487 N CA -0.559 52.542 53.050 0.085 0.000 0.947 487 N CB 0.825 39.362 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 4.286 4.480 0.000 0.000 0.259 488 M C 1.618 177.918 176.300 -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 31.933 32.600 -0.008 0.000 1.351 488 M HN 0.538 nan 8.290 nan 0.000 0.404 489 I N 0.465 121.043 120.570 0.014 0.000 2.202 489 I HA -0.249 3.921 4.170 0.000 0.000 0.242 489 I C 1.907 178.030 176.117 0.009 0.000 1.091 489 I CA 1.420 62.727 61.300 0.013 0.000 1.368 489 I CB -1.698 36.314 38.000 0.020 0.000 1.058 489 I HN 0.237 nan 8.210 nan 0.000 0.410 490 D N 0.606 121.015 120.400 0.015 0.000 2.218 490 D HA -0.150 4.490 4.640 0.000 0.000 0.204 490 D C 2.165 178.466 176.300 0.002 0.000 0.976 490 D CA 1.106 55.114 54.000 0.012 0.000 0.853 490 D CB -0.137 40.676 40.800 0.022 0.000 0.939 490 D HN 0.368 nan 8.370 nan 0.000 0.481 491 M N -0.834 118.763 119.600 -0.006 0.000 2.561 491 M HA 0.162 4.642 4.480 0.000 0.000 0.238 491 M C 0.992 177.278 176.300 -0.023 0.000 1.131 491 M CA 0.411 55.698 55.300 -0.021 0.000 1.046 491 M CB 0.570 33.145 32.600 -0.041 0.000 1.532 491 M HN 0.026 nan 8.290 nan 0.000 0.497 492 G N 2.288 111.080 108.800 -0.014 0.000 2.176 492 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 492 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 492 G C -0.059 174.831 174.900 -0.016 0.000 1.024 492 G CA -0.223 44.870 45.100 -0.012 0.000 0.755 492 G HN 0.539 nan 8.290 nan 0.000 0.507 493 I N 1.036 121.594 120.570 -0.020 0.000 2.361 493 I HA 0.454 4.624 4.170 0.000 0.000 0.282 493 I C 0.476 176.587 176.117 -0.010 0.000 1.075 493 I CA -0.483 60.803 61.300 -0.022 0.000 1.205 493 I CB 0.379 38.356 38.000 -0.039 0.000 1.406 493 I HN 0.014 nan 8.210 nan 0.000 0.481 494 L N 4.392 125.613 121.223 -0.003 0.000 2.341 494 L HA 0.702 5.042 4.340 0.000 0.000 0.267 494 L C -0.964 175.911 176.870 0.008 0.000 1.009 494 L CA -0.958 53.884 54.840 0.004 0.000 0.819 494 L CB 2.051 44.114 42.059 0.007 0.000 1.323 494 L HN 0.275 nan 8.230 nan 0.000 0.425 495 D N 0.638 121.046 120.400 0.013 0.000 2.646 495 D HA 0.395 5.035 4.640 0.000 0.000 0.245 495 D C -2.650 173.663 176.300 0.022 0.000 1.099 495 D CA -1.419 52.592 54.000 0.018 0.000 0.849 495 D CB 2.507 43.318 40.800 0.018 0.000 1.448 495 D HN 0.124 nan 8.370 nan 0.000 0.489 496 P HA 0.087 nan 4.420 nan 0.000 0.267 496 P C 0.823 178.139 177.300 0.026 0.000 1.205 496 P CA -0.005 63.111 63.100 0.028 0.000 0.765 496 P CB 0.663 32.386 31.700 0.038 0.000 0.828 497 T N 2.238 116.804 114.554 0.020 0.000 2.849 497 T HA -0.201 4.149 4.350 0.000 0.000 0.270 497 T C 1.593 176.306 174.700 0.021 0.000 1.066 497 T CA 1.256 63.367 62.100 0.018 0.000 1.130 497 T CB -0.253 68.623 68.868 0.013 0.000 0.864 497 T HN 0.498 nan 8.240 nan 0.000 0.481 498 K N 0.827 121.242 120.400 0.025 0.000 2.057 498 K HA -0.073 4.247 4.320 0.000 0.000 0.207 498 K C 2.418 179.046 176.600 0.047 0.000 1.049 498 K CA 1.321 57.626 56.287 0.031 0.000 0.931 498 K CB -0.305 32.213 32.500 0.030 0.000 0.714 498 K HN 0.310 nan 8.250 nan 0.000 0.440 499 V N 0.261 120.206 119.914 0.052 0.000 2.453 499 V HA -0.138 3.982 4.120 0.000 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 0.062 0.000 1.049 499 V CB -0.436 31.424 31.823 0.061 0.000 0.672 499 V HN 0.343 nan 8.190 nan 0.000 0.457 500 T N 0.637 115.214 114.554 0.039 0.000 2.708 500 T HA -0.168 4.182 4.350 0.000 0.000 0.266 500 T C 1.964 176.680 174.700 0.028 0.000 1.037 500 T CA 2.078 64.197 62.100 0.032 0.000 1.146 500 T CB -0.394 68.489 68.868 0.024 0.000 0.865 500 T HN 0.594 nan 8.240 nan 0.000 0.435 501 R N 0.950 121.462 120.500 0.021 0.000 2.083 501 R HA -0.102 4.238 4.340 0.000 0.000 0.237 501 R C 2.528 178.826 176.300 -0.004 0.000 1.137 501 R CA 1.811 57.913 56.100 0.003 0.000 0.951 501 R CB -0.360 29.938 30.300 -0.003 0.000 0.851 501 R HN 0.258 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 0.000 0.000 0.225 502 S C 2.037 176.726 174.600 0.147 0.000 1.030 502 S CA 1.108 59.358 58.200 0.083 0.000 0.999 502 S CB -0.264 63.049 63.200 0.188 0.000 0.844 502 S HN 0.575 nan 8.310 nan 0.000 0.459 503 A N 1.513 124.404 122.820 0.118 0.000 1.883 503 A HA -0.092 4.228 4.320 0.000 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 -0.796 18.246 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 2.056 504 L HA -0.186 4.154 4.340 0.000 0.000 0.207 504 L C 2.508 179.368 176.870 -0.016 0.000 1.078 504 L CA 2.324 57.172 54.840 0.013 0.000 0.749 504 L CB -0.686 41.373 42.059 0.001 0.000 0.901 504 L HN 0.516 nan 8.230 nan 0.000 0.433 505 Q N -1.864 117.891 119.800 -0.075 0.000 2.079 505 Q HA -0.205 4.135 4.340 0.000 0.000 0.200 505 Q C 2.139 178.023 176.000 -0.193 0.000 0.974 505 Q CA 1.873 57.571 55.803 -0.175 0.000 0.840 505 Q CB -0.303 28.257 28.738 -0.298 0.000 0.898 505 Q HN 0.513 nan 8.270 nan 0.000 0.430 506 Y N 0.264 120.567 120.300 0.005 0.000 2.314 506 Y HA -0.120 4.430 4.550 0.000 0.000 0.293 506 Y C 2.348 178.251 175.900 0.004 0.000 1.129 506 Y CA 0.851 58.954 58.100 0.004 0.000 1.201 506 Y CB -0.561 37.901 38.460 0.004 0.000 0.999 506 Y HN 0.129 nan 8.280 nan 0.000 0.541 507 A N 0.022 122.924 122.820 0.137 0.000 1.877 507 A HA -0.119 4.201 4.320 0.000 0.000 0.216 507 A C 2.462 180.077 177.584 0.052 0.000 1.186 507 A CA 1.895 53.981 52.037 0.082 0.000 0.620 507 A CB -1.221 17.813 19.000 0.058 0.000 0.822 507 A HN 0.369 nan 8.150 nan 0.000 0.443 508 A N -0.871 121.965 122.820 0.027 0.000 1.930 508 A HA -0.064 4.256 4.320 0.000 0.000 0.217 508 A C 2.461 180.054 177.584 0.014 0.000 1.175 508 A CA 2.110 54.153 52.037 0.011 0.000 0.627 508 A CB -0.870 18.125 19.000 -0.008 0.000 0.815 508 A HN 0.586 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 0.000 0.000 0.221 509 S C 1.907 176.536 174.600 0.048 0.000 1.033 509 S CA 1.804 60.021 58.200 0.028 0.000 1.010 509 S CB -0.503 62.721 63.200 0.040 0.000 0.891 509 S HN 0.300 nan 8.310 nan 0.000 0.442 510 V N 2.276 122.232 119.914 0.069 0.000 2.427 510 V HA -0.049 4.071 4.120 0.000 0.000 0.248 510 V C 2.895 179.012 176.094 0.037 0.000 1.051 510 V CA 1.582 63.915 62.300 0.055 0.000 1.048 510 V CB -1.401 30.458 31.823 0.060 0.000 0.666 510 V HN 0.615 nan 8.190 nan 0.000 0.456 511 A N 0.806 123.647 122.820 0.035 0.000 1.902 511 A HA -0.114 4.206 4.320 0.000 0.000 0.217 511 A C 2.445 180.041 177.584 0.021 0.000 1.181 511 A CA 2.001 54.053 52.037 0.025 0.000 0.623 511 A CB -1.281 17.732 19.000 0.023 0.000 0.818 511 A HN 0.518 nan 8.150 nan 0.000 0.443 512 G N -0.186 108.626 108.800 0.019 0.000 2.440 512 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 512 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 512 G C 1.561 176.471 174.900 0.017 0.000 1.154 512 G CA 1.093 46.202 45.100 0.015 0.000 0.767 512 G HN 0.441 nan 8.290 nan 0.000 0.552 513 L N -0.263 120.972 121.223 0.020 0.000 2.017 513 L HA -0.054 4.286 4.340 0.000 0.000 0.208 513 L C 3.147 180.028 176.870 0.019 0.000 1.073 513 L CA 1.102 55.954 54.840 0.020 0.000 0.745 513 L CB -0.350 41.723 42.059 0.023 0.000 0.894 513 L HN 0.233 nan 8.230 nan 0.000 0.432 514 M N -0.588 119.024 119.600 0.020 0.000 2.117 514 M HA -0.214 4.266 4.480 0.000 0.000 0.262 514 M C 2.307 178.617 176.300 0.017 0.000 1.065 514 M CA 1.815 57.127 55.300 0.019 0.000 1.114 514 M CB -0.391 32.221 32.600 0.020 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 0.000 0.000 0.254 515 I C 1.881 178.007 176.117 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 -3.278 111.286 114.554 0.016 0.000 3.186 516 T HA 0.143 4.493 4.350 0.000 0.000 0.257 516 T C 0.559 175.271 174.700 0.019 0.000 1.029 516 T CA -0.272 61.839 62.100 0.018 0.000 0.916 516 T CB -0.444 68.433 68.868 0.016 0.000 1.041 516 T HN -0.058 nan 8.240 nan 0.000 0.562 517 T N 2.463 117.028 114.554 0.018 0.000 2.771 517 T HA 0.284 4.634 4.350 0.000 0.000 0.291 517 T C 0.657 175.369 174.700 0.019 0.000 0.954 517 T CA -0.473 61.636 62.100 0.016 0.000 1.045 517 T CB 1.444 70.320 68.868 0.013 0.000 0.917 517 T HN 0.097 nan 8.240 nan 0.000 0.484 518 E N 0.652 120.867 120.200 0.025 0.000 2.447 518 E HA 0.166 4.516 4.350 0.000 0.000 0.204 518 E C 0.234 176.848 176.600 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 0.260 119.523 119.300 -0.061 0.000 3.082 519 C HA 0.692 5.152 4.460 0.000 0.000 0.324 519 C C -1.439 173.451 174.990 -0.167 0.000 1.210 519 C CA -0.663 58.203 59.018 -0.253 0.000 1.366 519 C CB 0.569 28.086 27.740 -0.373 0.000 1.756 519 C HN 0.121 nan 8.230 nan 0.000 0.485 520 M N 4.519 124.015 119.600 -0.174 0.000 2.393 520 M HA 0.636 5.116 4.480 0.000 0.000 0.299 520 M C -1.166 175.191 176.300 0.094 0.000 1.103 520 M CA -0.590 54.729 55.300 0.032 0.000 0.910 520 M CB 2.185 34.925 32.600 0.233 0.000 1.659 520 M HN 0.413 nan 8.290 nan 0.000 0.445 521 V N 0.996 120.933 119.914 0.039 0.000 2.588 521 V HA 0.808 4.928 4.120 0.000 0.000 0.304 521 V C -0.392 175.648 176.094 -0.091 0.000 1.042 521 V CA -0.441 61.862 62.300 0.006 0.000 0.877 521 V CB 2.018 33.826 31.823 -0.026 0.000 0.996 521 V HN 0.954 nan 8.190 nan 0.000 0.425 522 T N 1.633 116.089 114.554 -0.165 0.000 2.821 522 T HA 0.393 4.743 4.350 0.000 0.000 0.306 522 T C -1.448 173.145 174.700 -0.179 0.000 1.313 522 T CA -0.551 61.390 62.100 -0.266 0.000 1.012 522 T CB 1.901 70.426 68.868 -0.572 0.000 1.298 522 T HN 0.649 nan 8.240 nan 0.000 0.502 523 D N 1.771 122.080 120.400 -0.152 0.000 2.423 523 D HA 0.274 4.914 4.640 0.000 0.000 0.238 523 D C 0.028 176.274 176.300 -0.089 0.000 1.142 523 D CA -0.080 53.865 54.000 -0.093 0.000 0.884 523 D CB 0.423 41.178 40.800 -0.076 0.000 1.199 523 D HN 0.279 nan 8.370 nan 0.000 0.438 524 L N 4.323 125.522 121.223 -0.039 0.000 2.453 524 L HA 0.180 4.520 4.340 0.000 0.000 0.272 524 L C -1.769 175.089 176.870 -0.021 0.000 1.182 524 L CA -1.335 53.498 54.840 -0.012 0.000 0.858 524 L CB 0.208 42.272 42.059 0.009 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 -0.006 0.000 1.635 525 P CA 0.365 63.457 63.100 -0.013 0.000 1.206 525 P CB -0.053 31.649 31.700 0.004 0.000 1.911 526 K N 0.000 120.393 120.400 -0.012 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 526 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543