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 1svt_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 2.800 125.616 122.820 -0.006 0.000 2.511 3 A HA 0.544 4.864 4.320 -0.000 0.000 0.242 3 A C 0.413 177.991 177.584 -0.009 0.000 1.069 3 A CA 0.269 52.304 52.037 -0.003 0.000 0.763 3 A CB 0.024 19.025 19.000 0.002 0.000 1.001 3 A HN 0.647 nan 8.150 nan 0.000 0.498 4 K N 1.181 121.577 120.400 -0.007 0.000 2.210 4 K HA 0.463 4.783 4.320 -0.000 0.000 0.236 4 K C -1.018 175.580 176.600 -0.002 0.000 1.016 4 K CA -0.679 55.597 56.287 -0.018 0.000 0.913 4 K CB 0.977 33.464 32.500 -0.021 0.000 1.141 4 K HN 0.709 nan 8.250 nan 0.000 0.462 5 D N 0.637 121.036 120.400 -0.002 0.000 2.408 5 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 5 D C -1.363 175.004 176.300 0.112 0.000 1.075 5 D CA -0.588 53.450 54.000 0.064 0.000 0.832 5 D CB 1.317 42.173 40.800 0.093 0.000 1.162 5 D HN 0.038 nan 8.370 nan 0.000 0.515 6 V N 4.177 124.118 119.914 0.045 0.000 2.417 6 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 6 V C 0.245 176.196 176.094 -0.237 0.000 1.024 6 V CA -0.694 61.543 62.300 -0.105 0.000 0.861 6 V CB 1.694 33.392 31.823 -0.208 0.000 0.985 6 V HN 0.402 nan 8.190 nan 0.000 0.436 7 K N 3.200 123.404 120.400 -0.326 0.000 2.267 7 K HA 0.751 5.071 4.320 -0.000 0.000 0.246 7 K C -1.590 174.688 176.600 -0.538 0.000 0.954 7 K CA -0.452 55.573 56.287 -0.437 0.000 0.824 7 K CB 1.956 34.089 32.500 -0.611 0.000 1.167 7 K HN 0.497 nan 8.250 nan 0.000 0.431 8 F N 0.724 120.631 119.950 -0.072 0.000 2.551 8 F HA 0.407 4.934 4.527 0.000 0.000 0.316 8 F C 1.098 176.869 175.800 -0.048 0.000 1.089 8 F CA 0.127 58.103 58.000 -0.040 0.000 0.915 8 F CB 2.109 41.095 39.000 -0.024 0.000 1.186 8 F HN 0.819 nan 8.300 nan 0.000 0.456 9 G N 2.694 111.609 108.800 0.191 0.000 2.602 9 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.310 9 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.310 9 G C 0.997 175.922 174.900 0.043 0.000 1.183 9 G CA 1.102 46.262 45.100 0.100 0.000 0.979 9 G HN 0.696 nan 8.290 nan 0.000 0.545 10 N N 1.190 119.907 118.700 0.028 0.000 2.013 10 N HA -0.074 4.666 4.740 -0.000 0.000 0.195 10 N C 1.904 177.399 175.510 -0.024 0.000 1.051 10 N CA 2.349 55.401 53.050 0.002 0.000 0.851 10 N CB -0.410 38.077 38.487 -0.000 0.000 1.044 10 N HN 0.580 nan 8.380 nan 0.000 0.422 11 D N 0.106 120.483 120.400 -0.038 0.000 2.149 11 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 11 D C 1.713 177.922 176.300 -0.153 0.000 1.001 11 D CA 1.523 55.466 54.000 -0.096 0.000 0.849 11 D CB -0.771 39.959 40.800 -0.117 0.000 0.939 11 D HN 0.441 nan 8.370 nan 0.000 0.449 12 A N 0.504 123.242 122.820 -0.136 0.000 1.972 12 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 12 A C 2.191 179.726 177.584 -0.081 0.000 1.169 12 A CA 1.374 53.315 52.037 -0.161 0.000 0.635 12 A CB -0.315 18.627 19.000 -0.096 0.000 0.810 12 A HN 0.148 nan 8.150 nan 0.000 0.446 13 R N -1.205 119.270 120.500 -0.041 0.000 2.080 13 R HA 0.050 4.390 4.340 -0.000 0.000 0.222 13 R C 2.004 178.293 176.300 -0.019 0.000 1.107 13 R CA 1.003 57.095 56.100 -0.014 0.000 0.980 13 R CB -0.522 29.777 30.300 -0.001 0.000 0.879 13 R HN 0.318 nan 8.270 nan 0.000 0.439 14 V N 1.934 121.829 119.914 -0.030 0.000 2.380 14 V HA -0.300 3.820 4.120 -0.000 0.000 0.251 14 V C 2.061 178.138 176.094 -0.028 0.000 1.063 14 V CA 1.732 64.015 62.300 -0.028 0.000 1.055 14 V CB -0.346 31.457 31.823 -0.034 0.000 0.657 14 V HN 0.197 nan 8.190 nan 0.000 0.455 15 K N -0.683 119.686 120.400 -0.053 0.000 1.985 15 K HA -0.085 4.235 4.320 -0.000 0.000 0.210 15 K C 2.070 178.684 176.600 0.023 0.000 1.047 15 K CA 1.591 57.864 56.287 -0.023 0.000 0.932 15 K CB -0.810 31.653 32.500 -0.062 0.000 0.716 15 K HN 0.354 nan 8.250 nan 0.000 0.439 16 M N 0.234 119.850 119.600 0.026 0.000 2.192 16 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 16 M C 1.947 178.262 176.300 0.026 0.000 1.071 16 M CA 1.215 56.538 55.300 0.039 0.000 1.082 16 M CB -0.169 32.452 32.600 0.035 0.000 1.373 16 M HN 0.075 nan 8.290 nan 0.000 0.408 17 L N 0.287 121.519 121.223 0.014 0.000 2.023 17 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 17 L C 2.329 179.207 176.870 0.013 0.000 1.073 17 L CA 1.816 56.663 54.840 0.012 0.000 0.745 17 L CB -0.601 41.462 42.059 0.006 0.000 0.900 17 L HN 0.174 nan 8.230 nan 0.000 0.435 18 R N -0.340 120.168 120.500 0.012 0.000 2.091 18 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 18 R C 2.189 178.500 176.300 0.018 0.000 1.136 18 R CA 1.237 57.345 56.100 0.014 0.000 0.959 18 R CB -1.268 29.041 30.300 0.014 0.000 0.856 18 R HN 0.578 nan 8.270 nan 0.000 0.437 19 G N 1.095 109.910 108.800 0.026 0.000 2.476 19 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 19 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 19 G C 1.468 176.379 174.900 0.018 0.000 1.164 19 G CA 1.039 46.155 45.100 0.027 0.000 0.768 19 G HN 0.303 nan 8.290 nan 0.000 0.560 20 V N 0.952 120.876 119.914 0.018 0.000 2.323 20 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 20 V C 2.238 178.338 176.094 0.011 0.000 1.041 20 V CA 2.585 64.894 62.300 0.013 0.000 1.025 20 V CB -0.884 30.948 31.823 0.015 0.000 0.656 20 V HN 0.521 nan 8.190 nan 0.000 0.451 21 N N -0.063 118.643 118.700 0.011 0.000 2.073 21 N HA -0.248 4.492 4.740 -0.000 0.000 0.199 21 N C 1.799 177.314 175.510 0.007 0.000 1.023 21 N CA 2.258 55.313 53.050 0.008 0.000 0.880 21 N CB -0.428 38.064 38.487 0.008 0.000 1.052 21 N HN 0.459 nan 8.380 nan 0.000 0.449 22 V N 1.819 121.738 119.914 0.008 0.000 2.255 22 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 22 V C 2.254 178.351 176.094 0.005 0.000 1.051 22 V CA 1.410 63.714 62.300 0.007 0.000 1.018 22 V CB -0.698 31.130 31.823 0.008 0.000 0.641 22 V HN 0.419 nan 8.190 nan 0.000 0.445 23 L N 0.221 121.447 121.223 0.005 0.000 2.013 23 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 23 L C 2.472 179.343 176.870 0.001 0.000 1.073 23 L CA 2.675 57.516 54.840 0.002 0.000 0.753 23 L CB -0.818 41.241 42.059 0.001 0.000 0.890 23 L HN 0.397 nan 8.230 nan 0.000 0.432 24 A N -0.825 121.997 122.820 0.003 0.000 1.968 24 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 24 A C 1.770 179.356 177.584 0.003 0.000 1.169 24 A CA 1.514 53.553 52.037 0.003 0.000 0.638 24 A CB -0.441 18.562 19.000 0.005 0.000 0.812 24 A HN 0.485 nan 8.150 nan 0.000 0.446 25 D N -0.218 120.184 120.400 0.003 0.000 2.312 25 D HA 0.114 4.754 4.640 -0.000 0.000 0.211 25 D C 1.971 178.272 176.300 0.002 0.000 0.964 25 D CA 1.102 55.104 54.000 0.003 0.000 0.877 25 D CB -0.002 40.800 40.800 0.003 0.000 0.924 25 D HN 0.440 nan 8.370 nan 0.000 0.515 26 A N 0.171 122.992 122.820 0.001 0.000 1.887 26 A HA -0.011 4.309 4.320 -0.000 0.000 0.212 26 A C 2.211 179.794 177.584 -0.001 0.000 1.198 26 A CA 0.508 52.545 52.037 -0.000 0.000 0.628 26 A CB -0.524 18.476 19.000 -0.000 0.000 0.847 26 A HN 0.151 nan 8.150 nan 0.000 0.449 27 V N 1.369 121.282 119.914 -0.002 0.000 2.719 27 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 27 V C 2.337 178.429 176.094 -0.003 0.000 1.065 27 V CA 2.258 64.556 62.300 -0.004 0.000 1.086 27 V CB -0.562 31.258 31.823 -0.006 0.000 0.700 27 V HN 0.765 nan 8.190 nan 0.000 0.467 28 K N 0.562 120.961 120.400 -0.000 0.000 2.365 28 K HA -0.035 4.285 4.320 -0.000 0.000 0.199 28 K C 1.494 178.095 176.600 0.001 0.000 1.045 28 K CA 1.650 57.938 56.287 0.001 0.000 0.962 28 K CB -0.439 32.063 32.500 0.003 0.000 0.759 28 K HN 0.520 nan 8.250 nan 0.000 0.469 29 V N -0.360 119.555 119.914 0.001 0.000 3.510 29 V HA -0.019 4.101 4.120 -0.000 0.000 0.270 29 V C 1.585 177.679 176.094 0.000 0.000 1.201 29 V CA 1.146 63.446 62.300 0.001 0.000 1.166 29 V CB -0.840 30.983 31.823 0.001 0.000 0.825 29 V HN 0.485 nan 8.190 nan 0.000 0.484 30 T N -3.441 111.112 114.554 -0.001 0.000 3.092 30 T HA 0.257 4.607 4.350 -0.000 0.000 0.258 30 T C 1.308 176.006 174.700 -0.004 0.000 1.031 30 T CA 0.319 62.417 62.100 -0.003 0.000 0.925 30 T CB 0.574 69.439 68.868 -0.005 0.000 1.036 30 T HN 0.299 nan 8.240 nan 0.000 0.544 31 L N 2.741 123.963 121.223 -0.002 0.000 2.005 31 L HA 0.372 4.712 4.340 -0.000 0.000 0.207 31 L C 1.703 178.571 176.870 -0.003 0.000 1.072 31 L CA 1.420 56.258 54.840 -0.002 0.000 0.744 31 L CB -1.364 40.696 42.059 0.002 0.000 0.895 31 L HN 0.416 nan 8.230 nan 0.000 0.433 32 G N -0.346 108.453 108.800 -0.001 0.000 2.711 32 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.367 32 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.367 32 G C -1.480 173.411 174.900 -0.015 0.000 1.276 32 G CA 0.303 45.400 45.100 -0.005 0.000 1.193 32 G HN 0.437 nan 8.290 nan 0.000 0.704 33 P HA 0.107 nan 4.420 nan 0.000 0.240 33 P C 0.439 177.725 177.300 -0.022 0.000 1.190 33 P CA 0.913 63.996 63.100 -0.028 0.000 0.781 33 P CB 0.498 32.172 31.700 -0.043 0.000 0.931 34 K N 0.851 121.241 120.400 -0.017 0.000 3.122 34 K HA 0.332 4.652 4.320 -0.000 0.000 0.193 34 K C 0.707 177.305 176.600 -0.005 0.000 1.141 34 K CA -0.340 55.940 56.287 -0.011 0.000 0.975 34 K CB 0.954 33.447 32.500 -0.011 0.000 1.173 34 K HN 0.011 nan 8.250 nan 0.000 0.546 35 G N 1.058 109.854 108.800 -0.006 0.000 2.636 35 G HA2 0.095 4.055 3.960 -0.000 0.000 0.246 35 G HA3 0.095 4.055 3.960 -0.000 0.000 0.246 35 G C 0.178 175.077 174.900 -0.002 0.000 1.216 35 G CA -0.469 44.630 45.100 -0.003 0.000 0.854 35 G HN 0.226 nan 8.290 nan 0.000 0.572 36 R N 0.103 120.603 120.500 -0.001 0.000 2.607 36 R HA 0.301 4.641 4.340 -0.000 0.000 0.261 36 R C -0.151 176.149 176.300 -0.001 0.000 1.051 36 R CA -0.865 55.234 56.100 -0.000 0.000 1.110 36 R CB 0.441 30.741 30.300 0.001 0.000 1.158 36 R HN 0.510 nan 8.270 nan 0.000 0.543 37 N N 0.052 118.752 118.700 -0.001 0.000 2.498 37 N HA 0.276 5.016 4.740 -0.000 0.000 0.287 37 N C -0.741 174.769 175.510 -0.001 0.000 1.097 37 N CA -0.350 52.699 53.050 -0.001 0.000 0.973 37 N CB 1.850 40.337 38.487 -0.001 0.000 1.153 37 N HN 0.100 nan 8.380 nan 0.000 0.472 38 V N 1.817 121.731 119.914 -0.001 0.000 2.555 38 V HA 0.350 4.470 4.120 -0.000 0.000 0.302 38 V C -0.009 176.085 176.094 -0.000 0.000 1.038 38 V CA -0.810 61.489 62.300 -0.001 0.000 0.887 38 V CB 2.178 34.001 31.823 -0.001 0.000 0.991 38 V HN 0.289 nan 8.190 nan 0.000 0.434 39 V N 5.936 125.850 119.914 0.000 0.000 2.427 39 V HA 0.488 4.608 4.120 -0.000 0.000 0.286 39 V C -0.623 175.472 176.094 0.002 0.000 1.034 39 V CA -0.518 61.782 62.300 0.001 0.000 0.893 39 V CB 1.511 33.335 31.823 0.001 0.000 0.982 39 V HN 0.535 nan 8.190 nan 0.000 0.452 40 L N 4.264 125.489 121.223 0.003 0.000 2.377 40 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 40 L C -0.135 176.739 176.870 0.008 0.000 0.991 40 L CA -0.199 54.643 54.840 0.005 0.000 0.851 40 L CB 1.313 43.374 42.059 0.004 0.000 1.218 40 L HN 0.607 nan 8.230 nan 0.000 0.420 41 D N 3.442 123.847 120.400 0.007 0.000 2.362 41 D HA 0.260 4.900 4.640 -0.000 0.000 0.238 41 D C -0.194 176.117 176.300 0.018 0.000 1.212 41 D CA 0.427 54.433 54.000 0.010 0.000 0.902 41 D CB 0.798 41.600 40.800 0.005 0.000 1.180 41 D HN 0.441 nan 8.370 nan 0.000 0.445 42 K N 0.182 120.598 120.400 0.027 0.000 2.556 42 K HA 0.270 4.590 4.320 -0.000 0.000 0.274 42 K C -0.027 176.612 176.600 0.065 0.000 0.966 42 K CA -0.516 55.799 56.287 0.048 0.000 0.865 42 K CB 1.179 33.709 32.500 0.049 0.000 1.444 42 K HN 0.377 nan 8.250 nan 0.000 0.433 43 S N 0.997 116.770 115.700 0.121 0.000 2.321 43 S HA 0.137 4.607 4.470 -0.000 0.000 0.188 43 S C 0.489 175.156 174.600 0.111 0.000 1.080 43 S CA 0.326 58.588 58.200 0.103 0.000 1.198 43 S CB -0.587 62.731 63.200 0.197 0.000 0.926 43 S HN 0.448 nan 8.310 nan 0.000 0.426 44 F N 2.892 122.840 119.950 -0.004 0.000 2.529 44 F HA 0.492 5.019 4.527 -0.000 0.000 0.365 44 F C 1.555 177.353 175.800 -0.003 0.000 1.102 44 F CA 0.362 58.360 58.000 -0.003 0.000 1.271 44 F CB -1.033 37.965 39.000 -0.004 0.000 1.120 44 F HN 0.734 nan 8.300 nan 0.000 0.579 45 G N 0.887 109.777 108.800 0.150 0.000 2.693 45 G HA2 0.195 4.155 3.960 -0.000 0.000 0.226 45 G HA3 0.195 4.155 3.960 -0.000 0.000 0.226 45 G C -0.583 174.347 174.900 0.050 0.000 1.354 45 G CA -0.705 44.446 45.100 0.085 0.000 0.873 45 G HN 1.167 nan 8.290 nan 0.000 0.562 46 A N 1.114 123.956 122.820 0.037 0.000 2.322 46 A HA 0.813 5.133 4.320 -0.000 0.000 0.269 46 A C -0.831 176.767 177.584 0.023 0.000 1.094 46 A CA -0.134 51.916 52.037 0.023 0.000 0.807 46 A CB 0.093 19.103 19.000 0.018 0.000 1.047 46 A HN 0.933 nan 8.150 nan 0.000 0.487 47 P HA 0.217 nan 4.420 nan 0.000 0.273 47 P C -0.371 176.936 177.300 0.013 0.000 1.250 47 P CA 0.026 63.135 63.100 0.014 0.000 0.793 47 P CB 0.367 32.071 31.700 0.008 0.000 1.011 48 T N 1.101 115.662 114.554 0.011 0.000 2.794 48 T HA 0.492 4.842 4.350 -0.000 0.000 0.280 48 T C 0.157 174.860 174.700 0.005 0.000 0.987 48 T CA -0.389 61.717 62.100 0.009 0.000 0.993 48 T CB 0.128 69.001 68.868 0.009 0.000 0.939 48 T HN 0.166 nan 8.240 nan 0.000 0.449 49 I N 2.895 123.468 120.570 0.004 0.000 2.336 49 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 49 I C 0.453 176.570 176.117 0.001 0.000 0.991 49 I CA -0.534 60.767 61.300 0.002 0.000 1.227 49 I CB 1.569 39.570 38.000 0.002 0.000 1.366 49 I HN 0.456 nan 8.210 nan 0.000 0.466 50 T N 4.492 119.046 114.554 -0.000 0.000 2.900 50 T HA 0.333 4.683 4.350 -0.000 0.000 0.303 50 T C -0.065 174.633 174.700 -0.003 0.000 1.142 50 T CA -0.523 61.576 62.100 -0.002 0.000 1.007 50 T CB 1.884 70.751 68.868 -0.002 0.000 1.156 50 T HN 0.657 nan 8.240 nan 0.000 0.490 51 K N 1.808 122.205 120.400 -0.004 0.000 2.514 51 K HA 0.281 4.601 4.320 -0.000 0.000 0.207 51 K C -0.794 175.802 176.600 -0.007 0.000 1.035 51 K CA -0.173 56.111 56.287 -0.005 0.000 1.113 51 K CB 0.395 32.892 32.500 -0.006 0.000 0.846 51 K HN 0.463 nan 8.250 nan 0.000 0.491 52 D N -1.108 119.288 120.400 -0.007 0.000 2.462 52 D HA 0.206 4.846 4.640 -0.000 0.000 0.245 52 D C 1.154 177.448 176.300 -0.010 0.000 1.122 52 D CA -0.531 53.464 54.000 -0.009 0.000 0.864 52 D CB 1.245 42.039 40.800 -0.010 0.000 1.098 52 D HN 0.100 nan 8.370 nan 0.000 0.541 53 G N 2.183 110.976 108.800 -0.011 0.000 2.556 53 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 53 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 53 G C 1.476 176.367 174.900 -0.016 0.000 1.156 53 G CA 1.223 46.316 45.100 -0.012 0.000 0.766 53 G HN 0.481 nan 8.290 nan 0.000 0.583 54 V N 0.404 120.306 119.914 -0.019 0.000 2.392 54 V HA -0.168 3.951 4.120 -0.000 0.000 0.249 54 V C 3.021 179.103 176.094 -0.019 0.000 1.059 54 V CA 2.222 64.508 62.300 -0.023 0.000 1.051 54 V CB -0.363 31.443 31.823 -0.028 0.000 0.658 54 V HN 0.395 nan 8.190 nan 0.000 0.455 55 S N -0.770 114.922 115.700 -0.015 0.000 2.395 55 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 55 S C 1.940 176.535 174.600 -0.009 0.000 1.027 55 S CA 1.131 59.325 58.200 -0.011 0.000 0.965 55 S CB 0.101 63.296 63.200 -0.008 0.000 0.812 55 S HN 0.364 nan 8.310 nan 0.000 0.482 56 V N 1.876 121.785 119.914 -0.009 0.000 2.244 56 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 56 V C 2.658 178.747 176.094 -0.009 0.000 1.042 56 V CA 1.733 64.028 62.300 -0.007 0.000 1.006 56 V CB -1.187 30.632 31.823 -0.006 0.000 0.641 56 V HN 0.516 nan 8.190 nan 0.000 0.446 57 A N 0.259 123.072 122.820 -0.012 0.000 1.892 57 A HA -0.347 3.973 4.320 -0.000 0.000 0.218 57 A C 2.350 179.925 177.584 -0.015 0.000 1.188 57 A CA 2.553 54.581 52.037 -0.014 0.000 0.631 57 A CB -0.755 18.234 19.000 -0.019 0.000 0.822 57 A HN 0.523 nan 8.150 nan 0.000 0.447 58 R N -0.666 119.824 120.500 -0.017 0.000 2.174 58 R HA -0.248 4.092 4.340 -0.000 0.000 0.253 58 R C 1.803 178.095 176.300 -0.013 0.000 1.165 58 R CA 2.096 58.186 56.100 -0.017 0.000 0.984 58 R CB -0.214 30.076 30.300 -0.016 0.000 0.873 58 R HN 0.492 nan 8.270 nan 0.000 0.456 59 E N -0.148 120.047 120.200 -0.009 0.000 2.299 59 E HA 0.067 4.416 4.350 -0.000 0.000 0.193 59 E C -0.032 176.564 176.600 -0.006 0.000 0.998 59 E CA 0.197 56.593 56.400 -0.006 0.000 0.851 59 E CB 0.189 29.888 29.700 -0.003 0.000 0.795 59 E HN 0.214 nan 8.360 nan 0.000 0.492 60 I N 1.792 122.357 120.570 -0.007 0.000 2.556 60 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 60 I C 0.221 176.333 176.117 -0.007 0.000 1.114 60 I CA 0.503 61.799 61.300 -0.006 0.000 1.418 60 I CB 0.363 38.360 38.000 -0.005 0.000 1.394 60 I HN 0.080 nan 8.210 nan 0.000 0.552 61 E N 6.830 127.027 120.200 -0.006 0.000 2.522 61 E HA 0.361 4.711 4.350 -0.000 0.000 0.315 61 E C -1.836 174.761 176.600 -0.005 0.000 0.917 61 E CA -0.481 55.914 56.400 -0.007 0.000 0.796 61 E CB 1.427 31.121 29.700 -0.010 0.000 1.323 61 E HN 0.451 nan 8.360 nan 0.000 0.397 62 L N 3.016 124.237 121.223 -0.003 0.000 2.400 62 L HA 0.425 4.765 4.340 -0.000 0.000 0.264 62 L C 1.601 178.470 176.870 -0.001 0.000 1.061 62 L CA -0.460 54.381 54.840 0.002 0.000 0.799 62 L CB 1.155 43.220 42.059 0.010 0.000 1.240 62 L HN 0.714 nan 8.230 nan 0.000 0.461 63 E N 0.313 120.516 120.200 0.004 0.000 2.060 63 E HA -0.148 4.202 4.350 -0.000 0.000 0.189 63 E C 0.273 176.875 176.600 0.002 0.000 0.974 63 E CA 0.351 56.752 56.400 0.001 0.000 0.808 63 E CB 0.299 30.002 29.700 0.004 0.000 0.768 63 E HN 0.653 nan 8.360 nan 0.000 0.453 64 D N 1.651 122.063 120.400 0.021 0.000 2.344 64 D HA 0.009 4.649 4.640 -0.000 0.000 0.253 64 D C -0.660 175.661 176.300 0.035 0.000 1.255 64 D CA -0.031 53.996 54.000 0.045 0.000 0.894 64 D CB 0.505 41.350 40.800 0.074 0.000 1.067 64 D HN 0.048 nan 8.370 nan 0.000 0.492 65 K N 2.858 123.236 120.400 -0.037 0.000 2.274 65 K HA 0.078 4.398 4.320 -0.000 0.000 0.255 65 K C 0.498 177.053 176.600 -0.075 0.000 1.005 65 K CA -0.322 55.877 56.287 -0.147 0.000 0.864 65 K CB 0.401 32.715 32.500 -0.310 0.000 1.013 65 K HN 0.375 nan 8.250 nan 0.000 0.519 66 F N -1.566 118.370 119.950 -0.022 0.000 2.525 66 F HA -0.377 4.150 4.527 -0.000 0.000 0.755 66 F C 2.026 177.816 175.800 -0.017 0.000 0.485 66 F CA 1.746 59.732 58.000 -0.024 0.000 0.762 66 F CB -1.560 37.425 39.000 -0.026 0.000 1.609 66 F HN 0.784 nan 8.300 nan 0.000 0.279 67 E N 0.220 120.553 120.200 0.221 0.000 2.113 67 E HA -0.353 3.997 4.350 -0.000 0.000 0.210 67 E C 1.645 178.283 176.600 0.065 0.000 1.040 67 E CA 2.103 58.566 56.400 0.105 0.000 0.847 67 E CB -0.380 29.369 29.700 0.082 0.000 0.755 67 E HN 0.467 nan 8.360 nan 0.000 0.459 68 N N -0.191 118.534 118.700 0.043 0.000 2.036 68 N HA -0.184 4.556 4.740 -0.000 0.000 0.195 68 N C 1.779 177.293 175.510 0.008 0.000 1.037 68 N CA 1.755 54.810 53.050 0.009 0.000 0.855 68 N CB -0.076 38.400 38.487 -0.019 0.000 1.033 68 N HN 0.141 nan 8.380 nan 0.000 0.423 69 M N -0.762 118.844 119.600 0.009 0.000 2.108 69 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 69 M C 2.230 178.544 176.300 0.024 0.000 1.066 69 M CA 1.711 57.016 55.300 0.008 0.000 1.107 69 M CB -0.771 31.839 32.600 0.016 0.000 1.356 69 M HN 0.329 nan 8.290 nan 0.000 0.406 70 G N 0.015 108.841 108.800 0.043 0.000 2.440 70 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 70 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 70 G C 1.608 176.521 174.900 0.022 0.000 1.154 70 G CA 1.169 46.291 45.100 0.037 0.000 0.767 70 G HN 0.554 nan 8.290 nan 0.000 0.552 71 A N -0.066 122.764 122.820 0.018 0.000 1.874 71 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 71 A C 2.345 179.929 177.584 0.001 0.000 1.189 71 A CA 1.626 53.668 52.037 0.008 0.000 0.615 71 A CB -0.347 18.657 19.000 0.007 0.000 0.830 71 A HN 0.291 nan 8.150 nan 0.000 0.443 72 Q N -0.828 118.971 119.800 -0.002 0.000 2.297 72 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 72 Q C 1.935 177.929 176.000 -0.009 0.000 0.981 72 Q CA 1.422 57.219 55.803 -0.010 0.000 0.876 72 Q CB -0.405 28.325 28.738 -0.014 0.000 0.921 72 Q HN 0.764 nan 8.270 nan 0.000 0.446 73 M N -0.816 118.784 119.600 -0.001 0.000 2.191 73 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 73 M C 2.213 178.512 176.300 -0.001 0.000 1.083 73 M CA 0.773 56.075 55.300 0.002 0.000 1.154 73 M CB 0.015 32.623 32.600 0.013 0.000 1.344 73 M HN -0.070 nan 8.290 nan 0.000 0.431 74 V N 0.902 120.818 119.914 0.003 0.000 2.332 74 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 74 V C 2.104 178.188 176.094 -0.017 0.000 1.055 74 V CA 1.837 64.137 62.300 0.000 0.000 1.038 74 V CB -0.774 31.052 31.823 0.005 0.000 0.651 74 V HN 0.447 nan 8.190 nan 0.000 0.450 75 K N -0.302 120.086 120.400 -0.020 0.000 2.074 75 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 75 K C 2.232 178.801 176.600 -0.052 0.000 1.048 75 K CA 1.855 58.122 56.287 -0.032 0.000 0.926 75 K CB -0.198 32.286 32.500 -0.027 0.000 0.713 75 K HN 0.529 nan 8.250 nan 0.000 0.444 76 E N 0.626 120.797 120.200 -0.048 0.000 2.216 76 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 76 E C 1.870 178.402 176.600 -0.113 0.000 0.988 76 E CA 0.434 56.794 56.400 -0.066 0.000 0.834 76 E CB 0.334 30.007 29.700 -0.045 0.000 0.772 76 E HN 0.047 nan 8.360 nan 0.000 0.479 77 V N 0.672 120.524 119.914 -0.103 0.000 2.407 77 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 77 V C 2.268 178.188 176.094 -0.289 0.000 1.041 77 V CA 1.686 63.890 62.300 -0.160 0.000 1.040 77 V CB -0.094 31.721 31.823 -0.012 0.000 0.671 77 V HN 0.373 nan 8.190 nan 0.000 0.455 78 A N -0.736 121.992 122.820 -0.155 0.000 1.968 78 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 78 A C 2.535 180.021 177.584 -0.164 0.000 1.169 78 A CA 1.833 53.793 52.037 -0.128 0.000 0.638 78 A CB -0.614 18.353 19.000 -0.054 0.000 0.812 78 A HN 0.563 nan 8.150 nan 0.000 0.446 79 S N -0.133 115.473 115.700 -0.157 0.000 2.368 79 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 79 S C 1.991 176.469 174.600 -0.202 0.000 1.030 79 S CA 1.779 59.894 58.200 -0.142 0.000 0.999 79 S CB -0.373 62.766 63.200 -0.103 0.000 0.844 79 S HN 0.538 nan 8.310 nan 0.000 0.459 80 K N 0.738 120.948 120.400 -0.316 0.000 2.160 80 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 80 K C 2.318 178.616 176.600 -0.503 0.000 1.047 80 K CA 1.133 57.151 56.287 -0.449 0.000 0.930 80 K CB -0.534 31.567 32.500 -0.666 0.000 0.720 80 K HN 0.541 nan 8.250 nan 0.000 0.450 81 A N 1.688 124.196 122.820 -0.520 0.000 1.883 81 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 81 A C 1.963 179.523 177.584 -0.041 0.000 1.186 81 A CA 1.792 53.761 52.037 -0.113 0.000 0.624 81 A CB -0.728 18.270 19.000 -0.002 0.000 0.822 81 A HN 0.344 nan 8.150 nan 0.000 0.444 82 N N 0.053 118.696 118.700 -0.095 0.000 2.205 82 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 82 N C 0.768 176.228 175.510 -0.082 0.000 1.015 82 N CA 1.688 54.686 53.050 -0.087 0.000 0.862 82 N CB -0.278 38.152 38.487 -0.095 0.000 0.986 82 N HN 0.426 nan 8.380 nan 0.000 0.429 83 D N -0.071 120.285 120.400 -0.073 0.000 2.269 83 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 83 D C 0.364 176.670 176.300 0.009 0.000 0.963 83 D CA 0.472 54.450 54.000 -0.037 0.000 0.864 83 D CB 0.023 40.795 40.800 -0.047 0.000 0.936 83 D HN 0.234 nan 8.370 nan 0.000 0.505 84 A N -0.549 122.291 122.820 0.033 0.000 3.215 84 A HA 0.738 5.058 4.320 -0.000 0.000 0.320 84 A C 0.536 178.163 177.584 0.072 0.000 1.084 84 A CA 0.378 52.463 52.037 0.080 0.000 0.969 84 A CB 0.211 19.300 19.000 0.148 0.000 1.064 84 A HN 0.105 nan 8.150 nan 0.000 0.513 85 A N -0.726 122.122 122.820 0.047 0.000 3.550 85 A HA 0.465 4.785 4.320 -0.000 0.000 0.098 85 A C 1.278 178.840 177.584 -0.036 0.000 1.302 85 A CA 0.865 52.918 52.037 0.027 0.000 1.218 85 A CB -1.009 18.004 19.000 0.022 0.000 0.888 85 A HN 2.167 nan 8.150 nan 0.000 0.419 86 G N -0.573 108.135 108.800 -0.152 0.000 2.370 86 G HA2 0.246 4.206 3.960 -0.000 0.000 0.174 86 G HA3 0.246 4.206 3.960 -0.000 0.000 0.174 86 G C -0.423 174.345 174.900 -0.220 0.000 1.002 86 G CA 1.040 45.907 45.100 -0.387 0.000 0.730 86 G HN 1.076 nan 8.290 nan 0.000 0.497 87 D N -1.967 118.366 120.400 -0.111 0.000 2.768 87 D HA 0.513 5.153 4.640 -0.000 0.000 0.327 87 D C 0.969 177.245 176.300 -0.041 0.000 1.302 87 D CA 0.422 54.381 54.000 -0.070 0.000 0.897 87 D CB 1.087 41.860 40.800 -0.045 0.000 1.420 87 D HN 1.118 nan 8.370 nan 0.000 0.494 88 G N -0.428 108.356 108.800 -0.027 0.000 2.218 88 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 88 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 88 G C 1.102 175.995 174.900 -0.012 0.000 0.994 88 G CA 0.920 46.015 45.100 -0.008 0.000 0.637 88 G HN 0.503 nan 8.290 nan 0.000 0.505 89 T N 1.425 115.960 114.554 -0.031 0.000 2.624 89 T HA -0.256 4.094 4.350 -0.000 0.000 0.266 89 T C 2.468 177.154 174.700 -0.023 0.000 1.050 89 T CA 2.837 64.915 62.100 -0.038 0.000 1.163 89 T CB -0.685 68.156 68.868 -0.046 0.000 0.861 89 T HN 0.585 nan 8.240 nan 0.000 0.443 90 T N 1.485 116.029 114.554 -0.018 0.000 2.821 90 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 90 T C 2.310 177.008 174.700 -0.002 0.000 1.046 90 T CA 1.575 63.669 62.100 -0.010 0.000 1.139 90 T CB -0.686 68.177 68.868 -0.009 0.000 0.871 90 T HN 0.454 nan 8.240 nan 0.000 0.454 91 T N 2.356 116.911 114.554 0.001 0.000 2.674 91 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 91 T C 2.472 177.182 174.700 0.018 0.000 1.039 91 T CA 1.197 63.303 62.100 0.010 0.000 1.150 91 T CB -0.760 68.116 68.868 0.013 0.000 0.864 91 T HN 0.436 nan 8.240 nan 0.000 0.427 92 A N 1.709 124.541 122.820 0.021 0.000 1.881 92 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 92 A C 2.570 180.168 177.584 0.023 0.000 1.215 92 A CA 2.667 54.724 52.037 0.033 0.000 0.648 92 A CB -1.618 17.396 19.000 0.024 0.000 0.832 92 A HN 0.503 nan 8.150 nan 0.000 0.455 93 T N -0.500 114.059 114.554 0.008 0.000 2.684 93 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 93 T C 1.865 176.571 174.700 0.010 0.000 1.036 93 T CA 1.705 63.808 62.100 0.005 0.000 1.148 93 T CB -0.541 68.326 68.868 -0.002 0.000 0.863 93 T HN 0.179 nan 8.240 nan 0.000 0.436 94 V N 1.139 121.059 119.914 0.010 0.000 2.343 94 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 94 V C 2.418 178.520 176.094 0.014 0.000 1.051 94 V CA 1.442 63.748 62.300 0.010 0.000 1.036 94 V CB -0.571 31.257 31.823 0.009 0.000 0.654 94 V HN 0.418 nan 8.190 nan 0.000 0.451 95 L N -0.257 120.977 121.223 0.018 0.000 2.240 95 L HA -0.021 4.319 4.340 -0.000 0.000 0.211 95 L C 2.577 179.461 176.870 0.023 0.000 1.106 95 L CA 1.169 56.021 54.840 0.021 0.000 0.793 95 L CB -0.581 41.494 42.059 0.026 0.000 0.927 95 L HN 0.328 nan 8.230 nan 0.000 0.446 96 A N -0.664 122.171 122.820 0.025 0.000 1.897 96 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 96 A C 2.240 179.837 177.584 0.020 0.000 1.181 96 A CA 1.259 53.313 52.037 0.027 0.000 0.620 96 A CB -0.455 18.563 19.000 0.030 0.000 0.821 96 A HN 0.432 nan 8.150 nan 0.000 0.443 97 Q N -0.381 119.429 119.800 0.016 0.000 2.181 97 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 97 Q C 2.071 178.079 176.000 0.013 0.000 0.980 97 Q CA 1.651 57.462 55.803 0.013 0.000 0.862 97 Q CB -0.286 28.459 28.738 0.011 0.000 0.905 97 Q HN 0.627 nan 8.270 nan 0.000 0.429 98 A N 0.213 123.041 122.820 0.014 0.000 1.930 98 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 98 A C 1.878 179.469 177.584 0.013 0.000 1.176 98 A CA 0.936 52.980 52.037 0.012 0.000 0.632 98 A CB -0.336 18.672 19.000 0.013 0.000 0.819 98 A HN 0.424 nan 8.150 nan 0.000 0.445 99 I N -0.254 120.325 120.570 0.015 0.000 2.235 99 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 99 I C 2.225 178.351 176.117 0.014 0.000 1.085 99 I CA 1.078 62.387 61.300 0.014 0.000 1.378 99 I CB -0.425 37.585 38.000 0.017 0.000 1.076 99 I HN 0.224 nan 8.210 nan 0.000 0.415 100 I N 0.565 121.144 120.570 0.015 0.000 2.194 100 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 100 I C 2.620 178.744 176.117 0.012 0.000 1.093 100 I CA 1.612 62.921 61.300 0.015 0.000 1.355 100 I CB -0.819 37.191 38.000 0.017 0.000 1.046 100 I HN 0.265 nan 8.210 nan 0.000 0.413 101 T N 0.116 114.677 114.554 0.011 0.000 2.699 101 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 101 T C 1.822 176.526 174.700 0.008 0.000 1.036 101 T CA 1.456 63.561 62.100 0.009 0.000 1.147 101 T CB -0.093 68.780 68.868 0.008 0.000 0.862 101 T HN 0.317 nan 8.240 nan 0.000 0.446 102 E N -0.173 120.032 120.200 0.008 0.000 2.216 102 E HA 0.148 4.498 4.350 -0.000 0.000 0.192 102 E C 2.408 179.012 176.600 0.007 0.000 0.973 102 E CA 0.550 56.954 56.400 0.007 0.000 0.851 102 E CB -0.566 29.138 29.700 0.007 0.000 0.804 102 E HN 0.510 nan 8.360 nan 0.000 0.477 103 G N 1.772 110.577 108.800 0.009 0.000 2.484 103 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 103 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 103 G C 1.515 176.420 174.900 0.008 0.000 1.219 103 G CA 0.460 45.565 45.100 0.009 0.000 0.791 103 G HN 0.156 nan 8.290 nan 0.000 0.550 104 L N 1.034 122.262 121.223 0.009 0.000 2.129 104 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 104 L C 2.672 179.545 176.870 0.006 0.000 1.087 104 L CA 2.003 56.848 54.840 0.008 0.000 0.757 104 L CB -0.558 41.506 42.059 0.008 0.000 0.896 104 L HN 0.345 nan 8.230 nan 0.000 0.434 105 K N -1.041 119.363 120.400 0.005 0.000 2.155 105 K HA -0.083 4.236 4.320 -0.000 0.000 0.203 105 K C 2.040 178.642 176.600 0.004 0.000 1.052 105 K CA 0.986 57.275 56.287 0.004 0.000 0.948 105 K CB 0.019 32.521 32.500 0.004 0.000 0.728 105 K HN 0.251 nan 8.250 nan 0.000 0.448 106 A N 1.232 124.055 122.820 0.004 0.000 1.877 106 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 106 A C 2.254 179.841 177.584 0.004 0.000 1.186 106 A CA 1.848 53.887 52.037 0.004 0.000 0.620 106 A CB -1.031 17.972 19.000 0.005 0.000 0.822 106 A HN 0.310 nan 8.150 nan 0.000 0.443 107 V N -1.351 118.566 119.914 0.005 0.000 2.407 107 V HA -0.040 4.079 4.120 -0.000 0.000 0.248 107 V C 2.342 178.438 176.094 0.004 0.000 1.055 107 V CA 2.292 64.596 62.300 0.006 0.000 1.049 107 V CB -0.972 30.855 31.823 0.008 0.000 0.662 107 V HN 0.587 nan 8.190 nan 0.000 0.455 108 A N -0.487 122.335 122.820 0.003 0.000 2.235 108 A HA 0.527 4.847 4.320 -0.000 0.000 0.208 108 A C 2.193 179.777 177.584 0.001 0.000 1.172 108 A CA 1.251 53.289 52.037 0.002 0.000 0.786 108 A CB -0.605 18.395 19.000 0.001 0.000 0.804 108 A HN 1.046 nan 8.150 nan 0.000 0.479 109 A N -1.817 121.004 122.820 0.001 0.000 2.169 109 A HA 0.470 4.790 4.320 -0.000 0.000 0.210 109 A C 1.454 179.038 177.584 0.000 0.000 1.168 109 A CA 1.011 53.048 52.037 0.001 0.000 0.813 109 A CB -0.173 18.828 19.000 0.001 0.000 0.861 109 A HN 1.718 nan 8.150 nan 0.000 0.481 110 G N -0.905 107.895 108.800 0.001 0.000 2.245 110 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.130 110 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.130 110 G C -0.215 174.686 174.900 0.001 0.000 1.040 110 G CA 0.036 45.136 45.100 0.000 0.000 0.713 110 G HN 0.272 nan 8.290 nan 0.000 0.488 111 M N 0.065 119.666 119.600 0.002 0.000 2.724 111 M HA 0.425 4.905 4.480 -0.000 0.000 0.310 111 M C 0.123 176.425 176.300 0.003 0.000 1.217 111 M CA -1.018 54.283 55.300 0.002 0.000 0.894 111 M CB 1.466 34.068 32.600 0.003 0.000 1.719 111 M HN 0.103 nan 8.290 nan 0.000 0.479 112 N N 1.924 120.626 118.700 0.003 0.000 2.420 112 N HA 0.162 4.902 4.740 -0.000 0.000 0.262 112 N C -2.186 173.327 175.510 0.005 0.000 1.144 112 N CA -1.330 51.722 53.050 0.004 0.000 0.952 112 N CB 1.240 39.729 38.487 0.003 0.000 1.081 112 N HN 0.255 nan 8.380 nan 0.000 0.480 113 P HA -0.085 nan 4.420 nan 0.000 0.218 113 P C 1.266 178.571 177.300 0.009 0.000 1.148 113 P CA 1.083 64.189 63.100 0.009 0.000 0.822 113 P CB 0.273 31.980 31.700 0.012 0.000 0.784 114 M N -1.106 118.499 119.600 0.008 0.000 2.349 114 M HA -0.064 4.416 4.480 -0.000 0.000 0.266 114 M C 1.266 177.569 176.300 0.006 0.000 1.076 114 M CA 1.525 56.829 55.300 0.007 0.000 1.126 114 M CB -0.586 32.018 32.600 0.007 0.000 1.392 114 M HN -0.197 nan 8.290 nan 0.000 0.440 115 D N -0.517 119.886 120.400 0.005 0.000 2.162 115 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 115 D C 2.004 178.307 176.300 0.005 0.000 0.964 115 D CA 1.068 55.071 54.000 0.004 0.000 0.847 115 D CB -0.142 40.660 40.800 0.003 0.000 0.988 115 D HN 0.322 nan 8.370 nan 0.000 0.480 116 L N 1.062 122.288 121.223 0.006 0.000 2.081 116 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 116 L C 2.552 179.426 176.870 0.007 0.000 1.080 116 L CA 1.287 56.131 54.840 0.006 0.000 0.754 116 L CB -0.244 41.819 42.059 0.007 0.000 0.893 116 L HN -0.016 nan 8.230 nan 0.000 0.433 117 K N 0.106 120.510 120.400 0.007 0.000 2.007 117 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 117 K C 2.315 178.918 176.600 0.005 0.000 1.047 117 K CA 1.080 57.372 56.287 0.007 0.000 0.937 117 K CB -0.045 32.460 32.500 0.009 0.000 0.718 117 K HN 0.020 nan 8.250 nan 0.000 0.438 118 R N 0.005 120.507 120.500 0.004 0.000 2.112 118 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 118 R C 2.285 178.586 176.300 0.002 0.000 1.137 118 R CA 2.049 58.151 56.100 0.002 0.000 0.944 118 R CB -0.860 29.442 30.300 0.002 0.000 0.857 118 R HN 0.472 nan 8.270 nan 0.000 0.435 119 G N 0.921 109.722 108.800 0.003 0.000 2.628 119 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 119 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 119 G C 1.432 176.334 174.900 0.003 0.000 1.240 119 G CA 1.368 46.470 45.100 0.003 0.000 0.792 119 G HN 0.339 nan 8.290 nan 0.000 0.593 120 I N 1.337 121.910 120.570 0.004 0.000 2.161 120 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 120 I C 2.400 178.518 176.117 0.002 0.000 1.048 120 I CA 1.994 63.297 61.300 0.004 0.000 1.314 120 I CB -0.179 37.825 38.000 0.006 0.000 1.014 120 I HN 0.193 nan 8.210 nan 0.000 0.418 121 D N 0.117 120.517 120.400 0.000 0.000 2.123 121 D HA -0.177 4.463 4.640 -0.000 0.000 0.200 121 D C 2.054 178.351 176.300 -0.005 0.000 0.976 121 D CA 1.018 55.016 54.000 -0.004 0.000 0.831 121 D CB -0.286 40.511 40.800 -0.005 0.000 0.974 121 D HN 0.371 nan 8.370 nan 0.000 0.469 122 K N 1.014 121.412 120.400 -0.002 0.000 2.032 122 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 122 K C 2.089 178.688 176.600 -0.001 0.000 1.048 122 K CA 1.316 57.602 56.287 -0.002 0.000 0.927 122 K CB -0.026 32.474 32.500 -0.001 0.000 0.712 122 K HN 0.007 nan 8.250 nan 0.000 0.441 123 A N 0.621 123.442 122.820 0.000 0.000 1.865 123 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 123 A C 2.244 179.828 177.584 0.000 0.000 1.191 123 A CA 1.901 53.939 52.037 0.002 0.000 0.623 123 A CB -0.815 18.187 19.000 0.004 0.000 0.826 123 A HN 0.180 nan 8.150 nan 0.000 0.444 124 V N -0.239 119.673 119.914 -0.002 0.000 2.392 124 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 124 V C 2.707 178.795 176.094 -0.009 0.000 1.059 124 V CA 2.491 64.787 62.300 -0.006 0.000 1.051 124 V CB -1.410 30.407 31.823 -0.011 0.000 0.658 124 V HN 0.616 nan 8.190 nan 0.000 0.455 125 T N 0.263 114.811 114.554 -0.010 0.000 2.708 125 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 125 T C 2.053 176.749 174.700 -0.006 0.000 1.037 125 T CA 1.776 63.869 62.100 -0.011 0.000 1.146 125 T CB -0.383 68.480 68.868 -0.009 0.000 0.865 125 T HN 0.599 nan 8.240 nan 0.000 0.435 126 A N 1.297 124.115 122.820 -0.003 0.000 1.873 126 A HA 0.249 4.569 4.320 -0.000 0.000 0.215 126 A C 2.647 180.232 177.584 0.001 0.000 1.186 126 A CA 1.724 53.761 52.037 -0.000 0.000 0.616 126 A CB -1.150 17.851 19.000 0.001 0.000 0.823 126 A HN 0.490 nan 8.150 nan 0.000 0.442 127 A N -0.486 122.335 122.820 0.002 0.000 1.902 127 A HA -0.031 4.288 4.320 -0.000 0.000 0.217 127 A C 2.202 179.788 177.584 0.002 0.000 1.181 127 A CA 1.858 53.898 52.037 0.004 0.000 0.623 127 A CB -0.971 18.032 19.000 0.005 0.000 0.818 127 A HN 0.413 nan 8.150 nan 0.000 0.443 128 V N 0.178 120.090 119.914 -0.003 0.000 2.407 128 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 128 V C 2.576 178.669 176.094 -0.002 0.000 1.055 128 V CA 2.085 64.382 62.300 -0.005 0.000 1.049 128 V CB -0.743 31.072 31.823 -0.014 0.000 0.662 128 V HN 0.479 nan 8.190 nan 0.000 0.455 129 E N 0.190 120.389 120.200 -0.001 0.000 2.012 129 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 129 E C 2.291 178.894 176.600 0.005 0.000 1.007 129 E CA 1.240 57.641 56.400 0.001 0.000 0.816 129 E CB -0.533 29.168 29.700 0.001 0.000 0.762 129 E HN 0.551 nan 8.360 nan 0.000 0.451 130 E N 0.358 120.561 120.200 0.006 0.000 2.147 130 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 130 E C 2.235 178.842 176.600 0.012 0.000 1.005 130 E CA 0.652 57.058 56.400 0.010 0.000 0.810 130 E CB -0.304 29.402 29.700 0.011 0.000 0.736 130 E HN 0.129 nan 8.360 nan 0.000 0.460 131 L N 1.160 122.389 121.223 0.010 0.000 2.056 131 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 131 L C 2.178 179.055 176.870 0.011 0.000 1.078 131 L CA 1.615 56.462 54.840 0.012 0.000 0.749 131 L CB -0.162 41.903 42.059 0.009 0.000 0.901 131 L HN -0.033 nan 8.230 nan 0.000 0.433 132 K N -0.993 119.412 120.400 0.008 0.000 2.280 132 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 132 K C 1.993 178.599 176.600 0.010 0.000 1.047 132 K CA 1.006 57.298 56.287 0.008 0.000 0.942 132 K CB -0.206 32.297 32.500 0.006 0.000 0.739 132 K HN 0.382 nan 8.250 nan 0.000 0.457 133 A N 1.367 124.193 122.820 0.010 0.000 1.874 133 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 133 A C 2.060 179.652 177.584 0.015 0.000 1.189 133 A CA 0.853 52.897 52.037 0.012 0.000 0.615 133 A CB -0.368 18.639 19.000 0.011 0.000 0.830 133 A HN 0.252 nan 8.150 nan 0.000 0.443 134 L N 0.169 121.402 121.223 0.017 0.000 2.291 134 L HA 0.098 4.438 4.340 -0.000 0.000 0.214 134 L C 1.371 178.253 176.870 0.021 0.000 1.120 134 L CA 1.258 56.111 54.840 0.021 0.000 0.799 134 L CB -0.488 41.586 42.059 0.025 0.000 0.925 134 L HN 0.275 nan 8.230 nan 0.000 0.446 135 S N -0.459 115.252 115.700 0.018 0.000 2.552 135 S HA 0.182 4.652 4.470 -0.000 0.000 0.289 135 S C -0.126 174.483 174.600 0.016 0.000 1.304 135 S CA -0.521 57.689 58.200 0.017 0.000 1.063 135 S CB 0.280 63.489 63.200 0.014 0.000 0.848 135 S HN 0.103 nan 8.310 nan 0.000 0.499 136 V N 8.229 128.153 119.914 0.016 0.000 2.370 136 V HA 0.390 4.510 4.120 -0.000 0.000 0.283 136 V C -1.965 174.137 176.094 0.014 0.000 1.023 136 V CA -1.830 60.479 62.300 0.015 0.000 0.857 136 V CB 1.236 33.069 31.823 0.017 0.000 0.985 136 V HN 0.811 nan 8.190 nan 0.000 0.443 137 P HA 0.088 nan 4.420 nan 0.000 0.269 137 P C -0.612 176.695 177.300 0.011 0.000 1.211 137 P CA -0.096 63.011 63.100 0.011 0.000 0.781 137 P CB 0.348 32.053 31.700 0.010 0.000 0.877 138 C N 1.455 120.762 119.300 0.011 0.000 3.027 138 C HA 0.578 5.038 4.460 -0.000 0.000 0.350 138 C C 0.958 175.954 174.990 0.009 0.000 1.042 138 C CA 0.441 59.465 59.018 0.010 0.000 1.350 138 C CB -0.511 27.236 27.740 0.011 0.000 1.809 138 C HN 0.638 nan 8.230 nan 0.000 0.513 139 S N 2.906 118.610 115.700 0.008 0.000 2.930 139 S HA 0.218 4.688 4.470 -0.000 0.000 0.253 139 S C 0.265 174.868 174.600 0.005 0.000 1.083 139 S CA 0.686 58.890 58.200 0.007 0.000 0.836 139 S CB -0.092 63.112 63.200 0.007 0.000 0.814 139 S HN 0.941 nan 8.310 nan 0.000 0.467 140 D N 1.256 121.659 120.400 0.005 0.000 2.354 140 D HA 0.344 4.983 4.640 -0.000 0.000 0.247 140 D C 0.882 177.185 176.300 0.004 0.000 1.138 140 D CA -0.166 53.836 54.000 0.004 0.000 0.958 140 D CB 0.979 41.782 40.800 0.004 0.000 1.144 140 D HN 0.097 nan 8.370 nan 0.000 0.458 141 S N -0.027 115.674 115.700 0.003 0.000 2.383 141 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 141 S C 1.604 176.206 174.600 0.003 0.000 1.030 141 S CA 1.418 59.620 58.200 0.002 0.000 1.002 141 S CB -0.287 62.913 63.200 0.001 0.000 0.829 141 S HN 0.604 nan 8.310 nan 0.000 0.467 142 K N 0.949 121.351 120.400 0.003 0.000 2.032 142 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 142 K C 2.095 178.698 176.600 0.004 0.000 1.048 142 K CA 1.423 57.712 56.287 0.004 0.000 0.927 142 K CB -0.333 32.169 32.500 0.004 0.000 0.712 142 K HN 0.322 nan 8.250 nan 0.000 0.441 143 A N 0.775 123.598 122.820 0.005 0.000 1.898 143 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 143 A C 1.939 179.527 177.584 0.006 0.000 1.183 143 A CA 0.925 52.966 52.037 0.006 0.000 0.622 143 A CB -0.417 18.587 19.000 0.007 0.000 0.824 143 A HN 0.223 nan 8.150 nan 0.000 0.444 144 I N 0.514 121.087 120.570 0.006 0.000 2.069 144 I HA -0.311 3.859 4.170 -0.000 0.000 0.237 144 I C 3.002 179.122 176.117 0.005 0.000 1.053 144 I CA 1.641 62.945 61.300 0.006 0.000 1.311 144 I CB -1.718 36.284 38.000 0.004 0.000 1.030 144 I HN 0.359 nan 8.210 nan 0.000 0.398 145 A N -0.065 122.758 122.820 0.004 0.000 1.927 145 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 145 A C 2.361 179.947 177.584 0.004 0.000 1.185 145 A CA 2.276 54.314 52.037 0.003 0.000 0.639 145 A CB -0.912 18.090 19.000 0.002 0.000 0.820 145 A HN 0.645 nan 8.150 nan 0.000 0.451 146 Q N -0.518 119.284 119.800 0.004 0.000 2.050 146 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 146 Q C 2.059 178.062 176.000 0.005 0.000 0.980 146 Q CA 2.117 57.923 55.803 0.004 0.000 0.840 146 Q CB -0.245 28.497 28.738 0.005 0.000 0.898 146 Q HN 0.403 nan 8.270 nan 0.000 0.424 147 V N 0.466 120.384 119.914 0.007 0.000 2.358 147 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 147 V C 2.311 178.410 176.094 0.009 0.000 1.047 147 V CA 1.906 64.211 62.300 0.009 0.000 1.035 147 V CB -1.045 30.784 31.823 0.011 0.000 0.658 147 V HN 0.668 nan 8.190 nan 0.000 0.452 148 G N 0.086 108.891 108.800 0.009 0.000 2.529 148 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.219 148 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.219 148 G C 1.783 176.687 174.900 0.006 0.000 1.177 148 G CA 2.059 47.164 45.100 0.009 0.000 0.773 148 G HN 0.582 nan 8.290 nan 0.000 0.573 149 T N -0.666 113.890 114.554 0.004 0.000 2.821 149 T HA 0.039 4.389 4.350 -0.000 0.000 0.267 149 T C 2.411 177.112 174.700 0.001 0.000 1.046 149 T CA 1.123 63.224 62.100 0.002 0.000 1.139 149 T CB -0.226 68.643 68.868 0.001 0.000 0.871 149 T HN 0.182 nan 8.240 nan 0.000 0.454 150 I N 1.263 121.834 120.570 0.002 0.000 2.394 150 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 150 I C 2.908 179.024 176.117 -0.001 0.000 1.136 150 I CA 0.927 62.226 61.300 -0.001 0.000 1.425 150 I CB -0.214 37.785 38.000 -0.001 0.000 1.079 150 I HN 0.276 nan 8.210 nan 0.000 0.425 151 S N -0.131 115.572 115.700 0.004 0.000 2.425 151 S HA 0.094 4.564 4.470 -0.000 0.000 0.225 151 S C 1.918 176.522 174.600 0.006 0.000 1.024 151 S CA 0.862 59.066 58.200 0.007 0.000 0.951 151 S CB -0.050 63.159 63.200 0.015 0.000 0.796 151 S HN 0.446 nan 8.310 nan 0.000 0.498 152 A N 1.652 124.475 122.820 0.006 0.000 2.276 152 A HA 0.262 4.582 4.320 -0.000 0.000 0.212 152 A C 0.476 178.060 177.584 -0.000 0.000 1.230 152 A CA 0.037 52.077 52.037 0.005 0.000 0.844 152 A CB -0.861 18.142 19.000 0.005 0.000 0.860 152 A HN 0.754 nan 8.150 nan 0.000 0.486 153 N N 0.132 118.830 118.700 -0.003 0.000 2.411 153 N HA -0.187 4.553 4.740 -0.000 0.000 0.286 153 N C -0.186 175.320 175.510 -0.007 0.000 1.382 153 N CA 0.355 53.401 53.050 -0.007 0.000 0.630 153 N CB -1.051 37.431 38.487 -0.008 0.000 0.904 153 N HN 0.402 nan 8.380 nan 0.000 0.516 154 S N 1.143 116.838 115.700 -0.007 0.000 3.294 154 S HA -0.217 4.253 4.470 -0.000 0.000 0.361 154 S C -0.275 174.322 174.600 -0.004 0.000 0.935 154 S CA 1.236 59.432 58.200 -0.006 0.000 1.263 154 S CB -0.594 62.601 63.200 -0.008 0.000 0.891 154 S HN 0.672 nan 8.310 nan 0.000 0.487 155 D N 0.352 120.750 120.400 -0.003 0.000 2.458 155 D HA 0.302 4.942 4.640 -0.000 0.000 0.258 155 D C 0.976 177.276 176.300 -0.001 0.000 1.134 155 D CA -0.589 53.410 54.000 -0.002 0.000 0.915 155 D CB 0.469 41.268 40.800 -0.001 0.000 1.028 155 D HN 0.379 nan 8.370 nan 0.000 0.508 156 E N 0.251 120.450 120.200 -0.001 0.000 2.114 156 E HA -0.259 4.091 4.350 -0.000 0.000 0.199 156 E C 1.774 178.373 176.600 -0.001 0.000 1.008 156 E CA 2.017 58.417 56.400 -0.001 0.000 0.810 156 E CB 0.218 29.917 29.700 -0.001 0.000 0.739 156 E HN 0.596 nan 8.360 nan 0.000 0.456 157 T N -1.395 113.159 114.554 -0.001 0.000 2.849 157 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 157 T C 1.921 176.620 174.700 -0.001 0.000 1.066 157 T CA 1.309 63.409 62.100 -0.001 0.000 1.130 157 T CB -0.332 68.535 68.868 -0.001 0.000 0.864 157 T HN -0.023 nan 8.240 nan 0.000 0.481 158 V N 1.775 121.689 119.914 -0.000 0.000 2.255 158 V HA 0.109 4.229 4.120 -0.000 0.000 0.243 158 V C 3.174 179.269 176.094 0.000 0.000 1.038 158 V CA 1.709 64.009 62.300 0.000 0.000 1.008 158 V CB -1.547 30.277 31.823 0.002 0.000 0.645 158 V HN 0.637 nan 8.190 nan 0.000 0.449 159 G N -0.335 108.466 108.800 0.001 0.000 2.513 159 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.219 159 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.219 159 G C 1.644 176.545 174.900 0.000 0.000 1.160 159 G CA 1.418 46.518 45.100 0.001 0.000 0.767 159 G HN 0.453 nan 8.290 nan 0.000 0.571 160 K N -0.641 119.759 120.400 -0.000 0.000 2.034 160 K HA -0.145 4.175 4.320 -0.000 0.000 0.214 160 K C 2.519 179.118 176.600 -0.002 0.000 1.051 160 K CA 1.411 57.697 56.287 -0.001 0.000 0.931 160 K CB -0.260 32.239 32.500 -0.001 0.000 0.715 160 K HN 0.227 nan 8.250 nan 0.000 0.446 161 L N 1.180 122.401 121.223 -0.003 0.000 1.994 161 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 161 L C 2.276 179.142 176.870 -0.005 0.000 1.071 161 L CA 1.468 56.305 54.840 -0.004 0.000 0.745 161 L CB -0.683 41.373 42.059 -0.005 0.000 0.892 161 L HN 0.248 nan 8.230 nan 0.000 0.431 162 I N -0.628 119.939 120.570 -0.005 0.000 2.118 162 I HA -0.380 3.790 4.170 -0.000 0.000 0.241 162 I C 2.532 178.646 176.117 -0.005 0.000 1.070 162 I CA 1.505 62.802 61.300 -0.006 0.000 1.327 162 I CB -0.503 37.494 38.000 -0.004 0.000 1.034 162 I HN 0.264 nan 8.210 nan 0.000 0.405 163 A N -0.162 122.656 122.820 -0.003 0.000 1.978 163 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 163 A C 2.196 179.778 177.584 -0.003 0.000 1.170 163 A CA 1.779 53.814 52.037 -0.002 0.000 0.636 163 A CB -0.548 18.452 19.000 -0.000 0.000 0.810 163 A HN 0.488 nan 8.150 nan 0.000 0.448 164 E N -0.708 119.490 120.200 -0.004 0.000 2.158 164 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 164 E C 2.237 178.834 176.600 -0.006 0.000 0.982 164 E CA 0.656 57.053 56.400 -0.004 0.000 0.823 164 E CB -0.145 29.552 29.700 -0.004 0.000 0.766 164 E HN 0.629 nan 8.360 nan 0.000 0.468 165 A N 0.818 123.634 122.820 -0.007 0.000 1.897 165 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 165 A C 2.099 179.678 177.584 -0.009 0.000 1.181 165 A CA 0.922 52.954 52.037 -0.009 0.000 0.620 165 A CB -0.285 18.708 19.000 -0.012 0.000 0.821 165 A HN 0.124 nan 8.150 nan 0.000 0.443 166 M N -0.886 118.710 119.600 -0.008 0.000 2.229 166 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 166 M C 1.674 177.971 176.300 -0.005 0.000 1.063 166 M CA 1.720 57.015 55.300 -0.007 0.000 1.114 166 M CB -0.623 31.974 32.600 -0.006 0.000 1.387 166 M HN 0.385 nan 8.290 nan 0.000 0.420 167 D N 0.843 121.240 120.400 -0.004 0.000 2.149 167 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 167 D C 2.022 178.320 176.300 -0.004 0.000 0.990 167 D CA 1.221 55.219 54.000 -0.003 0.000 0.839 167 D CB 0.245 41.043 40.800 -0.003 0.000 0.948 167 D HN 0.206 nan 8.370 nan 0.000 0.460 168 K N -0.752 119.645 120.400 -0.005 0.000 2.202 168 K HA 0.086 4.406 4.320 -0.000 0.000 0.201 168 K C 1.281 177.878 176.600 -0.005 0.000 1.051 168 K CA 0.329 56.613 56.287 -0.005 0.000 0.977 168 K CB 0.523 33.020 32.500 -0.006 0.000 0.792 168 K HN 0.038 nan 8.250 nan 0.000 0.469 169 V N 0.502 120.412 119.914 -0.006 0.000 3.427 169 V HA 0.238 4.358 4.120 -0.000 0.000 0.305 169 V C -0.218 175.872 176.094 -0.006 0.000 1.412 169 V CA 0.592 62.888 62.300 -0.006 0.000 1.086 169 V CB 0.056 31.874 31.823 -0.008 0.000 0.964 169 V HN 0.551 nan 8.190 nan 0.000 0.439 170 G N 0.851 109.648 108.800 -0.005 0.000 2.712 170 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 170 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 170 G C 0.103 175.000 174.900 -0.005 0.000 1.321 170 G CA 0.039 45.136 45.100 -0.004 0.000 0.813 170 G HN 0.335 nan 8.290 nan 0.000 0.599 171 K N 0.089 120.488 120.400 -0.003 0.000 2.362 171 K HA -0.049 4.271 4.320 -0.000 0.000 0.200 171 K C 2.058 178.656 176.600 -0.004 0.000 1.046 171 K CA 1.639 57.924 56.287 -0.003 0.000 0.952 171 K CB 0.051 32.551 32.500 0.000 0.000 0.753 171 K HN 0.416 nan 8.250 nan 0.000 0.466 172 E N 0.558 120.756 120.200 -0.003 0.000 2.122 172 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 172 E C 0.847 177.443 176.600 -0.006 0.000 0.977 172 E CA 0.349 56.747 56.400 -0.003 0.000 0.820 172 E CB -0.335 29.364 29.700 -0.001 0.000 0.770 172 E HN 0.307 nan 8.360 nan 0.000 0.462 173 G N 0.399 109.195 108.800 -0.007 0.000 2.647 173 G HA2 0.113 4.073 3.960 -0.000 0.000 0.234 173 G HA3 0.113 4.073 3.960 -0.000 0.000 0.234 173 G C -0.104 174.787 174.900 -0.014 0.000 1.252 173 G CA -0.328 44.767 45.100 -0.008 0.000 0.846 173 G HN 0.035 nan 8.290 nan 0.000 0.589 174 V N 1.926 121.832 119.914 -0.013 0.000 2.508 174 V HA 0.275 4.395 4.120 -0.000 0.000 0.281 174 V C 0.473 176.551 176.094 -0.026 0.000 1.041 174 V CA 0.181 62.469 62.300 -0.021 0.000 1.016 174 V CB 0.410 32.225 31.823 -0.014 0.000 0.984 174 V HN 0.471 nan 8.190 nan 0.000 0.478 175 I N 5.001 125.548 120.570 -0.038 0.000 2.439 175 I HA 0.500 4.670 4.170 -0.000 0.000 0.285 175 I C 0.306 176.394 176.117 -0.049 0.000 1.021 175 I CA -0.221 61.056 61.300 -0.039 0.000 1.091 175 I CB 2.111 40.087 38.000 -0.040 0.000 1.242 175 I HN 0.762 nan 8.210 nan 0.000 0.439 176 T N 2.527 117.058 114.554 -0.038 0.000 2.927 176 T HA 0.812 5.162 4.350 -0.000 0.000 0.286 176 T C -0.503 174.179 174.700 -0.030 0.000 1.040 176 T CA -0.836 61.240 62.100 -0.039 0.000 1.010 176 T CB 2.193 71.041 68.868 -0.032 0.000 1.177 176 T HN 0.175 nan 8.240 nan 0.000 0.546 177 V N 1.057 120.956 119.914 -0.026 0.000 2.531 177 V HA 0.532 4.652 4.120 -0.000 0.000 0.301 177 V C -0.243 175.843 176.094 -0.013 0.000 1.034 177 V CA -0.777 61.513 62.300 -0.018 0.000 0.865 177 V CB 1.356 33.170 31.823 -0.015 0.000 0.995 177 V HN 0.971 nan 8.190 nan 0.000 0.424 178 E N 1.574 121.767 120.200 -0.011 0.000 2.264 178 E HA 0.433 4.783 4.350 -0.000 0.000 0.260 178 E C -1.339 175.257 176.600 -0.007 0.000 0.961 178 E CA -1.011 55.383 56.400 -0.009 0.000 0.834 178 E CB 1.549 31.243 29.700 -0.011 0.000 1.230 178 E HN 0.658 nan 8.360 nan 0.000 0.412 179 D N 0.693 121.089 120.400 -0.006 0.000 2.371 179 D HA 0.213 4.853 4.640 -0.000 0.000 0.256 179 D C -0.032 176.264 176.300 -0.006 0.000 1.193 179 D CA 0.267 54.264 54.000 -0.005 0.000 0.881 179 D CB 0.918 41.715 40.800 -0.004 0.000 1.143 179 D HN 0.434 nan 8.370 nan 0.000 0.473 180 G N 0.701 109.498 108.800 -0.005 0.000 2.569 180 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 180 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 180 G C 0.944 175.841 174.900 -0.005 0.000 1.216 180 G CA -0.332 44.764 45.100 -0.005 0.000 0.845 180 G HN 0.510 nan 8.290 nan 0.000 0.568 181 T N -1.517 113.034 114.554 -0.005 0.000 2.971 181 T HA 0.393 4.743 4.350 -0.000 0.000 0.252 181 T C 1.161 175.858 174.700 -0.004 0.000 1.022 181 T CA 0.603 62.700 62.100 -0.005 0.000 0.980 181 T CB 0.575 69.439 68.868 -0.006 0.000 1.044 181 T HN 0.764 nan 8.240 nan 0.000 0.501 182 G N 1.191 109.988 108.800 -0.004 0.000 3.008 182 G HA2 0.538 4.498 3.960 -0.000 0.000 0.181 182 G HA3 0.538 4.498 3.960 -0.000 0.000 0.181 182 G C 0.290 175.188 174.900 -0.003 0.000 1.309 182 G CA -0.369 44.729 45.100 -0.003 0.000 1.009 182 G HN 0.184 nan 8.290 nan 0.000 0.584 183 L N -0.805 120.417 121.223 -0.003 0.000 2.375 183 L HA 0.301 4.641 4.340 -0.000 0.000 0.215 183 L C 0.906 177.774 176.870 -0.003 0.000 1.108 183 L CA 0.702 55.540 54.840 -0.003 0.000 0.830 183 L CB -0.431 41.627 42.059 -0.002 0.000 0.959 183 L HN 0.253 nan 8.230 nan 0.000 0.457 184 Q N 1.682 121.480 119.800 -0.003 0.000 2.288 184 Q HA 0.160 4.500 4.340 -0.000 0.000 0.254 184 Q C -0.799 175.199 176.000 -0.004 0.000 0.932 184 Q CA -0.129 55.672 55.803 -0.003 0.000 0.902 184 Q CB 0.712 29.448 28.738 -0.003 0.000 1.203 184 Q HN 0.332 nan 8.270 nan 0.000 0.415 185 D N 2.253 122.651 120.400 -0.004 0.000 2.304 185 D HA 0.176 4.816 4.640 -0.000 0.000 0.250 185 D C -0.156 176.141 176.300 -0.005 0.000 1.107 185 D CA 0.139 54.137 54.000 -0.004 0.000 0.885 185 D CB 1.179 41.977 40.800 -0.004 0.000 1.192 185 D HN 0.369 nan 8.370 nan 0.000 0.436 186 E N 0.497 120.693 120.200 -0.005 0.000 2.299 186 E HA 0.636 4.986 4.350 -0.000 0.000 0.260 186 E C -0.669 175.927 176.600 -0.007 0.000 0.944 186 E CA -0.912 55.484 56.400 -0.006 0.000 0.815 186 E CB 2.437 32.133 29.700 -0.006 0.000 1.252 186 E HN 0.182 nan 8.360 nan 0.000 0.418 187 L N 2.159 123.378 121.223 -0.007 0.000 2.573 187 L HA 0.346 4.686 4.340 -0.000 0.000 0.260 187 L C -1.678 175.187 176.870 -0.008 0.000 0.997 187 L CA -0.448 54.387 54.840 -0.008 0.000 0.890 187 L CB 0.707 42.762 42.059 -0.007 0.000 1.179 187 L HN 0.534 nan 8.230 nan 0.000 0.439 188 D N 3.434 123.829 120.400 -0.008 0.000 2.277 188 D HA 0.505 5.145 4.640 -0.000 0.000 0.250 188 D C -0.356 175.939 176.300 -0.008 0.000 1.032 188 D CA -0.246 53.749 54.000 -0.008 0.000 0.947 188 D CB 2.878 43.673 40.800 -0.008 0.000 1.159 188 D HN 0.283 nan 8.370 nan 0.000 0.460 189 V N -1.276 118.633 119.914 -0.008 0.000 2.555 189 V HA 0.770 4.890 4.120 -0.000 0.000 0.302 189 V C -0.162 175.928 176.094 -0.007 0.000 1.038 189 V CA -0.742 61.554 62.300 -0.007 0.000 0.887 189 V CB 1.651 33.470 31.823 -0.006 0.000 0.991 189 V HN 0.340 nan 8.190 nan 0.000 0.434 190 V N 1.868 121.778 119.914 -0.007 0.000 3.147 190 V HA 0.508 4.628 4.120 -0.000 0.000 0.306 190 V C -0.639 175.453 176.094 -0.004 0.000 1.209 190 V CA -0.555 61.741 62.300 -0.006 0.000 1.023 190 V CB 2.509 34.327 31.823 -0.008 0.000 1.059 190 V HN 1.042 nan 8.190 nan 0.000 0.435 191 E N 3.310 123.508 120.200 -0.003 0.000 2.271 191 E HA 0.437 4.787 4.350 -0.000 0.000 0.255 191 E C 0.177 176.779 176.600 0.003 0.000 1.177 191 E CA 0.587 56.987 56.400 -0.001 0.000 0.946 191 E CB 0.619 30.318 29.700 -0.002 0.000 1.009 191 E HN 0.925 nan 8.360 nan 0.000 0.451 192 G N 1.672 110.477 108.800 0.008 0.000 2.663 192 G HA2 0.682 4.642 3.960 -0.000 0.000 0.299 192 G HA3 0.682 4.642 3.960 -0.000 0.000 0.299 192 G C -1.121 173.797 174.900 0.029 0.000 1.372 192 G CA -0.620 44.490 45.100 0.017 0.000 0.781 192 G HN 0.361 nan 8.290 nan 0.000 0.491 193 M N -0.199 119.430 119.600 0.049 0.000 2.694 193 M HA 0.480 4.960 4.480 -0.000 0.000 0.276 193 M C -2.384 173.986 176.300 0.117 0.000 1.167 193 M CA -0.612 54.736 55.300 0.081 0.000 0.849 193 M CB 2.442 35.101 32.600 0.097 0.000 1.705 193 M HN 0.754 nan 8.290 nan 0.000 0.504 194 Q N 3.230 123.112 119.800 0.137 0.000 2.309 194 Q HA 0.692 5.032 4.340 -0.000 0.000 0.273 194 Q C -2.275 173.846 176.000 0.201 0.000 1.040 194 Q CA -0.585 55.277 55.803 0.099 0.000 0.834 194 Q CB 2.467 31.200 28.738 -0.007 0.000 1.345 194 Q HN 0.600 nan 8.270 nan 0.000 0.414 195 F N -0.311 119.633 119.950 -0.009 0.000 2.626 195 F HA 0.496 5.023 4.527 -0.000 0.000 0.311 195 F C -0.626 175.170 175.800 -0.007 0.000 1.088 195 F CA -1.193 56.804 58.000 -0.006 0.000 0.949 195 F CB 1.112 40.110 39.000 -0.003 0.000 1.322 195 F HN 0.342 nan 8.300 nan 0.000 0.461 196 D N 2.898 123.388 120.400 0.150 0.000 2.767 196 D HA 0.130 4.770 4.640 -0.000 0.000 0.231 196 D C -0.271 176.053 176.300 0.040 0.000 1.105 196 D CA 0.320 54.343 54.000 0.039 0.000 1.024 196 D CB -0.048 40.790 40.800 0.063 0.000 1.123 196 D HN 0.269 nan 8.370 nan 0.000 0.470 197 R N 0.087 120.549 120.500 -0.063 0.000 2.628 197 R HA 0.551 4.891 4.340 -0.000 0.000 0.288 197 R C 0.283 176.493 176.300 -0.150 0.000 0.980 197 R CA -0.727 55.359 56.100 -0.024 0.000 0.891 197 R CB 2.305 32.706 30.300 0.168 0.000 1.188 197 R HN 0.136 nan 8.270 nan 0.000 0.450 198 G N 1.100 109.811 108.800 -0.149 0.000 2.552 198 G HA2 0.449 4.409 3.960 -0.000 0.000 0.324 198 G HA3 0.449 4.409 3.960 -0.000 0.000 0.324 198 G C -0.572 174.217 174.900 -0.184 0.000 1.217 198 G CA -0.586 44.341 45.100 -0.288 0.000 0.989 198 G HN 0.450 nan 8.290 nan 0.000 0.490 199 Y N -1.247 119.072 120.300 0.031 0.000 2.607 199 Y HA 0.229 4.778 4.550 -0.000 0.000 0.348 199 Y C 1.179 177.167 175.900 0.147 0.000 1.261 199 Y CA -0.800 57.355 58.100 0.092 0.000 1.480 199 Y CB 0.353 38.931 38.460 0.196 0.000 1.358 199 Y HN 0.187 nan 8.280 nan 0.000 0.630 200 L N 1.211 122.726 121.223 0.485 0.000 2.567 200 L HA 0.158 4.498 4.340 -0.000 0.000 0.225 200 L C 0.511 177.663 176.870 0.469 0.000 1.119 200 L CA 0.775 55.859 54.840 0.406 0.000 0.871 200 L CB -0.083 42.163 42.059 0.313 0.000 1.036 200 L HN 0.812 nan 8.230 nan 0.000 0.459 201 S N -1.190 114.862 115.700 0.587 0.000 2.563 201 S HA 0.337 4.807 4.470 -0.000 0.000 0.279 201 S C -2.523 171.967 174.600 -0.183 0.000 1.155 201 S CA -0.884 57.415 58.200 0.164 0.000 0.928 201 S CB 1.766 64.948 63.200 -0.030 0.000 1.107 201 S HN -0.241 nan 8.310 nan 0.000 0.462 202 P HA 0.035 nan 4.420 nan 0.000 0.249 202 P C -0.087 176.795 177.300 -0.698 0.000 1.227 202 P CA 0.743 63.416 63.100 -0.712 0.000 0.753 202 P CB -0.371 31.054 31.700 -0.459 0.000 0.966 203 Y N -2.860 117.146 120.300 -0.491 0.000 2.524 203 Y HA 0.158 4.708 4.550 -0.000 0.000 0.270 203 Y C 1.762 177.406 175.900 -0.427 0.000 1.094 203 Y CA 0.202 58.029 58.100 -0.455 0.000 1.276 203 Y CB -0.803 37.361 38.460 -0.493 0.000 1.130 203 Y HN -0.100 nan 8.280 nan 0.000 0.536 204 F N 0.270 120.195 119.950 -0.041 0.000 2.451 204 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 204 F C 0.876 176.628 175.800 -0.079 0.000 1.101 204 F CA -0.023 57.955 58.000 -0.038 0.000 1.436 204 F CB -1.032 37.959 39.000 -0.016 0.000 1.074 204 F HN -0.180 nan 8.300 nan 0.000 0.553 205 I N 2.983 123.526 120.570 -0.045 0.000 2.943 205 I HA -0.208 3.962 4.170 -0.000 0.000 0.296 205 I C 0.838 176.952 176.117 -0.006 0.000 1.220 205 I CA 0.364 61.626 61.300 -0.064 0.000 1.409 205 I CB 0.058 37.959 38.000 -0.165 0.000 1.374 205 I HN 0.259 nan 8.210 nan 0.000 0.545 206 N N 5.483 124.195 118.700 0.021 0.000 2.322 206 N HA 0.015 4.755 4.740 -0.000 0.000 0.181 206 N C -0.008 175.508 175.510 0.009 0.000 1.088 206 N CA 0.178 53.239 53.050 0.019 0.000 0.885 206 N CB 0.313 38.819 38.487 0.031 0.000 1.013 206 N HN 0.437 nan 8.380 nan 0.000 0.472 207 K N 1.342 121.748 120.400 0.010 0.000 2.499 207 K HA 0.268 4.588 4.320 -0.000 0.000 0.215 207 K C -2.053 174.550 176.600 0.005 0.000 1.041 207 K CA -1.790 54.502 56.287 0.008 0.000 1.031 207 K CB 1.947 34.456 32.500 0.014 0.000 1.479 207 K HN 0.029 nan 8.250 nan 0.000 0.518 208 P HA -0.153 nan 4.420 nan 0.000 0.226 208 P C 0.393 177.693 177.300 -0.000 0.000 1.146 208 P CA 1.021 64.115 63.100 -0.010 0.000 0.773 208 P CB 0.518 32.208 31.700 -0.017 0.000 0.772 209 E N 0.073 120.276 120.200 0.005 0.000 2.031 209 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 209 E C 1.808 178.418 176.600 0.016 0.000 0.994 209 E CA 1.913 58.318 56.400 0.008 0.000 0.800 209 E CB -1.193 28.512 29.700 0.008 0.000 0.752 209 E HN 0.242 nan 8.360 nan 0.000 0.447 210 T N -1.008 113.562 114.554 0.025 0.000 3.113 210 T HA 0.189 4.539 4.350 -0.000 0.000 0.256 210 T C 1.121 175.850 174.700 0.048 0.000 1.131 210 T CA 0.484 62.608 62.100 0.040 0.000 1.074 210 T CB 0.093 68.989 68.868 0.046 0.000 0.944 210 T HN 0.375 nan 8.240 nan 0.000 0.516 211 G N 1.534 110.356 108.800 0.036 0.000 2.323 211 G HA2 0.025 3.985 3.960 -0.000 0.000 0.292 211 G HA3 0.025 3.985 3.960 -0.000 0.000 0.292 211 G C 0.065 175.021 174.900 0.094 0.000 1.040 211 G CA 0.088 45.214 45.100 0.043 0.000 0.942 211 G HN 0.955 nan 8.290 nan 0.000 0.506 212 A N -1.547 121.320 122.820 0.077 0.000 2.530 212 A HA 0.934 5.254 4.320 -0.000 0.000 0.288 212 A C -0.382 177.250 177.584 0.079 0.000 1.172 212 A CA -0.310 51.797 52.037 0.117 0.000 0.733 212 A CB 1.989 21.046 19.000 0.094 0.000 1.320 212 A HN 1.213 nan 8.150 nan 0.000 0.419 213 V N 0.820 120.797 119.914 0.105 0.000 2.459 213 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 213 V C -0.180 175.944 176.094 0.051 0.000 1.029 213 V CA -0.334 62.013 62.300 0.078 0.000 0.874 213 V CB 1.404 33.291 31.823 0.108 0.000 0.985 213 V HN 0.899 nan 8.190 nan 0.000 0.438 214 E N 4.513 124.735 120.200 0.036 0.000 2.244 214 E HA 0.613 4.963 4.350 -0.000 0.000 0.260 214 E C -1.722 174.887 176.600 0.015 0.000 0.884 214 E CA -0.525 55.887 56.400 0.019 0.000 0.777 214 E CB 1.449 31.158 29.700 0.015 0.000 1.197 214 E HN 0.612 nan 8.360 nan 0.000 0.416 215 L N 3.325 124.552 121.223 0.007 0.000 2.346 215 L HA 0.527 4.867 4.340 -0.000 0.000 0.274 215 L C -0.190 176.673 176.870 -0.012 0.000 1.007 215 L CA -0.869 53.973 54.840 0.003 0.000 0.818 215 L CB 1.899 43.961 42.059 0.005 0.000 1.284 215 L HN 0.450 nan 8.230 nan 0.000 0.424 216 E N 1.314 121.504 120.200 -0.017 0.000 2.176 216 E HA 0.254 4.604 4.350 -0.000 0.000 0.267 216 E C -0.328 176.237 176.600 -0.059 0.000 0.893 216 E CA -0.509 55.872 56.400 -0.032 0.000 0.761 216 E CB 1.784 31.471 29.700 -0.023 0.000 1.133 216 E HN 0.628 nan 8.360 nan 0.000 0.409 217 S N 1.639 117.288 115.700 -0.086 0.000 3.614 217 S HA -0.116 4.354 4.470 -0.000 0.000 0.360 217 S C -2.264 172.186 174.600 -0.249 0.000 1.023 217 S CA 0.289 58.398 58.200 -0.152 0.000 1.114 217 S CB -1.058 62.057 63.200 -0.141 0.000 0.907 217 S HN 0.435 nan 8.310 nan 0.000 0.470 218 P HA 0.530 nan 4.420 nan 0.000 0.282 218 P C -0.043 177.120 177.300 -0.229 0.000 1.259 218 P CA -0.614 62.391 63.100 -0.160 0.000 0.826 218 P CB 0.447 32.128 31.700 -0.032 0.000 1.064 219 F N 0.434 120.387 119.950 0.004 0.000 2.371 219 F HA 0.419 4.946 4.527 -0.000 0.000 0.329 219 F C 0.913 176.715 175.800 0.004 0.000 1.107 219 F CA -0.295 57.708 58.000 0.004 0.000 1.137 219 F CB 0.503 39.505 39.000 0.002 0.000 1.214 219 F HN 0.032 nan 8.300 nan 0.000 0.536 220 I N 3.352 124.040 120.570 0.197 0.000 2.389 220 I HA 0.260 4.430 4.170 -0.000 0.000 0.288 220 I C -1.113 175.060 176.117 0.093 0.000 0.999 220 I CA -0.817 60.550 61.300 0.112 0.000 1.129 220 I CB 1.745 39.791 38.000 0.076 0.000 1.288 220 I HN 0.322 nan 8.210 nan 0.000 0.444 221 L N 8.245 129.507 121.223 0.065 0.000 2.265 221 L HA 0.503 4.843 4.340 -0.000 0.000 0.288 221 L C -1.093 175.793 176.870 0.026 0.000 1.058 221 L CA 0.094 54.957 54.840 0.038 0.000 0.809 221 L CB 0.642 42.716 42.059 0.025 0.000 1.179 221 L HN 0.470 nan 8.230 nan 0.000 0.429 222 L N 6.509 127.742 121.223 0.017 0.000 2.301 222 L HA 0.731 5.071 4.340 -0.000 0.000 0.278 222 L C -0.274 176.595 176.870 -0.001 0.000 1.022 222 L CA -0.385 54.458 54.840 0.004 0.000 0.854 222 L CB 1.242 43.299 42.059 -0.003 0.000 1.226 222 L HN 0.807 nan 8.230 nan 0.000 0.429 223 A N 1.734 124.554 122.820 0.000 0.000 2.319 223 A HA 0.465 4.785 4.320 -0.000 0.000 0.310 223 A C -0.887 176.697 177.584 0.000 0.000 1.152 223 A CA -0.518 51.519 52.037 0.001 0.000 0.783 223 A CB 1.138 20.142 19.000 0.006 0.000 1.184 223 A HN 0.620 nan 8.150 nan 0.000 0.474 224 D N 2.390 122.788 120.400 -0.002 0.000 2.500 224 D HA 0.464 5.104 4.640 -0.000 0.000 0.219 224 D C -0.172 176.132 176.300 0.006 0.000 1.137 224 D CA 0.235 54.235 54.000 -0.001 0.000 0.946 224 D CB -0.341 40.455 40.800 -0.007 0.000 1.022 224 D HN 0.648 nan 8.370 nan 0.000 0.518 225 K N 0.125 120.532 120.400 0.012 0.000 2.870 225 K HA 0.237 4.557 4.320 -0.000 0.000 0.290 225 K C -1.314 175.299 176.600 0.022 0.000 1.070 225 K CA -1.138 55.158 56.287 0.016 0.000 0.843 225 K CB 0.537 33.044 32.500 0.013 0.000 1.475 225 K HN -0.124 nan 8.250 nan 0.000 0.359 226 K N 1.462 121.877 120.400 0.024 0.000 2.322 226 K HA 0.315 4.635 4.320 -0.000 0.000 0.283 226 K C -0.491 176.125 176.600 0.027 0.000 1.042 226 K CA -0.252 56.053 56.287 0.029 0.000 0.958 226 K CB 0.530 33.048 32.500 0.030 0.000 0.984 226 K HN 0.365 nan 8.250 nan 0.000 0.473 227 I N 2.665 123.254 120.570 0.032 0.000 2.330 227 I HA 0.043 4.213 4.170 -0.000 0.000 0.286 227 I C 0.512 176.651 176.117 0.035 0.000 1.025 227 I CA 0.031 61.349 61.300 0.031 0.000 1.197 227 I CB 1.532 39.551 38.000 0.031 0.000 1.358 227 I HN 0.671 nan 8.210 nan 0.000 0.467 228 S N 3.534 119.252 115.700 0.030 0.000 2.748 228 S HA 0.185 4.655 4.470 -0.000 0.000 0.241 228 S C 0.746 175.362 174.600 0.027 0.000 1.064 228 S CA -0.092 58.126 58.200 0.030 0.000 0.892 228 S CB 0.249 63.465 63.200 0.026 0.000 0.810 228 S HN 0.587 nan 8.310 nan 0.000 0.555 229 N N 1.943 120.656 118.700 0.022 0.000 2.529 229 N HA 0.229 4.969 4.740 -0.000 0.000 0.278 229 N C 0.338 175.860 175.510 0.019 0.000 1.146 229 N CA -0.055 53.006 53.050 0.018 0.000 0.980 229 N CB 1.383 39.879 38.487 0.014 0.000 1.124 229 N HN 0.142 nan 8.380 nan 0.000 0.458 230 I N 2.259 122.840 120.570 0.018 0.000 2.876 230 I HA -0.076 4.093 4.170 -0.000 0.000 0.264 230 I C 1.812 177.937 176.117 0.012 0.000 1.204 230 I CA 0.482 61.793 61.300 0.018 0.000 1.485 230 I CB 0.130 38.142 38.000 0.020 0.000 1.103 230 I HN 0.443 nan 8.210 nan 0.000 0.446 231 R N 0.932 121.438 120.500 0.009 0.000 2.154 231 R HA -0.230 4.110 4.340 -0.000 0.000 0.248 231 R C 1.756 178.058 176.300 0.004 0.000 1.155 231 R CA 1.991 58.095 56.100 0.005 0.000 0.979 231 R CB -0.226 30.077 30.300 0.005 0.000 0.869 231 R HN 0.554 nan 8.270 nan 0.000 0.452 232 E N -0.443 119.760 120.200 0.006 0.000 2.285 232 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 232 E C 1.763 178.364 176.600 0.001 0.000 0.997 232 E CA 0.603 57.005 56.400 0.004 0.000 0.845 232 E CB 0.092 29.795 29.700 0.006 0.000 0.782 232 E HN 0.228 nan 8.360 nan 0.000 0.491 233 M N 0.379 119.982 119.600 0.004 0.000 2.248 233 M HA 0.027 4.507 4.480 -0.000 0.000 0.265 233 M C 2.308 178.605 176.300 -0.004 0.000 1.079 233 M CA 0.926 56.228 55.300 0.003 0.000 1.150 233 M CB -0.721 31.886 32.600 0.011 0.000 1.366 233 M HN 0.137 nan 8.290 nan 0.000 0.433 234 L N 0.750 121.972 121.223 -0.002 0.000 2.054 234 L HA -0.261 4.078 4.340 -0.000 0.000 0.220 234 L C -0.306 176.555 176.870 -0.014 0.000 1.081 234 L CA 1.921 56.757 54.840 -0.006 0.000 0.780 234 L CB -2.593 39.464 42.059 -0.004 0.000 0.893 234 L HN 0.198 nan 8.230 nan 0.000 0.438 235 P HA -0.125 nan 4.420 nan 0.000 0.216 235 P C 1.764 179.042 177.300 -0.037 0.000 1.150 235 P CA 1.522 64.607 63.100 -0.024 0.000 0.837 235 P CB 0.053 31.740 31.700 -0.022 0.000 0.786 236 V N 0.142 120.033 119.914 -0.039 0.000 2.379 236 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 236 V C 2.808 178.866 176.094 -0.061 0.000 1.035 236 V CA 0.972 63.237 62.300 -0.059 0.000 1.035 236 V CB -1.347 30.445 31.823 -0.050 0.000 0.673 236 V HN -0.038 nan 8.190 nan 0.000 0.457 237 L N -0.013 121.190 121.223 -0.034 0.000 2.263 237 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 237 L C 2.408 179.264 176.870 -0.024 0.000 1.111 237 L CA 1.681 56.508 54.840 -0.021 0.000 0.773 237 L CB -0.271 41.786 42.059 -0.002 0.000 0.906 237 L HN 0.487 nan 8.230 nan 0.000 0.439 238 E N -1.302 118.880 120.200 -0.031 0.000 2.340 238 E HA 0.039 4.388 4.350 -0.000 0.000 0.198 238 E C 2.162 178.735 176.600 -0.045 0.000 0.961 238 E CA 0.565 56.948 56.400 -0.028 0.000 0.905 238 E CB 0.106 29.793 29.700 -0.021 0.000 0.884 238 E HN 0.416 nan 8.360 nan 0.000 0.491 239 A N 0.905 123.684 122.820 -0.068 0.000 2.015 239 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 239 A C 2.296 179.796 177.584 -0.141 0.000 1.163 239 A CA 0.919 52.896 52.037 -0.099 0.000 0.646 239 A CB -0.258 18.672 19.000 -0.118 0.000 0.806 239 A HN 0.103 nan 8.150 nan 0.000 0.448 240 V N -0.665 119.164 119.914 -0.141 0.000 2.446 240 V HA -0.077 4.043 4.120 -0.000 0.000 0.244 240 V C 2.926 179.010 176.094 -0.016 0.000 1.039 240 V CA 1.452 63.669 62.300 -0.137 0.000 1.045 240 V CB -0.774 30.986 31.823 -0.104 0.000 0.681 240 V HN 0.556 nan 8.190 nan 0.000 0.459 241 A N -0.830 121.987 122.820 -0.005 0.000 2.131 241 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 241 A C 2.262 179.856 177.584 0.017 0.000 1.158 241 A CA 1.717 53.764 52.037 0.017 0.000 0.665 241 A CB -0.363 18.643 19.000 0.010 0.000 0.795 241 A HN 0.484 nan 8.150 nan 0.000 0.460 242 K N -0.749 119.652 120.400 0.001 0.000 2.067 242 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 242 K C 1.933 178.549 176.600 0.026 0.000 1.048 242 K CA 0.829 57.118 56.287 0.004 0.000 0.954 242 K CB -0.145 32.346 32.500 -0.014 0.000 0.737 242 K HN 0.383 nan 8.250 nan 0.000 0.444 243 A N 0.565 123.408 122.820 0.038 0.000 2.255 243 A HA 0.084 4.404 4.320 -0.000 0.000 0.206 243 A C 1.172 178.841 177.584 0.142 0.000 1.193 243 A CA 1.001 53.104 52.037 0.110 0.000 0.794 243 A CB -0.750 18.360 19.000 0.183 0.000 0.794 243 A HN 0.507 nan 8.150 nan 0.000 0.481 244 G N -0.726 108.133 108.800 0.099 0.000 2.203 244 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.263 244 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.263 244 G C 0.188 175.147 174.900 0.098 0.000 1.012 244 G CA 1.076 46.225 45.100 0.081 0.000 0.749 244 G HN 0.638 nan 8.290 nan 0.000 0.512 245 K N 0.282 120.781 120.400 0.165 0.000 2.295 245 K HA 0.593 4.913 4.320 -0.000 0.000 0.239 245 K C -2.166 174.530 176.600 0.160 0.000 0.991 245 K CA -2.025 54.352 56.287 0.149 0.000 0.845 245 K CB 2.294 34.887 32.500 0.156 0.000 1.197 245 K HN 0.028 nan 8.250 nan 0.000 0.441 246 P HA 0.216 nan 4.420 nan 0.000 0.277 246 P C -1.275 176.115 177.300 0.151 0.000 1.276 246 P CA -0.513 62.646 63.100 0.099 0.000 0.788 246 P CB 0.585 32.316 31.700 0.053 0.000 1.114 247 L N -0.040 121.250 121.223 0.111 0.000 2.526 247 L HA 0.549 4.889 4.340 -0.000 0.000 0.263 247 L C -1.791 175.109 176.870 0.049 0.000 0.943 247 L CA -0.862 54.050 54.840 0.120 0.000 0.859 247 L CB 1.711 43.842 42.059 0.119 0.000 1.313 247 L HN 0.186 nan 8.230 nan 0.000 0.406 248 L N 5.631 126.883 121.223 0.049 0.000 2.307 248 L HA 0.674 5.014 4.340 -0.000 0.000 0.284 248 L C -1.086 175.792 176.870 0.015 0.000 1.023 248 L CA -0.287 54.558 54.840 0.009 0.000 0.810 248 L CB 1.249 43.322 42.059 0.023 0.000 1.231 248 L HN 0.518 nan 8.230 nan 0.000 0.423 249 I N 7.098 127.656 120.570 -0.020 0.000 2.307 249 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 249 I C -0.213 175.912 176.117 0.015 0.000 1.021 249 I CA -0.191 61.106 61.300 -0.004 0.000 1.224 249 I CB 0.680 38.668 38.000 -0.020 0.000 1.376 249 I HN 0.548 nan 8.210 nan 0.000 0.470 250 I N 5.917 126.507 120.570 0.034 0.000 2.330 250 I HA 0.600 4.770 4.170 -0.000 0.000 0.286 250 I C 0.362 176.494 176.117 0.024 0.000 1.025 250 I CA -0.213 61.115 61.300 0.047 0.000 1.197 250 I CB 1.266 39.297 38.000 0.051 0.000 1.358 250 I HN 0.664 nan 8.210 nan 0.000 0.467 251 A N 4.614 127.451 122.820 0.030 0.000 2.483 251 A HA 0.448 4.768 4.320 -0.000 0.000 0.286 251 A C 0.805 178.407 177.584 0.030 0.000 1.207 251 A CA -0.543 51.508 52.037 0.023 0.000 0.764 251 A CB 1.410 20.425 19.000 0.025 0.000 1.341 251 A HN 0.699 nan 8.150 nan 0.000 0.428 252 E N -0.767 119.450 120.200 0.027 0.000 2.153 252 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 252 E C -0.407 176.221 176.600 0.047 0.000 0.988 252 E CA 1.506 57.928 56.400 0.036 0.000 0.811 252 E CB 0.163 29.882 29.700 0.033 0.000 0.746 252 E HN 0.576 nan 8.360 nan 0.000 0.466 253 D N -2.205 118.223 120.400 0.046 0.000 2.742 253 D HA 0.187 4.827 4.640 -0.000 0.000 0.262 253 D C -1.920 174.413 176.300 0.054 0.000 1.240 253 D CA -0.493 53.539 54.000 0.054 0.000 0.752 253 D CB 1.927 42.758 40.800 0.052 0.000 1.290 253 D HN -0.156 nan 8.370 nan 0.000 0.420 254 V N 1.798 121.752 119.914 0.066 0.000 2.525 254 V HA 0.487 4.607 4.120 -0.000 0.000 0.299 254 V C -0.359 175.784 176.094 0.082 0.000 1.034 254 V CA -0.621 61.722 62.300 0.072 0.000 0.863 254 V CB 1.748 33.620 31.823 0.081 0.000 0.999 254 V HN 0.413 nan 8.190 nan 0.000 0.423 255 E N 2.260 122.501 120.200 0.067 0.000 2.227 255 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 255 E C 1.083 177.717 176.600 0.058 0.000 0.907 255 E CA 0.032 56.468 56.400 0.061 0.000 0.786 255 E CB 2.201 31.929 29.700 0.047 0.000 1.191 255 E HN 0.803 nan 8.360 nan 0.000 0.411 256 G N 2.748 111.581 108.800 0.055 0.000 2.999 256 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.335 256 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.335 256 G C 1.226 176.152 174.900 0.043 0.000 1.346 256 G CA 1.291 46.418 45.100 0.045 0.000 1.351 256 G HN 0.663 nan 8.290 nan 0.000 0.902 257 E N 1.140 121.361 120.200 0.035 0.000 2.013 257 E HA -0.139 4.211 4.350 -0.000 0.000 0.202 257 E C 3.124 179.746 176.600 0.038 0.000 1.018 257 E CA 2.012 58.429 56.400 0.029 0.000 0.834 257 E CB -0.759 28.956 29.700 0.024 0.000 0.770 257 E HN 0.677 nan 8.360 nan 0.000 0.459 258 A N 1.209 124.056 122.820 0.044 0.000 1.908 258 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 258 A C 2.288 179.920 177.584 0.079 0.000 1.181 258 A CA 1.722 53.791 52.037 0.053 0.000 0.627 258 A CB -0.788 18.243 19.000 0.051 0.000 0.818 258 A HN 0.347 nan 8.150 nan 0.000 0.445 259 L N -0.176 121.104 121.223 0.096 0.000 1.955 259 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 259 L C 2.688 179.625 176.870 0.111 0.000 1.072 259 L CA 2.531 57.457 54.840 0.145 0.000 0.755 259 L CB -0.849 41.297 42.059 0.145 0.000 0.888 259 L HN 0.325 nan 8.230 nan 0.000 0.432 260 A N -1.734 121.122 122.820 0.059 0.000 2.076 260 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 260 A C 2.159 179.741 177.584 -0.004 0.000 1.160 260 A CA 2.220 54.263 52.037 0.009 0.000 0.653 260 A CB -1.186 17.814 19.000 0.001 0.000 0.801 260 A HN 0.627 nan 8.150 nan 0.000 0.455 261 T N 0.337 114.905 114.554 0.024 0.000 2.732 261 T HA -0.033 4.317 4.350 -0.000 0.000 0.261 261 T C 1.822 176.544 174.700 0.036 0.000 1.040 261 T CA 1.349 63.461 62.100 0.020 0.000 1.145 261 T CB -0.392 68.493 68.868 0.028 0.000 0.866 261 T HN 0.382 nan 8.240 nan 0.000 0.427 262 L N 0.956 122.233 121.223 0.090 0.000 2.042 262 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 262 L C 2.721 179.676 176.870 0.142 0.000 1.076 262 L CA 0.851 55.784 54.840 0.154 0.000 0.749 262 L CB -0.888 41.325 42.059 0.256 0.000 0.893 262 L HN 0.120 nan 8.230 nan 0.000 0.432 263 V N -0.532 119.410 119.914 0.047 0.000 2.287 263 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 263 V C 2.365 178.348 176.094 -0.185 0.000 1.053 263 V CA 1.765 63.955 62.300 -0.183 0.000 1.027 263 V CB -0.324 31.339 31.823 -0.268 0.000 0.646 263 V HN 0.232 nan 8.190 nan 0.000 0.447 264 V N 0.190 120.021 119.914 -0.137 0.000 2.759 264 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 264 V C 1.923 177.975 176.094 -0.069 0.000 1.080 264 V CA 1.876 64.100 62.300 -0.127 0.000 1.101 264 V CB -0.967 30.795 31.823 -0.102 0.000 0.698 264 V HN 0.623 nan 8.190 nan 0.000 0.477 265 N N 0.058 118.743 118.700 -0.025 0.000 2.415 265 N HA -0.088 4.652 4.740 -0.000 0.000 0.176 265 N C 1.844 177.366 175.510 0.020 0.000 1.042 265 N CA 1.326 54.378 53.050 0.005 0.000 0.902 265 N CB 0.185 38.688 38.487 0.027 0.000 0.986 265 N HN 0.630 nan 8.380 nan 0.000 0.447 266 T N -2.010 112.564 114.554 0.034 0.000 3.060 266 T HA 0.132 4.482 4.350 -0.000 0.000 0.249 266 T C 1.651 176.351 174.700 0.001 0.000 1.079 266 T CA -0.034 62.096 62.100 0.050 0.000 1.013 266 T CB 0.179 69.131 68.868 0.140 0.000 0.975 266 T HN -0.097 nan 8.240 nan 0.000 0.518 267 M N 1.644 121.215 119.600 -0.049 0.000 2.123 267 M HA 0.301 4.781 4.480 -0.000 0.000 0.263 267 M C 2.058 178.326 176.300 -0.054 0.000 1.069 267 M CA 1.367 56.620 55.300 -0.079 0.000 1.133 267 M CB -0.146 32.364 32.600 -0.149 0.000 1.356 267 M HN 0.072 nan 8.290 nan 0.000 0.415 268 R N -0.244 120.228 120.500 -0.046 0.000 2.325 268 R HA 0.252 4.592 4.340 -0.000 0.000 0.214 268 R C 0.806 177.096 176.300 -0.017 0.000 0.961 268 R CA 0.517 56.597 56.100 -0.033 0.000 1.086 268 R CB -0.593 29.688 30.300 -0.031 0.000 1.037 268 R HN 0.606 nan 8.270 nan 0.000 0.493 269 G N 1.729 110.524 108.800 -0.008 0.000 2.361 269 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.294 269 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.294 269 G C 0.768 175.674 174.900 0.010 0.000 1.004 269 G CA 0.408 45.512 45.100 0.006 0.000 0.870 269 G HN 0.393 nan 8.290 nan 0.000 0.510 270 I N -1.414 119.162 120.570 0.009 0.000 2.202 270 I HA -0.042 4.128 4.170 -0.000 0.000 0.242 270 I C 0.869 176.998 176.117 0.021 0.000 1.091 270 I CA 1.335 62.641 61.300 0.011 0.000 1.368 270 I CB -0.044 37.960 38.000 0.006 0.000 1.058 270 I HN 0.115 nan 8.210 nan 0.000 0.410 271 V N 0.983 120.915 119.914 0.031 0.000 2.567 271 V HA 0.199 4.319 4.120 -0.000 0.000 0.298 271 V C -0.604 175.525 176.094 0.058 0.000 1.047 271 V CA -1.119 61.206 62.300 0.042 0.000 0.880 271 V CB 1.622 33.469 31.823 0.041 0.000 1.009 271 V HN 0.065 nan 8.190 nan 0.000 0.429 272 K N 3.146 123.582 120.400 0.060 0.000 2.395 272 K HA 0.448 4.768 4.320 -0.000 0.000 0.283 272 K C -0.551 176.096 176.600 0.079 0.000 1.068 272 K CA 0.415 56.746 56.287 0.073 0.000 1.039 272 K CB 0.504 33.039 32.500 0.059 0.000 0.924 272 K HN 0.500 nan 8.250 nan 0.000 0.468 273 V N 1.468 121.446 119.914 0.106 0.000 3.049 273 V HA 0.842 4.962 4.120 -0.000 0.000 0.309 273 V C -0.957 175.134 176.094 -0.005 0.000 1.148 273 V CA -1.028 61.309 62.300 0.061 0.000 0.990 273 V CB 2.160 34.026 31.823 0.071 0.000 1.039 273 V HN 0.778 nan 8.190 nan 0.000 0.430 274 A N 2.037 124.709 122.820 -0.246 0.000 2.572 274 A HA 1.037 5.357 4.320 -0.000 0.000 0.295 274 A C -0.906 176.324 177.584 -0.589 0.000 1.072 274 A CA -0.116 51.448 52.037 -0.788 0.000 0.691 274 A CB 2.015 20.748 19.000 -0.444 0.000 1.291 274 A HN 1.862 nan 8.150 nan 0.000 0.404 275 A N 0.273 122.636 122.820 -0.761 0.000 2.435 275 A HA 0.869 5.189 4.320 -0.000 0.000 0.304 275 A C -0.684 176.825 177.584 -0.126 0.000 1.064 275 A CA -0.124 51.742 52.037 -0.284 0.000 0.727 275 A CB 1.499 20.401 19.000 -0.163 0.000 1.284 275 A HN 2.264 nan 8.150 nan 0.000 0.415 276 V N -0.882 119.026 119.914 -0.009 0.000 2.888 276 V HA 0.552 4.672 4.120 -0.000 0.000 0.309 276 V C -0.435 175.722 176.094 0.105 0.000 1.114 276 V CA -1.312 61.026 62.300 0.063 0.000 0.940 276 V CB 1.465 33.338 31.823 0.083 0.000 1.021 276 V HN 0.863 nan 8.190 nan 0.000 0.426 277 K N 2.369 122.834 120.400 0.109 0.000 2.524 277 K HA 0.440 4.760 4.320 -0.000 0.000 0.279 277 K C 0.683 177.368 176.600 0.141 0.000 0.993 277 K CA 0.559 56.910 56.287 0.107 0.000 1.030 277 K CB 0.850 33.407 32.500 0.096 0.000 0.891 277 K HN 1.113 nan 8.250 nan 0.000 0.488 278 A N 5.345 128.209 122.820 0.074 0.000 2.466 278 A HA 0.181 4.501 4.320 -0.000 0.000 0.238 278 A C -1.958 175.628 177.584 0.004 0.000 1.074 278 A CA -0.986 51.048 52.037 -0.005 0.000 0.774 278 A CB -0.353 18.620 19.000 -0.046 0.000 1.015 278 A HN 0.474 nan 8.150 nan 0.000 0.498 279 P HA 0.411 nan 4.420 nan 0.000 0.274 279 P C 0.770 178.081 177.300 0.017 0.000 1.237 279 P CA 1.253 64.341 63.100 -0.020 0.000 0.793 279 P CB 0.516 32.085 31.700 -0.218 0.000 0.977 280 G N 1.247 110.105 108.800 0.096 0.000 2.601 280 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.261 280 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.261 280 G C -0.734 174.309 174.900 0.239 0.000 1.289 280 G CA 0.303 45.487 45.100 0.140 0.000 0.920 280 G HN 0.787 nan 8.290 nan 0.000 0.571 281 F N -2.528 117.435 119.950 0.022 0.000 2.662 281 F HA 0.733 5.260 4.527 -0.000 0.000 0.312 281 F C 1.110 176.922 175.800 0.020 0.000 1.113 281 F CA 0.392 58.405 58.000 0.021 0.000 0.951 281 F CB 0.986 40.002 39.000 0.027 0.000 1.344 281 F HN 2.396 nan 8.300 nan 0.000 0.462 282 G N 1.532 110.371 108.800 0.066 0.000 2.634 282 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.318 282 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.318 282 G C 0.505 175.344 174.900 -0.102 0.000 1.207 282 G CA 0.928 46.008 45.100 -0.034 0.000 0.987 282 G HN 0.841 nan 8.290 nan 0.000 0.547 283 D N 1.223 121.525 120.400 -0.163 0.000 2.110 283 D HA -0.020 4.620 4.640 -0.000 0.000 0.202 283 D C 2.533 178.759 176.300 -0.122 0.000 0.975 283 D CA 1.504 55.437 54.000 -0.112 0.000 0.839 283 D CB -0.307 40.436 40.800 -0.094 0.000 0.996 283 D HN 0.676 nan 8.370 nan 0.000 0.464 284 R N 1.272 121.668 120.500 -0.173 0.000 2.341 284 R HA -0.005 4.335 4.340 -0.000 0.000 0.213 284 R C 2.047 178.272 176.300 -0.126 0.000 1.082 284 R CA 0.691 56.704 56.100 -0.146 0.000 1.017 284 R CB -0.378 29.827 30.300 -0.158 0.000 0.860 284 R HN 0.065 nan 8.270 nan 0.000 0.473 285 R N 1.845 122.272 120.500 -0.121 0.000 2.062 285 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 285 R C 1.311 177.568 176.300 -0.072 0.000 1.128 285 R CA 1.621 57.675 56.100 -0.077 0.000 0.960 285 R CB -0.016 30.266 30.300 -0.031 0.000 0.855 285 R HN 0.252 nan 8.270 nan 0.000 0.432 286 K N -0.152 120.211 120.400 -0.061 0.000 2.217 286 K HA -0.001 4.319 4.320 -0.000 0.000 0.202 286 K C 1.905 178.472 176.600 -0.056 0.000 1.051 286 K CA 1.121 57.378 56.287 -0.050 0.000 0.952 286 K CB 0.061 32.539 32.500 -0.037 0.000 0.736 286 K HN 0.229 nan 8.250 nan 0.000 0.453 287 A N 0.648 123.429 122.820 -0.064 0.000 1.975 287 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 287 A C 2.008 179.547 177.584 -0.075 0.000 1.170 287 A CA 0.856 52.855 52.037 -0.063 0.000 0.656 287 A CB -0.212 18.750 19.000 -0.062 0.000 0.821 287 A HN 0.131 nan 8.150 nan 0.000 0.449 288 M N -0.904 118.641 119.600 -0.091 0.000 2.200 288 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 288 M C 2.163 178.379 176.300 -0.139 0.000 1.066 288 M CA 1.072 56.303 55.300 -0.116 0.000 1.127 288 M CB -0.291 32.230 32.600 -0.132 0.000 1.379 288 M HN 0.477 nan 8.290 nan 0.000 0.420 289 L N 0.119 121.266 121.223 -0.127 0.000 2.042 289 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 289 L C 2.601 179.418 176.870 -0.088 0.000 1.076 289 L CA 1.453 56.220 54.840 -0.121 0.000 0.749 289 L CB -0.293 41.714 42.059 -0.086 0.000 0.893 289 L HN 0.293 nan 8.230 nan 0.000 0.432 290 Q N 0.312 120.071 119.800 -0.069 0.000 2.077 290 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 290 Q C 1.713 177.681 176.000 -0.052 0.000 0.989 290 Q CA 2.329 58.101 55.803 -0.051 0.000 0.853 290 Q CB -0.365 28.347 28.738 -0.044 0.000 0.907 290 Q HN 0.464 nan 8.270 nan 0.000 0.418 291 D N -0.378 119.983 120.400 -0.064 0.000 2.133 291 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 291 D C 1.921 178.188 176.300 -0.054 0.000 0.997 291 D CA 1.424 55.390 54.000 -0.057 0.000 0.840 291 D CB -0.256 40.504 40.800 -0.067 0.000 0.947 291 D HN 0.386 nan 8.370 nan 0.000 0.452 292 I N 0.917 121.440 120.570 -0.078 0.000 2.252 292 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 292 I C 2.481 178.579 176.117 -0.031 0.000 1.102 292 I CA 0.857 62.119 61.300 -0.063 0.000 1.385 292 I CB -0.283 37.650 38.000 -0.111 0.000 1.064 292 I HN -0.067 nan 8.210 nan 0.000 0.414 293 A N 1.119 123.919 122.820 -0.034 0.000 1.849 293 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 293 A C 2.403 179.981 177.584 -0.010 0.000 1.202 293 A CA 2.899 54.926 52.037 -0.016 0.000 0.629 293 A CB -1.372 17.617 19.000 -0.018 0.000 0.834 293 A HN 0.412 nan 8.150 nan 0.000 0.447 294 T N 0.627 115.172 114.554 -0.016 0.000 2.649 294 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 294 T C 1.805 176.500 174.700 -0.007 0.000 1.036 294 T CA 1.518 63.611 62.100 -0.012 0.000 1.157 294 T CB -0.525 68.333 68.868 -0.017 0.000 0.861 294 T HN 0.307 nan 8.240 nan 0.000 0.445 295 L N 1.575 122.793 121.223 -0.008 0.000 2.079 295 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 295 L C 2.294 179.166 176.870 0.003 0.000 1.081 295 L CA 2.367 57.206 54.840 -0.002 0.000 0.752 295 L CB -1.114 40.945 42.059 0.000 0.000 0.896 295 L HN 0.553 nan 8.230 nan 0.000 0.433 296 T N -4.581 109.977 114.554 0.006 0.000 3.054 296 T HA 0.282 4.632 4.350 -0.000 0.000 0.255 296 T C 1.120 175.829 174.700 0.016 0.000 1.035 296 T CA 0.333 62.440 62.100 0.011 0.000 0.941 296 T CB 0.185 69.065 68.868 0.020 0.000 1.026 296 T HN 0.478 nan 8.240 nan 0.000 0.533 297 G N 0.540 109.348 108.800 0.013 0.000 2.314 297 G HA2 0.119 4.079 3.960 -0.000 0.000 0.292 297 G HA3 0.119 4.079 3.960 -0.000 0.000 0.292 297 G C 0.276 175.191 174.900 0.026 0.000 1.059 297 G CA -0.183 44.927 45.100 0.016 0.000 0.982 297 G HN 1.040 nan 8.290 nan 0.000 0.505 298 G N -1.406 107.407 108.800 0.022 0.000 2.932 298 G HA2 0.888 4.848 3.960 -0.000 0.000 0.283 298 G HA3 0.888 4.848 3.960 -0.000 0.000 0.283 298 G C -0.405 174.503 174.900 0.013 0.000 1.336 298 G CA 0.147 45.263 45.100 0.027 0.000 1.056 298 G HN 0.751 nan 8.290 nan 0.000 0.522 299 T N -0.100 114.461 114.554 0.011 0.000 2.841 299 T HA 0.479 4.829 4.350 -0.000 0.000 0.283 299 T C -0.271 174.429 174.700 -0.001 0.000 1.000 299 T CA -0.380 61.721 62.100 0.003 0.000 0.977 299 T CB 1.858 70.727 68.868 0.002 0.000 0.979 299 T HN 0.378 nan 8.240 nan 0.000 0.446 300 V N 3.859 123.769 119.914 -0.007 0.000 2.427 300 V HA 0.281 4.401 4.120 -0.000 0.000 0.268 300 V C 0.287 176.376 176.094 -0.008 0.000 1.046 300 V CA -0.592 61.702 62.300 -0.011 0.000 0.970 300 V CB -0.049 31.763 31.823 -0.017 0.000 1.001 300 V HN 0.768 nan 8.190 nan 0.000 0.476 301 I N 5.271 125.837 120.570 -0.006 0.000 2.294 301 I HA 0.236 4.405 4.170 -0.000 0.000 0.295 301 I C 0.444 176.559 176.117 -0.004 0.000 1.098 301 I CA 0.428 61.725 61.300 -0.005 0.000 1.277 301 I CB 0.371 38.369 38.000 -0.003 0.000 1.434 301 I HN 0.668 nan 8.210 nan 0.000 0.498 302 S N 3.785 119.482 115.700 -0.005 0.000 2.454 302 S HA 0.340 4.810 4.470 -0.000 0.000 0.306 302 S C 0.588 175.187 174.600 -0.002 0.000 1.100 302 S CA -0.925 57.273 58.200 -0.004 0.000 1.087 302 S CB 2.022 65.218 63.200 -0.007 0.000 1.019 302 S HN 0.581 nan 8.310 nan 0.000 0.480 303 E N 1.427 121.628 120.200 0.000 0.000 2.333 303 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 303 E C 0.976 177.576 176.600 0.001 0.000 1.007 303 E CA 0.949 57.350 56.400 0.001 0.000 0.845 303 E CB -0.024 29.678 29.700 0.004 0.000 0.766 303 E HN 0.768 nan 8.360 nan 0.000 0.507 304 E N -0.024 120.176 120.200 -0.000 0.000 2.358 304 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 304 E C 1.341 177.940 176.600 -0.002 0.000 1.010 304 E CA 0.593 56.993 56.400 -0.001 0.000 0.856 304 E CB 0.172 29.871 29.700 -0.002 0.000 0.795 304 E HN 0.324 nan 8.360 nan 0.000 0.504 305 I N -0.841 119.728 120.570 -0.003 0.000 4.082 305 I HA 0.262 4.432 4.170 -0.000 0.000 0.337 305 I C 1.035 177.151 176.117 -0.003 0.000 1.352 305 I CA 0.037 61.335 61.300 -0.003 0.000 1.097 305 I CB 0.939 38.936 38.000 -0.005 0.000 1.048 305 I HN 0.121 nan 8.210 nan 0.000 0.393 306 G N 1.713 110.512 108.800 -0.002 0.000 2.130 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 306 G C 0.093 174.992 174.900 -0.002 0.000 0.999 306 G CA -0.363 44.736 45.100 -0.001 0.000 0.686 306 G HN 0.269 nan 8.290 nan 0.000 0.515 307 M N 0.525 120.124 119.600 -0.002 0.000 2.277 307 M HA 0.605 5.085 4.480 -0.000 0.000 0.350 307 M C 0.348 176.646 176.300 -0.002 0.000 1.180 307 M CA -0.186 55.112 55.300 -0.003 0.000 1.103 307 M CB 1.121 33.718 32.600 -0.004 0.000 1.577 307 M HN 0.195 nan 8.290 nan 0.000 0.459 308 E N 1.563 121.761 120.200 -0.003 0.000 2.232 308 E HA 0.340 4.690 4.350 -0.000 0.000 0.264 308 E C 0.212 176.810 176.600 -0.004 0.000 0.973 308 E CA -0.651 55.747 56.400 -0.003 0.000 0.849 308 E CB 1.863 31.561 29.700 -0.003 0.000 1.198 308 E HN 0.674 nan 8.360 nan 0.000 0.407 309 L N 1.172 122.393 121.223 -0.003 0.000 2.395 309 L HA -0.103 4.236 4.340 -0.000 0.000 0.218 309 L C 1.589 178.454 176.870 -0.009 0.000 1.130 309 L CA 0.869 55.706 54.840 -0.005 0.000 0.826 309 L CB -0.121 41.937 42.059 -0.001 0.000 0.941 309 L HN 0.542 nan 8.230 nan 0.000 0.451 310 E N 0.341 120.536 120.200 -0.008 0.000 2.152 310 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 310 E C 0.721 177.313 176.600 -0.013 0.000 0.983 310 E CA 0.844 57.238 56.400 -0.010 0.000 0.818 310 E CB 0.106 29.802 29.700 -0.007 0.000 0.758 310 E HN 0.223 nan 8.360 nan 0.000 0.467 311 K N 0.669 121.062 120.400 -0.012 0.000 2.765 311 K HA 0.450 4.770 4.320 -0.000 0.000 0.246 311 K C -1.007 175.584 176.600 -0.016 0.000 1.254 311 K CA -0.240 56.039 56.287 -0.013 0.000 1.219 311 K CB 0.899 33.394 32.500 -0.010 0.000 1.747 311 K HN -0.034 nan 8.250 nan 0.000 0.372 312 A N 1.260 124.067 122.820 -0.021 0.000 2.446 312 A HA 0.305 4.625 4.320 -0.000 0.000 0.282 312 A C 0.014 177.574 177.584 -0.040 0.000 1.102 312 A CA -0.769 51.252 52.037 -0.026 0.000 0.737 312 A CB 0.653 19.639 19.000 -0.023 0.000 1.212 312 A HN 0.349 nan 8.150 nan 0.000 0.434 313 T N 0.109 114.637 114.554 -0.042 0.000 2.862 313 T HA 0.515 4.865 4.350 -0.000 0.000 0.276 313 T C 1.396 176.044 174.700 -0.087 0.000 0.974 313 T CA -0.592 61.472 62.100 -0.060 0.000 0.966 313 T CB 0.379 69.220 68.868 -0.045 0.000 1.072 313 T HN 0.389 nan 8.240 nan 0.000 0.538 314 L N 0.245 121.390 121.223 -0.130 0.000 2.051 314 L HA -0.151 4.189 4.340 -0.000 0.000 0.214 314 L C 3.056 179.865 176.870 -0.101 0.000 1.076 314 L CA 2.180 56.892 54.840 -0.214 0.000 0.758 314 L CB -0.643 41.264 42.059 -0.252 0.000 0.890 314 L HN 0.922 nan 8.230 nan 0.000 0.433 315 E N 0.114 120.289 120.200 -0.042 0.000 2.209 315 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 315 E C 1.363 177.971 176.600 0.014 0.000 0.993 315 E CA 1.399 57.802 56.400 0.005 0.000 0.819 315 E CB 0.029 29.731 29.700 0.002 0.000 0.745 315 E HN 0.527 nan 8.360 nan 0.000 0.477 316 D N 0.260 120.657 120.400 -0.003 0.000 2.224 316 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 316 D C 0.496 176.809 176.300 0.022 0.000 0.965 316 D CA 0.332 54.335 54.000 0.004 0.000 0.852 316 D CB 0.040 40.835 40.800 -0.007 0.000 0.947 316 D HN 0.151 nan 8.370 nan 0.000 0.494 317 L N 0.815 122.057 121.223 0.031 0.000 2.452 317 L HA 0.269 4.609 4.340 -0.000 0.000 0.267 317 L C 1.399 178.345 176.870 0.126 0.000 1.188 317 L CA 0.146 55.032 54.840 0.076 0.000 0.821 317 L CB 0.735 42.846 42.059 0.087 0.000 1.102 317 L HN -0.142 nan 8.230 nan 0.000 0.470 318 G N 1.108 109.977 108.800 0.115 0.000 2.557 318 G HA2 0.524 4.484 3.960 -0.000 0.000 0.292 318 G HA3 0.524 4.484 3.960 -0.000 0.000 0.292 318 G C -1.042 173.925 174.900 0.112 0.000 1.237 318 G CA -0.222 44.933 45.100 0.092 0.000 0.978 318 G HN 0.538 nan 8.290 nan 0.000 0.498 319 Q N -1.741 118.083 119.800 0.040 0.000 2.438 319 Q HA 0.538 4.878 4.340 -0.000 0.000 0.272 319 Q C -1.204 174.766 176.000 -0.050 0.000 0.994 319 Q CA -0.693 55.087 55.803 -0.039 0.000 0.887 319 Q CB 2.214 30.899 28.738 -0.088 0.000 1.432 319 Q HN 0.952 nan 8.270 nan 0.000 0.392 320 A N 1.727 124.499 122.820 -0.080 0.000 2.552 320 A HA 0.538 4.858 4.320 -0.000 0.000 0.288 320 A C -0.670 176.866 177.584 -0.079 0.000 1.193 320 A CA -0.529 51.473 52.037 -0.058 0.000 0.713 320 A CB 1.601 20.586 19.000 -0.026 0.000 1.305 320 A HN 0.725 nan 8.150 nan 0.000 0.424 321 K N -0.864 119.502 120.400 -0.056 0.000 2.356 321 K HA 0.213 4.533 4.320 -0.000 0.000 0.195 321 K C 0.271 176.843 176.600 -0.047 0.000 1.037 321 K CA 0.701 56.954 56.287 -0.057 0.000 1.014 321 K CB 0.274 32.748 32.500 -0.043 0.000 0.815 321 K HN 0.511 nan 8.250 nan 0.000 0.507 322 R N -0.197 120.281 120.500 -0.036 0.000 2.644 322 R HA 0.183 4.523 4.340 -0.000 0.000 0.257 322 R C -1.897 174.392 176.300 -0.018 0.000 1.082 322 R CA -0.562 55.522 56.100 -0.027 0.000 0.927 322 R CB 1.953 32.240 30.300 -0.022 0.000 1.258 322 R HN -0.050 nan 8.270 nan 0.000 0.459 323 V N -0.406 119.499 119.914 -0.014 0.000 3.007 323 V HA 0.881 5.001 4.120 -0.000 0.000 0.311 323 V C -1.415 174.672 176.094 -0.013 0.000 1.120 323 V CA -0.662 61.631 62.300 -0.012 0.000 0.980 323 V CB 2.432 34.253 31.823 -0.003 0.000 1.033 323 V HN 0.409 nan 8.190 nan 0.000 0.429 324 V N 5.041 124.940 119.914 -0.024 0.000 2.532 324 V HA 0.523 4.643 4.120 -0.000 0.000 0.294 324 V C -0.364 175.709 176.094 -0.035 0.000 1.036 324 V CA -0.245 62.044 62.300 -0.018 0.000 0.876 324 V CB 1.428 33.238 31.823 -0.020 0.000 1.012 324 V HN 1.040 nan 8.190 nan 0.000 0.432 325 I N 1.211 121.783 120.570 0.004 0.000 2.433 325 I HA 0.714 4.884 4.170 -0.000 0.000 0.292 325 I C -0.454 175.715 176.117 0.086 0.000 1.001 325 I CA -0.434 60.868 61.300 0.003 0.000 1.119 325 I CB 2.039 40.047 38.000 0.014 0.000 1.289 325 I HN 0.384 nan 8.210 nan 0.000 0.438 326 N N 4.432 123.124 118.700 -0.014 0.000 2.538 326 N HA 0.209 4.949 4.740 -0.000 0.000 0.292 326 N C 0.764 176.095 175.510 -0.299 0.000 1.262 326 N CA -0.627 52.408 53.050 -0.024 0.000 0.976 326 N CB 1.114 39.557 38.487 -0.074 0.000 1.161 326 N HN 0.684 nan 8.380 nan 0.000 0.598 327 K N 0.096 120.311 120.400 -0.308 0.000 2.113 327 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 327 K C -0.345 175.953 176.600 -0.504 0.000 1.047 327 K CA 2.287 58.222 56.287 -0.586 0.000 0.928 327 K CB 0.033 32.424 32.500 -0.181 0.000 0.716 327 K HN 0.606 nan 8.250 nan 0.000 0.446 328 D N -2.294 117.934 120.400 -0.286 0.000 2.530 328 D HA 0.089 4.729 4.640 -0.000 0.000 0.253 328 D C -0.606 175.593 176.300 -0.168 0.000 1.338 328 D CA -0.372 53.509 54.000 -0.198 0.000 0.806 328 D CB 0.842 41.571 40.800 -0.119 0.000 1.160 328 D HN -0.152 nan 8.370 nan 0.000 0.514 329 T N 0.130 114.568 114.554 -0.194 0.000 2.848 329 T HA 0.596 4.946 4.350 -0.000 0.000 0.285 329 T C -0.958 173.561 174.700 -0.302 0.000 0.995 329 T CA -0.304 61.666 62.100 -0.217 0.000 0.970 329 T CB 2.027 70.808 68.868 -0.145 0.000 0.976 329 T HN -0.135 nan 8.240 nan 0.000 0.441 330 T N 2.393 116.620 114.554 -0.545 0.000 2.829 330 T HA 0.663 5.013 4.350 -0.000 0.000 0.280 330 T C -0.397 173.992 174.700 -0.518 0.000 0.999 330 T CA -0.531 61.206 62.100 -0.605 0.000 0.983 330 T CB 1.514 69.753 68.868 -1.049 0.000 0.968 330 T HN 0.616 nan 8.240 nan 0.000 0.446 331 T N 3.258 117.663 114.554 -0.247 0.000 2.937 331 T HA 0.645 4.995 4.350 -0.000 0.000 0.297 331 T C -0.888 173.788 174.700 -0.040 0.000 0.991 331 T CA -0.669 61.356 62.100 -0.125 0.000 0.990 331 T CB 0.236 69.046 68.868 -0.096 0.000 0.991 331 T HN 0.467 nan 8.240 nan 0.000 0.440 332 I N 5.804 126.388 120.570 0.023 0.000 2.321 332 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 332 I C -0.269 175.861 176.117 0.021 0.000 0.998 332 I CA -0.892 60.431 61.300 0.040 0.000 1.227 332 I CB 1.437 39.491 38.000 0.090 0.000 1.368 332 I HN 0.578 nan 8.210 nan 0.000 0.466 333 I N 5.906 126.479 120.570 0.004 0.000 2.362 333 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 333 I C -0.590 175.522 176.117 -0.008 0.000 0.994 333 I CA -0.404 60.894 61.300 -0.004 0.000 1.158 333 I CB 1.303 39.296 38.000 -0.012 0.000 1.315 333 I HN 0.597 nan 8.210 nan 0.000 0.451 334 D N 4.977 125.373 120.400 -0.006 0.000 3.515 334 D HA -0.107 4.533 4.640 -0.000 0.000 0.247 334 D C 0.015 176.306 176.300 -0.013 0.000 1.084 334 D CA 0.850 54.843 54.000 -0.011 0.000 1.030 334 D CB -0.332 40.458 40.800 -0.017 0.000 0.946 334 D HN 0.810 nan 8.370 nan 0.000 0.420 335 G N 0.579 109.375 108.800 -0.006 0.000 2.444 335 G HA2 0.421 4.381 3.960 -0.000 0.000 0.268 335 G HA3 0.421 4.381 3.960 -0.000 0.000 0.268 335 G C 1.421 176.315 174.900 -0.010 0.000 1.203 335 G CA -0.305 44.791 45.100 -0.007 0.000 0.835 335 G HN 0.353 nan 8.290 nan 0.000 0.543 336 V N 2.263 122.169 119.914 -0.013 0.000 2.913 336 V HA -0.017 4.103 4.120 -0.000 0.000 0.260 336 V C 2.172 178.264 176.094 -0.003 0.000 1.098 336 V CA 1.071 63.364 62.300 -0.011 0.000 1.121 336 V CB -1.181 30.635 31.823 -0.012 0.000 0.714 336 V HN 0.812 nan 8.190 nan 0.000 0.487 337 G N 1.114 109.914 108.800 0.000 0.000 2.265 337 G HA2 0.075 4.035 3.960 -0.000 0.000 0.240 337 G HA3 0.075 4.035 3.960 -0.000 0.000 0.240 337 G C -0.127 174.773 174.900 -0.001 0.000 1.270 337 G CA -0.162 44.939 45.100 0.001 0.000 0.901 337 G HN 0.570 nan 8.290 nan 0.000 0.507 338 E N 1.803 122.003 120.200 -0.000 0.000 2.313 338 E HA 0.114 4.464 4.350 -0.000 0.000 0.272 338 E C 0.667 177.266 176.600 -0.003 0.000 1.038 338 E CA -0.342 56.057 56.400 -0.001 0.000 0.863 338 E CB 1.726 31.426 29.700 -0.000 0.000 1.060 338 E HN 0.660 nan 8.360 nan 0.000 0.402 339 E N 1.464 121.662 120.200 -0.003 0.000 2.409 339 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 339 E C 1.643 178.240 176.600 -0.004 0.000 1.024 339 E CA 0.606 57.003 56.400 -0.004 0.000 0.861 339 E CB -0.016 29.682 29.700 -0.004 0.000 0.788 339 E HN 0.599 nan 8.360 nan 0.000 0.521 340 A N 1.883 124.701 122.820 -0.004 0.000 1.849 340 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 340 A C 2.443 180.025 177.584 -0.005 0.000 1.202 340 A CA 2.038 54.072 52.037 -0.004 0.000 0.629 340 A CB -0.911 18.087 19.000 -0.003 0.000 0.834 340 A HN 0.329 nan 8.150 nan 0.000 0.447 341 A N -0.416 122.401 122.820 -0.004 0.000 1.877 341 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 341 A C 2.158 179.737 177.584 -0.007 0.000 1.186 341 A CA 1.618 53.651 52.037 -0.006 0.000 0.620 341 A CB -0.685 18.312 19.000 -0.004 0.000 0.822 341 A HN 0.533 nan 8.150 nan 0.000 0.443 342 I N -1.099 119.467 120.570 -0.007 0.000 2.202 342 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 342 I C 2.734 178.846 176.117 -0.009 0.000 1.091 342 I CA 1.484 62.779 61.300 -0.008 0.000 1.368 342 I CB -0.386 37.610 38.000 -0.007 0.000 1.058 342 I HN 0.274 nan 8.210 nan 0.000 0.410 343 Q N 1.458 121.253 119.800 -0.008 0.000 2.050 343 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 343 Q C 2.226 178.221 176.000 -0.009 0.000 0.980 343 Q CA 2.142 57.940 55.803 -0.008 0.000 0.840 343 Q CB -1.048 27.686 28.738 -0.007 0.000 0.898 343 Q HN 0.499 nan 8.270 nan 0.000 0.424 344 G N -0.029 108.766 108.800 -0.008 0.000 2.469 344 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.220 344 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.220 344 G C 1.624 176.517 174.900 -0.011 0.000 1.136 344 G CA 1.081 46.175 45.100 -0.009 0.000 0.759 344 G HN 0.388 nan 8.290 nan 0.000 0.562 345 R N -0.216 120.276 120.500 -0.013 0.000 2.148 345 R HA 0.103 4.443 4.340 -0.000 0.000 0.223 345 R C 2.471 178.760 176.300 -0.017 0.000 1.088 345 R CA 0.841 56.932 56.100 -0.016 0.000 0.985 345 R CB -0.370 29.919 30.300 -0.018 0.000 0.880 345 R HN 0.211 nan 8.270 nan 0.000 0.451 346 V N 0.646 120.551 119.914 -0.015 0.000 2.427 346 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 346 V C 2.261 178.346 176.094 -0.015 0.000 1.051 346 V CA 1.819 64.110 62.300 -0.016 0.000 1.048 346 V CB -0.576 31.238 31.823 -0.013 0.000 0.666 346 V HN 0.536 nan 8.190 nan 0.000 0.456 347 A N -0.974 121.838 122.820 -0.013 0.000 1.969 347 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 347 A C 2.169 179.745 177.584 -0.014 0.000 1.169 347 A CA 1.638 53.668 52.037 -0.012 0.000 0.635 347 A CB -0.347 18.647 19.000 -0.010 0.000 0.810 347 A HN 0.621 nan 8.150 nan 0.000 0.445 348 Q N -0.509 119.282 119.800 -0.015 0.000 2.049 348 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 348 Q C 1.970 177.958 176.000 -0.020 0.000 0.971 348 Q CA 1.549 57.342 55.803 -0.017 0.000 0.833 348 Q CB -0.253 28.474 28.738 -0.018 0.000 0.896 348 Q HN 0.748 nan 8.270 nan 0.000 0.434 349 I N -0.006 120.551 120.570 -0.022 0.000 2.353 349 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 349 I C 2.380 178.482 176.117 -0.025 0.000 1.119 349 I CA 0.568 61.852 61.300 -0.027 0.000 1.417 349 I CB -0.178 37.804 38.000 -0.031 0.000 1.078 349 I HN 0.089 nan 8.210 nan 0.000 0.421 350 R N 1.084 121.571 120.500 -0.021 0.000 2.133 350 R HA -0.268 4.072 4.340 -0.000 0.000 0.245 350 R C 2.333 178.623 176.300 -0.017 0.000 1.137 350 R CA 2.047 58.136 56.100 -0.018 0.000 0.947 350 R CB -0.339 29.952 30.300 -0.015 0.000 0.865 350 R HN 0.391 nan 8.270 nan 0.000 0.437 351 Q N -0.670 119.120 119.800 -0.016 0.000 2.167 351 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 351 Q C 2.081 178.071 176.000 -0.016 0.000 0.970 351 Q CA 1.346 57.141 55.803 -0.014 0.000 0.855 351 Q CB 0.128 28.858 28.738 -0.013 0.000 0.911 351 Q HN 0.529 nan 8.270 nan 0.000 0.438 352 Q N 0.168 119.956 119.800 -0.019 0.000 2.181 352 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 352 Q C 1.990 177.977 176.000 -0.022 0.000 0.980 352 Q CA 0.991 56.781 55.803 -0.021 0.000 0.862 352 Q CB -0.197 28.524 28.738 -0.027 0.000 0.905 352 Q HN 0.502 nan 8.270 nan 0.000 0.429 353 I N 1.062 121.618 120.570 -0.023 0.000 2.614 353 I HA -0.212 3.958 4.170 -0.000 0.000 0.258 353 I C 1.930 178.037 176.117 -0.016 0.000 1.189 353 I CA 0.678 61.964 61.300 -0.023 0.000 1.462 353 I CB -0.248 37.737 38.000 -0.024 0.000 1.092 353 I HN 0.064 nan 8.210 nan 0.000 0.442 354 E N 1.478 121.670 120.200 -0.013 0.000 2.047 354 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 354 E C 1.771 178.367 176.600 -0.008 0.000 0.987 354 E CA 1.318 57.712 56.400 -0.010 0.000 0.799 354 E CB -0.331 29.364 29.700 -0.009 0.000 0.752 354 E HN 0.593 nan 8.360 nan 0.000 0.449 355 E N 0.704 120.899 120.200 -0.009 0.000 2.489 355 E HA 0.243 4.593 4.350 -0.000 0.000 0.193 355 E C 0.137 176.734 176.600 -0.005 0.000 1.057 355 E CA 0.146 56.543 56.400 -0.006 0.000 0.866 355 E CB 0.344 30.039 29.700 -0.007 0.000 0.916 355 E HN 0.073 nan 8.360 nan 0.000 0.500 356 A N 1.712 124.528 122.820 -0.007 0.000 2.505 356 A HA 0.049 4.369 4.320 -0.000 0.000 0.271 356 A C 1.385 178.970 177.584 0.003 0.000 1.112 356 A CA 0.260 52.295 52.037 -0.004 0.000 0.781 356 A CB -0.181 18.812 19.000 -0.012 0.000 1.059 356 A HN 0.287 nan 8.150 nan 0.000 0.508 357 T N 0.038 114.597 114.554 0.009 0.000 3.051 357 T HA 0.194 4.544 4.350 -0.000 0.000 0.255 357 T C 0.919 175.631 174.700 0.020 0.000 1.085 357 T CA 0.765 62.873 62.100 0.012 0.000 1.109 357 T CB -0.060 68.815 68.868 0.012 0.000 0.921 357 T HN 0.717 nan 8.240 nan 0.000 0.488 358 S N -0.336 115.382 115.700 0.030 0.000 2.607 358 S HA 0.363 4.833 4.470 -0.000 0.000 0.303 358 S C 0.286 174.917 174.600 0.052 0.000 1.086 358 S CA -0.709 57.520 58.200 0.048 0.000 0.995 358 S CB 1.649 64.892 63.200 0.071 0.000 1.084 358 S HN 0.102 nan 8.310 nan 0.000 0.507 359 D N 1.128 121.566 120.400 0.064 0.000 2.123 359 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 359 D C 1.355 177.696 176.300 0.070 0.000 0.976 359 D CA 1.197 55.230 54.000 0.055 0.000 0.831 359 D CB -0.207 40.626 40.800 0.055 0.000 0.974 359 D HN 0.731 nan 8.370 nan 0.000 0.469 360 Y N 2.225 122.525 120.300 0.000 0.000 2.151 360 Y HA -0.214 4.336 4.550 0.000 0.000 0.284 360 Y C 1.795 177.690 175.900 -0.008 0.000 1.166 360 Y CA 1.689 59.789 58.100 -0.000 0.000 1.163 360 Y CB -0.095 38.367 38.460 0.004 0.000 0.974 360 Y HN -0.074 nan 8.280 nan 0.000 0.511 361 D N -0.544 119.872 120.400 0.026 0.000 2.264 361 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 361 D C 2.122 178.366 176.300 -0.094 0.000 0.966 361 D CA 0.811 54.783 54.000 -0.047 0.000 0.864 361 D CB -0.100 40.713 40.800 0.022 0.000 0.933 361 D HN 0.410 nan 8.370 nan 0.000 0.499 362 R N 0.909 121.366 120.500 -0.071 0.000 2.064 362 R HA -0.109 4.231 4.340 -0.000 0.000 0.228 362 R C 2.291 178.530 176.300 -0.102 0.000 1.144 362 R CA 1.121 57.181 56.100 -0.066 0.000 0.932 362 R CB 0.141 30.420 30.300 -0.034 0.000 0.833 362 R HN 0.072 nan 8.270 nan 0.000 0.429 363 E N 1.011 121.134 120.200 -0.129 0.000 2.070 363 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 363 E C 1.741 178.235 176.600 -0.176 0.000 1.004 363 E CA 1.139 57.455 56.400 -0.139 0.000 0.805 363 E CB -0.292 29.322 29.700 -0.143 0.000 0.744 363 E HN 0.215 nan 8.360 nan 0.000 0.451 364 K N 0.674 120.903 120.400 -0.286 0.000 2.211 364 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 364 K C 2.333 178.840 176.600 -0.156 0.000 1.047 364 K CA 0.708 56.836 56.287 -0.264 0.000 0.935 364 K CB -0.266 32.010 32.500 -0.373 0.000 0.728 364 K HN 0.274 nan 8.250 nan 0.000 0.452 365 L N -0.096 121.051 121.223 -0.128 0.000 2.168 365 L HA -0.034 4.306 4.340 -0.000 0.000 0.203 365 L C 2.280 179.110 176.870 -0.067 0.000 1.078 365 L CA 0.568 55.356 54.840 -0.086 0.000 0.780 365 L CB -0.368 41.648 42.059 -0.071 0.000 0.939 365 L HN 0.065 nan 8.230 nan 0.000 0.451 366 Q N 0.220 119.980 119.800 -0.066 0.000 2.364 366 Q HA -0.195 4.145 4.340 -0.000 0.000 0.209 366 Q C 1.869 177.843 176.000 -0.044 0.000 0.977 366 Q CA 1.146 56.921 55.803 -0.048 0.000 0.885 366 Q CB 0.065 28.777 28.738 -0.043 0.000 0.941 366 Q HN 0.492 nan 8.270 nan 0.000 0.464 367 E N -0.059 120.108 120.200 -0.055 0.000 2.158 367 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 367 E C 1.857 178.436 176.600 -0.035 0.000 0.982 367 E CA 0.360 56.734 56.400 -0.043 0.000 0.823 367 E CB 0.234 29.902 29.700 -0.055 0.000 0.766 367 E HN 0.235 nan 8.360 nan 0.000 0.468 368 R N 0.407 120.880 120.500 -0.046 0.000 2.119 368 R HA -0.068 4.272 4.340 -0.000 0.000 0.222 368 R C 2.652 178.934 176.300 -0.031 0.000 1.088 368 R CA 1.180 57.255 56.100 -0.041 0.000 0.984 368 R CB -0.306 29.962 30.300 -0.054 0.000 0.884 368 R HN 0.161 nan 8.270 nan 0.000 0.447 369 V N -1.201 118.694 119.914 -0.031 0.000 2.307 369 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 369 V C 2.342 178.426 176.094 -0.017 0.000 1.045 369 V CA 1.789 64.075 62.300 -0.024 0.000 1.024 369 V CB -1.063 30.746 31.823 -0.023 0.000 0.651 369 V HN 0.201 nan 8.190 nan 0.000 0.449 370 A N 0.450 123.260 122.820 -0.016 0.000 1.908 370 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 370 A C 2.334 179.916 177.584 -0.003 0.000 1.181 370 A CA 2.415 54.447 52.037 -0.010 0.000 0.627 370 A CB -0.669 18.325 19.000 -0.010 0.000 0.818 370 A HN 0.651 nan 8.150 nan 0.000 0.445 371 K N -1.281 119.119 120.400 -0.000 0.000 2.026 371 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 371 K C 1.937 178.542 176.600 0.008 0.000 1.048 371 K CA 1.407 57.701 56.287 0.012 0.000 0.929 371 K CB -0.276 32.235 32.500 0.019 0.000 0.713 371 K HN 0.363 nan 8.250 nan 0.000 0.439 372 L N 0.329 121.551 121.223 -0.002 0.000 2.049 372 L HA 0.015 4.355 4.340 -0.000 0.000 0.203 372 L C 1.988 178.856 176.870 -0.004 0.000 1.074 372 L CA 1.792 56.629 54.840 -0.005 0.000 0.749 372 L CB -0.623 41.427 42.059 -0.014 0.000 0.907 372 L HN 0.106 nan 8.230 nan 0.000 0.439 373 A N -1.396 121.420 122.820 -0.007 0.000 2.132 373 A HA 0.219 4.539 4.320 -0.000 0.000 0.213 373 A C 2.134 179.715 177.584 -0.004 0.000 1.154 373 A CA 0.760 52.793 52.037 -0.006 0.000 0.753 373 A CB -0.933 18.062 19.000 -0.009 0.000 0.826 373 A HN 0.473 nan 8.150 nan 0.000 0.469 374 G N -0.525 108.274 108.800 -0.003 0.000 2.464 374 G HA2 0.372 4.332 3.960 -0.000 0.000 0.217 374 G HA3 0.372 4.332 3.960 -0.000 0.000 0.217 374 G C 1.106 176.005 174.900 -0.001 0.000 1.138 374 G CA 0.658 45.757 45.100 -0.002 0.000 0.793 374 G HN 1.532 nan 8.290 nan 0.000 0.539 375 G N -1.438 107.363 108.800 0.002 0.000 2.806 375 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.236 375 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.236 375 G C -0.566 174.334 174.900 0.001 0.000 1.387 375 G CA -0.198 44.903 45.100 0.002 0.000 0.884 375 G HN 0.969 nan 8.290 nan 0.000 0.560 376 V N 0.283 120.196 119.914 -0.002 0.000 2.656 376 V HA 0.739 4.859 4.120 -0.000 0.000 0.307 376 V C 0.712 176.800 176.094 -0.009 0.000 1.051 376 V CA -0.105 62.191 62.300 -0.006 0.000 0.893 376 V CB 1.663 33.483 31.823 -0.005 0.000 0.999 376 V HN 2.019 nan 8.190 nan 0.000 0.426 377 A N 4.289 127.102 122.820 -0.012 0.000 2.269 377 A HA 0.701 5.021 4.320 -0.000 0.000 0.302 377 A C -0.200 177.374 177.584 -0.016 0.000 1.266 377 A CA -0.356 51.674 52.037 -0.013 0.000 0.894 377 A CB 0.777 19.770 19.000 -0.013 0.000 1.147 377 A HN 1.370 nan 8.150 nan 0.000 0.537 378 V N 1.958 121.864 119.914 -0.014 0.000 2.532 378 V HA 0.743 4.863 4.120 -0.000 0.000 0.295 378 V C -0.357 175.729 176.094 -0.014 0.000 1.041 378 V CA -0.630 61.660 62.300 -0.015 0.000 0.926 378 V CB 1.128 32.943 31.823 -0.014 0.000 0.992 378 V HN 0.606 nan 8.190 nan 0.000 0.457 379 I N 5.095 125.657 120.570 -0.014 0.000 2.428 379 I HA 0.391 4.561 4.170 -0.000 0.000 0.279 379 I C 0.252 176.363 176.117 -0.010 0.000 1.040 379 I CA -0.541 60.752 61.300 -0.012 0.000 1.171 379 I CB 1.151 39.143 38.000 -0.013 0.000 1.312 379 I HN 0.644 nan 8.210 nan 0.000 0.470 380 K N 5.019 125.414 120.400 -0.009 0.000 2.416 380 K HA 0.270 4.590 4.320 -0.000 0.000 0.283 380 K C -0.465 176.132 176.600 -0.006 0.000 1.037 380 K CA -0.258 56.024 56.287 -0.008 0.000 0.995 380 K CB 1.352 33.848 32.500 -0.008 0.000 0.938 380 K HN 0.286 nan 8.250 nan 0.000 0.475 381 V N 2.921 122.832 119.914 -0.005 0.000 2.383 381 V HA 0.255 4.375 4.120 -0.000 0.000 0.275 381 V C 0.749 176.841 176.094 -0.004 0.000 1.036 381 V CA -0.607 61.690 62.300 -0.004 0.000 0.889 381 V CB 1.329 33.150 31.823 -0.003 0.000 0.985 381 V HN 0.915 nan 8.190 nan 0.000 0.459 382 G N 3.063 111.861 108.800 -0.003 0.000 2.412 382 G HA2 0.838 4.798 3.960 -0.000 0.000 0.318 382 G HA3 0.838 4.798 3.960 -0.000 0.000 0.318 382 G C -0.453 174.445 174.900 -0.002 0.000 1.146 382 G CA 0.201 45.299 45.100 -0.003 0.000 0.882 382 G HN 1.215 nan 8.290 nan 0.000 0.501 383 A N -0.517 122.302 122.820 -0.002 0.000 2.467 383 A HA 0.781 5.101 4.320 -0.000 0.000 0.301 383 A C 0.631 178.214 177.584 -0.002 0.000 1.126 383 A CA 0.435 52.471 52.037 -0.002 0.000 0.632 383 A CB 0.281 19.280 19.000 -0.002 0.000 1.331 383 A HN 1.814 nan 8.150 nan 0.000 0.482 384 A N -0.991 121.828 122.820 -0.002 0.000 2.044 384 A HA 0.532 4.852 4.320 -0.000 0.000 0.213 384 A C 1.081 178.664 177.584 -0.002 0.000 1.169 384 A CA 1.971 54.007 52.037 -0.002 0.000 0.724 384 A CB -0.220 18.779 19.000 -0.002 0.000 0.840 384 A HN 2.172 nan 8.150 nan 0.000 0.463 385 T N -2.476 112.077 114.554 -0.002 0.000 2.933 385 T HA 0.347 4.697 4.350 -0.000 0.000 0.305 385 T C 0.492 175.191 174.700 -0.001 0.000 1.092 385 T CA 0.093 62.193 62.100 -0.001 0.000 1.008 385 T CB 1.603 70.470 68.868 -0.001 0.000 1.102 385 T HN 0.284 nan 8.240 nan 0.000 0.469 386 E N 1.913 122.112 120.200 -0.001 0.000 2.065 386 E HA -0.178 4.172 4.350 -0.000 0.000 0.201 386 E C 1.909 178.508 176.600 -0.001 0.000 1.016 386 E CA 2.394 58.793 56.400 -0.001 0.000 0.818 386 E CB -0.282 29.417 29.700 -0.001 0.000 0.749 386 E HN 0.620 nan 8.360 nan 0.000 0.453 387 V N 0.976 120.890 119.914 -0.001 0.000 2.370 387 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 387 V C 2.387 178.481 176.094 -0.001 0.000 1.068 387 V CA 2.425 64.725 62.300 -0.001 0.000 1.061 387 V CB -0.699 31.124 31.823 -0.001 0.000 0.656 387 V HN 0.361 nan 8.190 nan 0.000 0.455 388 E N -0.958 119.242 120.200 -0.001 0.000 2.158 388 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 388 E C 2.133 178.733 176.600 -0.001 0.000 0.982 388 E CA 0.830 57.230 56.400 -0.001 0.000 0.823 388 E CB 0.015 29.714 29.700 -0.001 0.000 0.766 388 E HN 0.569 nan 8.360 nan 0.000 0.468 389 M N 0.341 119.940 119.600 -0.001 0.000 2.257 389 M HA -0.049 4.431 4.480 -0.000 0.000 0.260 389 M C 1.973 178.272 176.300 -0.000 0.000 1.102 389 M CA 1.197 56.497 55.300 -0.001 0.000 1.169 389 M CB -0.074 32.525 32.600 -0.001 0.000 1.323 389 M HN -0.151 nan 8.290 nan 0.000 0.447 390 K N 0.354 120.754 120.400 -0.000 0.000 2.360 390 K HA -0.188 4.132 4.320 -0.000 0.000 0.201 390 K C 1.883 178.484 176.600 0.002 0.000 1.046 390 K CA 1.005 57.293 56.287 0.001 0.000 0.940 390 K CB 0.010 32.510 32.500 0.000 0.000 0.748 390 K HN 0.379 nan 8.250 nan 0.000 0.465 391 E N 1.413 121.614 120.200 0.001 0.000 2.011 391 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 391 E C 1.794 178.396 176.600 0.003 0.000 0.980 391 E CA 1.215 57.616 56.400 0.002 0.000 0.814 391 E CB -0.040 29.661 29.700 0.001 0.000 0.775 391 E HN 0.111 nan 8.360 nan 0.000 0.454 392 K N 1.160 121.561 120.400 0.002 0.000 2.077 392 K HA -0.265 4.055 4.320 -0.000 0.000 0.213 392 K C 2.356 178.958 176.600 0.004 0.000 1.051 392 K CA 2.275 58.563 56.287 0.002 0.000 0.929 392 K CB -0.234 32.266 32.500 0.001 0.000 0.715 392 K HN -0.014 nan 8.250 nan 0.000 0.451 393 K N 0.028 120.430 120.400 0.003 0.000 2.032 393 K HA -0.258 4.062 4.320 -0.000 0.000 0.218 393 K C 1.987 178.592 176.600 0.009 0.000 1.054 393 K CA 1.963 58.252 56.287 0.004 0.000 0.941 393 K CB -0.411 32.090 32.500 0.003 0.000 0.720 393 K HN 0.292 nan 8.250 nan 0.000 0.449 394 A N 1.197 124.024 122.820 0.010 0.000 1.940 394 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 394 A C 2.195 179.791 177.584 0.020 0.000 1.176 394 A CA 1.803 53.850 52.037 0.017 0.000 0.631 394 A CB -0.593 18.416 19.000 0.014 0.000 0.814 394 A HN 0.454 nan 8.150 nan 0.000 0.446 395 R N -0.728 119.780 120.500 0.014 0.000 2.096 395 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 395 R C 2.017 178.327 176.300 0.018 0.000 1.127 395 R CA 1.451 57.559 56.100 0.014 0.000 0.968 395 R CB -0.345 29.959 30.300 0.008 0.000 0.861 395 R HN 0.364 nan 8.270 nan 0.000 0.440 396 V N 1.048 120.970 119.914 0.014 0.000 2.261 396 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 396 V C 1.934 178.039 176.094 0.019 0.000 1.047 396 V CA 1.980 64.287 62.300 0.011 0.000 1.015 396 V CB -0.432 31.393 31.823 0.003 0.000 0.642 396 V HN 0.409 nan 8.190 nan 0.000 0.446 397 E N -0.348 119.866 120.200 0.023 0.000 2.171 397 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 397 E C 1.953 178.613 176.600 0.099 0.000 0.997 397 E CA 1.511 57.935 56.400 0.039 0.000 0.810 397 E CB -0.163 29.566 29.700 0.047 0.000 0.738 397 E HN 0.622 nan 8.360 nan 0.000 0.467 398 D N 0.032 120.482 120.400 0.084 0.000 2.077 398 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 398 D C 1.946 178.302 176.300 0.093 0.000 0.986 398 D CA 1.377 55.432 54.000 0.091 0.000 0.829 398 D CB -0.231 40.595 40.800 0.042 0.000 0.983 398 D HN 0.160 nan 8.370 nan 0.000 0.453 399 A N 0.992 123.846 122.820 0.055 0.000 1.902 399 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 399 A C 2.333 179.946 177.584 0.048 0.000 1.181 399 A CA 0.994 53.057 52.037 0.043 0.000 0.623 399 A CB -0.901 18.113 19.000 0.024 0.000 0.818 399 A HN 0.257 nan 8.150 nan 0.000 0.443 400 L N -1.237 120.006 121.223 0.033 0.000 2.013 400 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 400 L C 2.630 179.504 176.870 0.008 0.000 1.073 400 L CA 2.211 57.050 54.840 -0.001 0.000 0.753 400 L CB -0.464 41.570 42.059 -0.042 0.000 0.890 400 L HN 0.513 nan 8.230 nan 0.000 0.432 401 H N -0.290 118.779 119.070 -0.001 0.000 2.251 401 H HA -0.195 4.361 4.556 -0.000 0.000 0.294 401 H C 2.126 177.455 175.328 0.002 0.000 1.078 401 H CA 1.905 57.953 56.048 -0.000 0.000 1.246 401 H CB -0.401 29.360 29.762 -0.001 0.000 1.358 401 H HN 0.545 nan 8.280 nan 0.000 0.488 402 A N -0.248 122.670 122.820 0.162 0.000 2.019 402 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 402 A C 2.643 180.263 177.584 0.059 0.000 1.164 402 A CA 1.895 53.983 52.037 0.084 0.000 0.644 402 A CB -0.672 18.358 19.000 0.050 0.000 0.805 402 A HN 0.455 nan 8.150 nan 0.000 0.449 403 T N -0.636 113.949 114.554 0.051 0.000 2.770 403 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 403 T C 2.065 176.781 174.700 0.027 0.000 1.039 403 T CA 1.367 63.485 62.100 0.030 0.000 1.142 403 T CB -0.204 68.675 68.868 0.018 0.000 0.868 403 T HN 0.510 nan 8.240 nan 0.000 0.435 404 R N 0.867 121.383 120.500 0.027 0.000 2.117 404 R HA -0.070 4.270 4.340 -0.000 0.000 0.243 404 R C 2.500 178.821 176.300 0.035 0.000 1.143 404 R CA 1.445 57.558 56.100 0.022 0.000 0.968 404 R CB -0.340 29.967 30.300 0.012 0.000 0.863 404 R HN 0.345 nan 8.270 nan 0.000 0.444 405 A N -0.046 122.806 122.820 0.053 0.000 2.167 405 A HA 0.123 4.443 4.320 -0.000 0.000 0.214 405 A C 2.025 179.629 177.584 0.034 0.000 1.151 405 A CA 1.098 53.164 52.037 0.048 0.000 0.735 405 A CB -0.114 18.922 19.000 0.060 0.000 0.802 405 A HN 0.393 nan 8.150 nan 0.000 0.467 406 A N -0.487 122.351 122.820 0.029 0.000 1.878 406 A HA 0.131 4.451 4.320 -0.000 0.000 0.213 406 A C 2.011 179.606 177.584 0.018 0.000 1.192 406 A CA 1.224 53.275 52.037 0.022 0.000 0.619 406 A CB -0.857 18.155 19.000 0.020 0.000 0.837 406 A HN 0.344 nan 8.150 nan 0.000 0.446 407 V N 0.626 120.551 119.914 0.017 0.000 2.439 407 V HA -0.338 3.782 4.120 -0.000 0.000 0.253 407 V C 2.327 178.429 176.094 0.014 0.000 1.074 407 V CA 2.507 64.815 62.300 0.013 0.000 1.076 407 V CB -0.894 30.936 31.823 0.011 0.000 0.664 407 V HN 0.632 nan 8.190 nan 0.000 0.461 408 E N -0.583 119.627 120.200 0.018 0.000 2.060 408 E HA -0.052 4.298 4.350 -0.000 0.000 0.189 408 E C 1.480 178.090 176.600 0.016 0.000 0.974 408 E CA 0.972 57.383 56.400 0.018 0.000 0.808 408 E CB 0.114 29.827 29.700 0.022 0.000 0.768 408 E HN 0.655 nan 8.360 nan 0.000 0.453 409 E N -0.521 119.690 120.200 0.017 0.000 2.846 409 E HA 0.237 4.587 4.350 -0.000 0.000 0.211 409 E C -0.031 176.578 176.600 0.015 0.000 0.975 409 E CA 0.051 56.460 56.400 0.015 0.000 1.211 409 E CB 1.678 31.387 29.700 0.015 0.000 1.052 409 E HN 0.246 nan 8.360 nan 0.000 0.487 410 G N 1.163 109.972 108.800 0.015 0.000 2.725 410 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 410 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 410 G C -0.279 174.631 174.900 0.016 0.000 1.357 410 G CA -0.440 44.669 45.100 0.015 0.000 0.866 410 G HN 0.522 nan 8.290 nan 0.000 0.548 411 V N -2.520 117.403 119.914 0.016 0.000 3.074 411 V HA 0.999 5.119 4.120 -0.000 0.000 0.314 411 V C 0.527 176.631 176.094 0.017 0.000 1.117 411 V CA 0.211 62.521 62.300 0.016 0.000 1.014 411 V CB 1.489 33.321 31.823 0.015 0.000 1.057 411 V HN 2.523 nan 8.190 nan 0.000 0.438 412 V N -1.012 118.912 119.914 0.016 0.000 3.206 412 V HA 0.971 5.091 4.120 -0.000 0.000 0.305 412 V C 0.448 176.552 176.094 0.017 0.000 1.257 412 V CA -0.844 61.467 62.300 0.019 0.000 1.057 412 V CB 1.137 32.972 31.823 0.020 0.000 1.075 412 V HN 2.379 nan 8.190 nan 0.000 0.443 413 A N 0.951 123.784 122.820 0.022 0.000 2.581 413 A HA 0.352 4.672 4.320 -0.000 0.000 0.257 413 A C 1.518 179.107 177.584 0.009 0.000 1.022 413 A CA 0.798 52.846 52.037 0.017 0.000 0.812 413 A CB -0.652 18.364 19.000 0.026 0.000 0.918 413 A HN 2.181 nan 8.150 nan 0.000 0.516 414 G N 2.223 111.022 108.800 -0.002 0.000 2.848 414 G HA2 0.201 4.161 3.960 -0.000 0.000 0.208 414 G HA3 0.201 4.161 3.960 -0.000 0.000 0.208 414 G C 0.948 175.843 174.900 -0.008 0.000 1.152 414 G CA 0.745 45.842 45.100 -0.006 0.000 0.789 414 G HN 1.201 nan 8.290 nan 0.000 0.531 415 G N -0.391 108.405 108.800 -0.008 0.000 3.383 415 G HA2 0.397 4.357 3.960 -0.000 0.000 0.251 415 G HA3 0.397 4.357 3.960 -0.000 0.000 0.251 415 G C 1.197 176.105 174.900 0.014 0.000 1.203 415 G CA 0.283 45.380 45.100 -0.005 0.000 0.852 415 G HN 1.126 nan 8.290 nan 0.000 0.531 416 G N -0.751 108.057 108.800 0.013 0.000 2.155 416 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 416 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 416 G C 1.214 176.128 174.900 0.025 0.000 0.983 416 G CA 0.603 45.714 45.100 0.019 0.000 0.676 416 G HN 0.529 nan 8.290 nan 0.000 0.528 417 V N 0.629 120.557 119.914 0.023 0.000 2.244 417 V HA -0.008 4.112 4.120 -0.000 0.000 0.244 417 V C 3.293 179.407 176.094 0.033 0.000 1.042 417 V CA 2.826 65.144 62.300 0.030 0.000 1.006 417 V CB -1.495 30.341 31.823 0.022 0.000 0.641 417 V HN 1.084 nan 8.190 nan 0.000 0.446 418 A N 0.463 123.300 122.820 0.029 0.000 1.894 418 A HA -0.292 4.028 4.320 -0.000 0.000 0.220 418 A C 2.231 179.832 177.584 0.028 0.000 1.237 418 A CA 2.524 54.578 52.037 0.029 0.000 0.660 418 A CB -0.949 18.065 19.000 0.023 0.000 0.835 418 A HN 0.386 nan 8.150 nan 0.000 0.461 419 L N -0.439 120.799 121.223 0.024 0.000 1.990 419 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 419 L C 2.545 179.430 176.870 0.025 0.000 1.072 419 L CA 1.761 56.615 54.840 0.023 0.000 0.755 419 L CB -1.106 40.966 42.059 0.021 0.000 0.889 419 L HN 0.427 nan 8.230 nan 0.000 0.432 420 I N -0.771 119.817 120.570 0.029 0.000 2.286 420 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 420 I C 2.684 178.822 176.117 0.035 0.000 1.115 420 I CA 1.019 62.338 61.300 0.031 0.000 1.392 420 I CB -0.481 37.541 38.000 0.037 0.000 1.065 420 I HN 0.341 nan 8.210 nan 0.000 0.418 421 R N 1.270 121.794 120.500 0.040 0.000 2.070 421 R HA -0.164 4.176 4.340 -0.000 0.000 0.233 421 R C 2.361 178.681 176.300 0.033 0.000 1.137 421 R CA 2.384 58.511 56.100 0.044 0.000 0.945 421 R CB -0.698 29.632 30.300 0.050 0.000 0.845 421 R HN 0.313 nan 8.270 nan 0.000 0.430 422 V N -1.119 118.812 119.914 0.028 0.000 2.407 422 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 422 V C 2.179 178.284 176.094 0.019 0.000 1.055 422 V CA 1.862 64.174 62.300 0.022 0.000 1.049 422 V CB -1.259 30.575 31.823 0.018 0.000 0.662 422 V HN 0.397 nan 8.190 nan 0.000 0.455 423 A N 1.436 124.268 122.820 0.020 0.000 1.972 423 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 423 A C 2.586 180.180 177.584 0.017 0.000 1.169 423 A CA 2.434 54.481 52.037 0.017 0.000 0.635 423 A CB -0.956 18.054 19.000 0.017 0.000 0.810 423 A HN 1.015 nan 8.150 nan 0.000 0.446 424 S N -0.468 115.244 115.700 0.021 0.000 2.436 424 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 424 S C 1.798 176.408 174.600 0.018 0.000 1.014 424 S CA 1.131 59.343 58.200 0.021 0.000 0.950 424 S CB -0.229 62.987 63.200 0.027 0.000 0.784 424 S HN 0.590 nan 8.310 nan 0.000 0.504 425 K N 1.004 121.415 120.400 0.019 0.000 2.031 425 K HA 0.054 4.374 4.320 -0.000 0.000 0.205 425 K C 0.758 177.365 176.600 0.012 0.000 1.049 425 K CA 1.259 57.556 56.287 0.016 0.000 0.939 425 K CB -0.448 32.062 32.500 0.017 0.000 0.717 425 K HN 0.488 nan 8.250 nan 0.000 0.438 426 L N -1.058 120.172 121.223 0.011 0.000 3.001 426 L HA 0.378 4.718 4.340 -0.000 0.000 0.234 426 L C 1.122 177.997 176.870 0.008 0.000 1.321 426 L CA -0.134 54.711 54.840 0.009 0.000 1.138 426 L CB 0.302 42.366 42.059 0.008 0.000 1.503 426 L HN -0.125 nan 8.230 nan 0.000 0.487 427 A N -0.860 121.965 122.820 0.009 0.000 2.121 427 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 427 A C 1.722 179.310 177.584 0.006 0.000 1.154 427 A CA 1.186 53.228 52.037 0.007 0.000 0.679 427 A CB -0.250 18.754 19.000 0.008 0.000 0.795 427 A HN 0.472 nan 8.150 nan 0.000 0.458 428 D N -0.984 119.419 120.400 0.005 0.000 2.333 428 D HA 0.060 4.700 4.640 -0.000 0.000 0.208 428 D C 0.542 176.844 176.300 0.004 0.000 0.984 428 D CA -0.060 53.943 54.000 0.004 0.000 0.873 428 D CB -0.270 40.532 40.800 0.004 0.000 0.935 428 D HN 0.337 nan 8.370 nan 0.000 0.521 429 L N 2.018 123.244 121.223 0.004 0.000 2.667 429 L HA -0.075 4.265 4.340 -0.000 0.000 0.278 429 L C 0.332 177.204 176.870 0.003 0.000 1.217 429 L CA 0.758 55.600 54.840 0.003 0.000 0.935 429 L CB 0.048 42.110 42.059 0.004 0.000 1.193 429 L HN -0.209 nan 8.230 nan 0.000 0.493 430 R N 3.092 123.593 120.500 0.002 0.000 2.943 430 R HA 0.852 5.192 4.340 -0.000 0.000 0.246 430 R C 0.063 176.364 176.300 0.002 0.000 1.201 430 R CA -0.366 55.735 56.100 0.002 0.000 1.056 430 R CB 1.268 31.570 30.300 0.002 0.000 1.243 430 R HN 0.774 nan 8.270 nan 0.000 0.498 431 G N -0.429 108.372 108.800 0.002 0.000 3.166 431 G HA2 0.352 4.312 3.960 -0.000 0.000 0.267 431 G HA3 0.352 4.312 3.960 -0.000 0.000 0.267 431 G C -0.401 174.500 174.900 0.001 0.000 1.256 431 G CA -0.149 44.952 45.100 0.002 0.000 0.859 431 G HN 0.316 nan 8.290 nan 0.000 0.590 432 Q N -0.335 119.466 119.800 0.001 0.000 2.252 432 Q HA 0.184 4.524 4.340 -0.000 0.000 0.195 432 Q C 1.167 177.167 176.000 0.001 0.000 0.974 432 Q CA 0.060 55.863 55.803 0.001 0.000 0.846 432 Q CB -0.164 28.575 28.738 0.001 0.000 0.943 432 Q HN 0.542 nan 8.270 nan 0.000 0.516 433 N N 1.279 119.980 118.700 0.001 0.000 2.458 433 N HA -0.076 4.664 4.740 -0.000 0.000 0.258 433 N C 0.342 175.853 175.510 0.001 0.000 1.219 433 N CA -0.030 53.021 53.050 0.001 0.000 0.902 433 N CB 0.590 39.078 38.487 0.002 0.000 1.076 433 N HN 0.272 nan 8.380 nan 0.000 0.455 434 E N 1.566 121.767 120.200 0.001 0.000 2.409 434 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 434 E C 0.206 176.807 176.600 0.002 0.000 1.024 434 E CA 0.834 57.235 56.400 0.002 0.000 0.861 434 E CB 0.141 29.842 29.700 0.001 0.000 0.788 434 E HN 0.550 nan 8.360 nan 0.000 0.521 435 D N 1.159 121.560 120.400 0.002 0.000 2.219 435 D HA -0.146 4.494 4.640 -0.000 0.000 0.205 435 D C 1.785 178.086 176.300 0.003 0.000 0.970 435 D CA 0.896 54.898 54.000 0.002 0.000 0.851 435 D CB -0.048 40.753 40.800 0.002 0.000 0.943 435 D HN 0.333 nan 8.370 nan 0.000 0.488 436 Q N -0.026 119.776 119.800 0.003 0.000 2.245 436 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 436 Q C 1.573 177.575 176.000 0.003 0.000 0.955 436 Q CA 0.525 56.330 55.803 0.003 0.000 0.870 436 Q CB 0.289 29.028 28.738 0.002 0.000 0.945 436 Q HN 0.100 nan 8.270 nan 0.000 0.461 437 N N -0.427 118.275 118.700 0.003 0.000 2.171 437 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 437 N C 1.734 177.246 175.510 0.003 0.000 1.021 437 N CA 0.943 53.995 53.050 0.003 0.000 0.854 437 N CB -0.261 38.227 38.487 0.002 0.000 0.994 437 N HN 0.048 nan 8.380 nan 0.000 0.426 438 V N 1.100 121.016 119.914 0.003 0.000 2.380 438 V HA -0.206 3.914 4.120 -0.000 0.000 0.251 438 V C 2.350 178.447 176.094 0.004 0.000 1.063 438 V CA 2.101 64.403 62.300 0.004 0.000 1.055 438 V CB -1.179 30.646 31.823 0.003 0.000 0.657 438 V HN 0.373 nan 8.190 nan 0.000 0.455 439 G N -0.239 108.564 108.800 0.004 0.000 2.418 439 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 439 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 439 G C 1.509 176.412 174.900 0.005 0.000 1.158 439 G CA 1.086 46.189 45.100 0.005 0.000 0.771 439 G HN 0.525 nan 8.290 nan 0.000 0.545 440 I N 0.152 120.725 120.570 0.004 0.000 2.142 440 I HA -0.093 4.077 4.170 -0.000 0.000 0.240 440 I C 2.687 178.807 176.117 0.005 0.000 1.078 440 I CA 1.163 62.466 61.300 0.005 0.000 1.343 440 I CB -0.192 37.810 38.000 0.004 0.000 1.046 440 I HN -0.040 nan 8.210 nan 0.000 0.405 441 K N 0.786 121.189 120.400 0.005 0.000 2.152 441 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 441 K C 1.974 178.578 176.600 0.006 0.000 1.048 441 K CA 0.949 57.239 56.287 0.005 0.000 0.933 441 K CB -0.621 31.882 32.500 0.005 0.000 0.721 441 K HN 0.121 nan 8.250 nan 0.000 0.447 442 V N 0.404 120.321 119.914 0.006 0.000 2.255 442 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 442 V C 2.152 178.251 176.094 0.008 0.000 1.051 442 V CA 2.166 64.470 62.300 0.007 0.000 1.018 442 V CB -0.685 31.142 31.823 0.007 0.000 0.641 442 V HN 0.399 nan 8.190 nan 0.000 0.445 443 A N -1.058 121.767 122.820 0.008 0.000 1.968 443 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 443 A C 2.200 179.790 177.584 0.009 0.000 1.169 443 A CA 1.220 53.263 52.037 0.009 0.000 0.638 443 A CB -0.376 18.629 19.000 0.008 0.000 0.812 443 A HN 0.483 nan 8.150 nan 0.000 0.446 444 L N -1.038 120.190 121.223 0.009 0.000 1.994 444 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 444 L C 2.784 179.660 176.870 0.010 0.000 1.071 444 L CA 1.810 56.656 54.840 0.009 0.000 0.745 444 L CB -0.393 41.672 42.059 0.009 0.000 0.892 444 L HN 0.443 nan 8.230 nan 0.000 0.431 445 R N 0.085 120.590 120.500 0.009 0.000 2.237 445 R HA -0.108 4.232 4.340 -0.000 0.000 0.219 445 R C 2.000 178.306 176.300 0.010 0.000 1.080 445 R CA 0.979 57.084 56.100 0.009 0.000 0.995 445 R CB -0.033 30.271 30.300 0.008 0.000 0.875 445 R HN 0.349 nan 8.270 nan 0.000 0.462 446 A N 0.178 123.004 122.820 0.011 0.000 2.067 446 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 446 A C 1.877 179.469 177.584 0.014 0.000 1.156 446 A CA 0.596 52.640 52.037 0.012 0.000 0.683 446 A CB -0.133 18.875 19.000 0.013 0.000 0.808 446 A HN 0.319 nan 8.150 nan 0.000 0.455 447 M N -0.240 119.368 119.600 0.014 0.000 2.562 447 M HA -0.028 4.452 4.480 -0.000 0.000 0.257 447 M C 0.800 177.110 176.300 0.017 0.000 1.099 447 M CA 0.698 56.007 55.300 0.016 0.000 1.099 447 M CB -0.085 32.524 32.600 0.016 0.000 1.427 447 M HN 0.434 nan 8.290 nan 0.000 0.489 448 E N 0.401 120.610 120.200 0.015 0.000 2.476 448 E HA 0.100 4.450 4.350 -0.000 0.000 0.191 448 E C 1.680 178.288 176.600 0.014 0.000 1.064 448 E CA 0.125 56.534 56.400 0.016 0.000 0.866 448 E CB 0.092 29.800 29.700 0.013 0.000 0.952 448 E HN 0.431 nan 8.360 nan 0.000 0.492 449 A N 2.485 125.313 122.820 0.014 0.000 1.872 449 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 449 A C -0.258 177.334 177.584 0.013 0.000 1.187 449 A CA 0.801 52.846 52.037 0.012 0.000 0.614 449 A CB -1.137 17.871 19.000 0.012 0.000 0.826 449 A HN 0.129 nan 8.150 nan 0.000 0.442 450 P HA -0.146 nan 4.420 nan 0.000 0.214 450 P C 1.757 179.069 177.300 0.019 0.000 1.163 450 P CA 0.894 64.003 63.100 0.016 0.000 0.883 450 P CB -0.099 31.610 31.700 0.016 0.000 0.788 451 L N -0.363 120.874 121.223 0.023 0.000 1.971 451 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 451 L C 2.468 179.352 176.870 0.023 0.000 1.072 451 L CA 2.017 56.875 54.840 0.031 0.000 0.758 451 L CB -0.784 41.296 42.059 0.036 0.000 0.889 451 L HN -0.269 nan 8.230 nan 0.000 0.433 452 R N -1.153 119.355 120.500 0.014 0.000 2.139 452 R HA -0.244 4.096 4.340 -0.000 0.000 0.243 452 R C 2.331 178.635 176.300 0.007 0.000 1.145 452 R CA 1.745 57.848 56.100 0.004 0.000 0.976 452 R CB -0.311 29.990 30.300 0.002 0.000 0.866 452 R HN 0.472 nan 8.270 nan 0.000 0.449 453 Q N 0.518 120.325 119.800 0.012 0.000 2.049 453 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 453 Q C 1.813 177.823 176.000 0.016 0.000 0.971 453 Q CA 1.438 57.248 55.803 0.011 0.000 0.833 453 Q CB -0.017 28.727 28.738 0.010 0.000 0.896 453 Q HN 0.265 nan 8.270 nan 0.000 0.434 454 I N -0.160 120.424 120.570 0.023 0.000 2.118 454 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 454 I C 2.155 178.301 176.117 0.048 0.000 1.070 454 I CA 1.289 62.608 61.300 0.032 0.000 1.327 454 I CB -1.201 36.823 38.000 0.039 0.000 1.034 454 I HN 0.091 nan 8.210 nan 0.000 0.405 455 V N 1.001 120.950 119.914 0.060 0.000 2.278 455 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 455 V C 2.587 178.697 176.094 0.026 0.000 1.062 455 V CA 2.106 64.437 62.300 0.053 0.000 1.038 455 V CB -0.640 31.171 31.823 -0.020 0.000 0.646 455 V HN 0.334 nan 8.190 nan 0.000 0.447 456 L N 0.387 121.618 121.223 0.013 0.000 2.027 456 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 456 L C 2.208 179.084 176.870 0.011 0.000 1.074 456 L CA 1.882 56.727 54.840 0.007 0.000 0.745 456 L CB -0.794 41.267 42.059 0.003 0.000 0.898 456 L HN 0.318 nan 8.230 nan 0.000 0.433 457 N N -1.011 117.697 118.700 0.013 0.000 2.322 457 N HA -0.201 4.539 4.740 -0.000 0.000 0.189 457 N C 1.507 177.025 175.510 0.014 0.000 1.012 457 N CA 1.607 54.664 53.050 0.011 0.000 0.880 457 N CB -0.623 37.870 38.487 0.010 0.000 0.967 457 N HN 0.454 nan 8.380 nan 0.000 0.439 458 C N -1.527 117.787 119.300 0.023 0.000 2.906 458 C HA 0.418 4.878 4.460 -0.000 0.000 0.274 458 C C 1.588 176.593 174.990 0.025 0.000 1.257 458 C CA -0.044 58.991 59.018 0.027 0.000 1.695 458 C CB -0.648 27.123 27.740 0.052 0.000 1.958 458 C HN 0.555 nan 8.230 nan 0.000 0.619 459 G N 1.542 110.353 108.800 0.017 0.000 2.147 459 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.244 459 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.244 459 G C -0.295 174.611 174.900 0.010 0.000 1.005 459 G CA 0.048 45.155 45.100 0.011 0.000 0.713 459 G HN 0.515 nan 8.290 nan 0.000 0.515 460 E N 0.616 120.822 120.200 0.010 0.000 2.283 460 E HA 0.348 4.698 4.350 -0.000 0.000 0.267 460 E C 0.492 177.073 176.600 -0.031 0.000 1.045 460 E CA -0.723 55.671 56.400 -0.010 0.000 0.884 460 E CB 0.649 30.342 29.700 -0.013 0.000 1.106 460 E HN 0.321 nan 8.360 nan 0.000 0.408 461 E N 2.412 122.588 120.200 -0.041 0.000 2.585 461 E HA -0.035 4.315 4.350 -0.000 0.000 0.252 461 E C -1.671 174.891 176.600 -0.063 0.000 0.981 461 E CA -0.998 55.378 56.400 -0.041 0.000 0.943 461 E CB 0.456 30.132 29.700 -0.040 0.000 0.923 461 E HN 0.235 nan 8.360 nan 0.000 0.486 462 P HA -0.083 nan 4.420 nan 0.000 0.215 462 P C 1.390 178.662 177.300 -0.045 0.000 1.157 462 P CA 0.928 63.998 63.100 -0.050 0.000 0.869 462 P CB 0.041 31.726 31.700 -0.025 0.000 0.781 463 S N 0.136 115.819 115.700 -0.028 0.000 2.426 463 S HA -0.247 4.223 4.470 -0.000 0.000 0.253 463 S C 2.070 176.654 174.600 -0.027 0.000 1.104 463 S CA 2.203 60.390 58.200 -0.021 0.000 1.158 463 S CB -2.084 61.107 63.200 -0.016 0.000 1.043 463 S HN -0.035 nan 8.310 nan 0.000 0.443 464 V N 1.198 121.090 119.914 -0.037 0.000 2.323 464 V HA -0.091 4.029 4.120 -0.000 0.000 0.244 464 V C 2.637 178.705 176.094 -0.044 0.000 1.041 464 V CA 1.597 63.876 62.300 -0.035 0.000 1.025 464 V CB -0.565 31.239 31.823 -0.031 0.000 0.656 464 V HN 0.476 nan 8.190 nan 0.000 0.451 465 V N 0.102 119.957 119.914 -0.099 0.000 2.295 465 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 465 V C 2.667 178.738 176.094 -0.039 0.000 1.049 465 V CA 2.102 64.315 62.300 -0.145 0.000 1.024 465 V CB -1.020 30.542 31.823 -0.435 0.000 0.648 465 V HN 0.570 nan 8.190 nan 0.000 0.447 466 A N 0.765 123.562 122.820 -0.037 0.000 1.851 466 A HA -0.348 3.972 4.320 -0.000 0.000 0.216 466 A C 2.056 179.650 177.584 0.017 0.000 1.195 466 A CA 2.551 54.589 52.037 0.001 0.000 0.622 466 A CB -1.136 17.864 19.000 -0.001 0.000 0.831 466 A HN 0.723 nan 8.150 nan 0.000 0.444 467 N N -0.515 118.188 118.700 0.004 0.000 2.132 467 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 467 N C 1.707 177.224 175.510 0.011 0.000 1.015 467 N CA 3.089 56.142 53.050 0.006 0.000 0.864 467 N CB -0.493 37.991 38.487 -0.004 0.000 1.006 467 N HN 0.531 nan 8.380 nan 0.000 0.430 468 T N -2.062 112.494 114.554 0.003 0.000 2.857 468 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 468 T C 1.880 176.619 174.700 0.064 0.000 1.048 468 T CA 1.277 63.366 62.100 -0.020 0.000 1.139 468 T CB -0.672 68.090 68.868 -0.176 0.000 0.874 468 T HN 0.042 nan 8.240 nan 0.000 0.455 469 V N 1.884 121.863 119.914 0.108 0.000 2.392 469 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 469 V C 2.857 179.035 176.094 0.141 0.000 1.059 469 V CA 1.933 64.308 62.300 0.126 0.000 1.051 469 V CB -0.639 31.244 31.823 0.099 0.000 0.658 469 V HN 0.527 nan 8.190 nan 0.000 0.455 470 K N 0.404 120.858 120.400 0.090 0.000 2.097 470 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 470 K C 2.154 178.798 176.600 0.074 0.000 1.049 470 K CA 1.501 57.831 56.287 0.071 0.000 0.933 470 K CB -0.612 31.914 32.500 0.042 0.000 0.717 470 K HN 0.577 nan 8.250 nan 0.000 0.442 471 G N 0.862 109.703 108.800 0.069 0.000 2.625 471 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 471 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 471 G C 0.710 175.638 174.900 0.046 0.000 1.132 471 G CA 0.590 45.716 45.100 0.043 0.000 0.782 471 G HN 0.345 nan 8.290 nan 0.000 0.538 472 G N -1.046 107.830 108.800 0.127 0.000 2.543 472 G HA2 0.517 4.477 3.960 -0.000 0.000 0.267 472 G HA3 0.517 4.477 3.960 -0.000 0.000 0.267 472 G C -1.014 173.933 174.900 0.079 0.000 1.406 472 G CA -0.468 44.679 45.100 0.079 0.000 1.048 472 G HN 0.114 nan 8.290 nan 0.000 0.548 473 D N -2.030 118.410 120.400 0.066 0.000 2.559 473 D HA 0.493 5.133 4.640 -0.000 0.000 0.250 473 D C 0.972 177.331 176.300 0.098 0.000 1.135 473 D CA 0.536 54.574 54.000 0.062 0.000 0.955 473 D CB 1.921 42.728 40.800 0.012 0.000 1.442 473 D HN 0.768 nan 8.370 nan 0.000 0.471 474 G N 1.467 110.309 108.800 0.071 0.000 2.698 474 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.337 474 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.337 474 G C 0.512 175.471 174.900 0.099 0.000 1.286 474 G CA 0.315 45.458 45.100 0.071 0.000 1.000 474 G HN 0.572 nan 8.290 nan 0.000 0.547 475 N N 0.420 119.183 118.700 0.105 0.000 2.378 475 N HA 0.195 4.935 4.740 -0.000 0.000 0.243 475 N C -0.300 175.307 175.510 0.163 0.000 1.137 475 N CA 0.015 53.129 53.050 0.106 0.000 0.862 475 N CB 0.165 38.694 38.487 0.071 0.000 1.116 475 N HN 0.444 nan 8.380 nan 0.000 0.499 476 Y N 0.854 121.185 120.300 0.052 0.000 2.319 476 Y HA 0.516 5.066 4.550 -0.000 0.000 0.328 476 Y C 0.673 176.637 175.900 0.107 0.000 1.133 476 Y CA -0.247 57.898 58.100 0.075 0.000 1.265 476 Y CB 0.611 39.111 38.460 0.067 0.000 1.218 476 Y HN 0.126 nan 8.280 nan 0.000 0.508 477 G N 3.783 112.327 108.800 -0.426 0.000 2.548 477 G HA2 0.270 4.230 3.960 -0.000 0.000 0.301 477 G HA3 0.270 4.230 3.960 -0.000 0.000 0.301 477 G C -2.541 172.237 174.900 -0.204 0.000 1.349 477 G CA -0.961 43.987 45.100 -0.253 0.000 0.792 477 G HN 0.596 nan 8.290 nan 0.000 0.481 478 Y N 1.459 121.624 120.300 -0.225 0.000 2.331 478 Y HA 0.620 5.170 4.550 -0.000 0.000 0.338 478 Y C -0.140 175.593 175.900 -0.278 0.000 0.976 478 Y CA -1.370 56.497 58.100 -0.389 0.000 1.137 478 Y CB 1.539 39.748 38.460 -0.419 0.000 1.172 478 Y HN 0.461 nan 8.280 nan 0.000 0.478 479 N N 4.969 123.212 118.700 -0.763 0.000 2.469 479 N HA 0.212 4.952 4.740 -0.000 0.000 0.239 479 N C 0.438 175.369 175.510 -0.966 0.000 1.053 479 N CA 0.438 53.117 53.050 -0.619 0.000 0.937 479 N CB 1.232 39.497 38.487 -0.369 0.000 1.163 479 N HN 0.858 nan 8.380 nan 0.000 0.509 480 A N 3.737 126.108 122.820 -0.748 0.000 2.070 480 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 480 A C 2.027 179.438 177.584 -0.288 0.000 1.159 480 A CA 1.593 53.326 52.037 -0.507 0.000 0.656 480 A CB -0.655 18.288 19.000 -0.095 0.000 0.800 480 A HN 0.739 nan 8.150 nan 0.000 0.453 481 A N -0.553 122.124 122.820 -0.240 0.000 1.969 481 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 481 A C 2.170 179.667 177.584 -0.146 0.000 1.169 481 A CA 2.236 54.184 52.037 -0.148 0.000 0.635 481 A CB -0.677 18.255 19.000 -0.113 0.000 0.810 481 A HN 0.873 nan 8.150 nan 0.000 0.445 482 T N -3.679 110.752 114.554 -0.205 0.000 3.043 482 T HA 0.243 4.593 4.350 -0.000 0.000 0.272 482 T C 0.153 174.743 174.700 -0.183 0.000 0.990 482 T CA 0.654 62.661 62.100 -0.155 0.000 0.897 482 T CB -0.281 68.510 68.868 -0.130 0.000 1.111 482 T HN 0.596 nan 8.240 nan 0.000 0.529 483 E N 0.081 120.095 120.200 -0.310 0.000 2.539 483 E HA -0.217 4.133 4.350 -0.000 0.000 0.253 483 E C -0.485 175.975 176.600 -0.233 0.000 1.145 483 E CA 0.746 56.983 56.400 -0.272 0.000 0.738 483 E CB -2.227 27.480 29.700 0.011 0.000 1.308 483 E HN 0.715 nan 8.360 nan 0.000 0.409 484 E N -0.596 119.390 120.200 -0.357 0.000 2.221 484 E HA 0.522 4.872 4.350 -0.000 0.000 0.268 484 E C -0.677 175.744 176.600 -0.298 0.000 0.933 484 E CA -0.712 55.573 56.400 -0.192 0.000 0.809 484 E CB 0.967 30.630 29.700 -0.062 0.000 1.190 484 E HN 0.097 nan 8.360 nan 0.000 0.406 485 Y N 0.217 120.542 120.300 0.042 0.000 2.374 485 Y HA 0.720 5.270 4.550 -0.000 0.000 0.322 485 Y C 0.998 176.911 175.900 0.021 0.000 1.275 485 Y CA 0.198 58.284 58.100 -0.024 0.000 1.307 485 Y CB 1.762 40.241 38.460 0.031 0.000 1.282 485 Y HN 0.620 nan 8.280 nan 0.000 0.509 486 G N 0.443 109.321 108.800 0.130 0.000 2.336 486 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.286 486 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.286 486 G C -1.887 173.147 174.900 0.222 0.000 1.269 486 G CA -1.159 44.089 45.100 0.247 0.000 0.873 486 G HN 0.562 nan 8.290 nan 0.000 0.494 487 N N 1.229 120.042 118.700 0.188 0.000 2.415 487 N HA 0.123 4.863 4.740 -0.000 0.000 0.246 487 N C 1.778 177.328 175.510 0.067 0.000 1.078 487 N CA -0.556 52.586 53.050 0.153 0.000 0.942 487 N CB 0.718 39.277 38.487 0.121 0.000 1.140 487 N HN 0.417 nan 8.380 nan 0.000 0.501 488 M N 3.441 123.065 119.600 0.040 0.000 2.143 488 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 488 M C 1.676 177.979 176.300 0.005 0.000 1.071 488 M CA 1.446 56.746 55.300 -0.001 0.000 1.088 488 M CB -0.587 32.007 32.600 -0.009 0.000 1.360 488 M HN 0.585 nan 8.290 nan 0.000 0.404 489 I N 0.156 120.739 120.570 0.022 0.000 2.353 489 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 489 I C 1.850 177.975 176.117 0.014 0.000 1.119 489 I CA 1.008 62.318 61.300 0.017 0.000 1.417 489 I CB -0.286 37.727 38.000 0.023 0.000 1.078 489 I HN 0.198 nan 8.210 nan 0.000 0.421 490 D N 0.581 120.994 120.400 0.022 0.000 2.149 490 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 490 D C 2.056 178.362 176.300 0.009 0.000 0.972 490 D CA 1.255 55.267 54.000 0.019 0.000 0.835 490 D CB -0.163 40.655 40.800 0.030 0.000 0.966 490 D HN 0.337 nan 8.370 nan 0.000 0.476 491 M N -0.412 119.190 119.600 0.003 0.000 2.659 491 M HA 0.172 4.652 4.480 -0.000 0.000 0.243 491 M C 1.035 177.322 176.300 -0.022 0.000 1.111 491 M CA 0.593 55.883 55.300 -0.015 0.000 1.070 491 M CB 0.101 32.680 32.600 -0.034 0.000 1.525 491 M HN -0.006 nan 8.290 nan 0.000 0.517 492 G N 1.913 110.705 108.800 -0.013 0.000 2.221 492 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.265 492 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.265 492 G C -0.219 174.668 174.900 -0.021 0.000 1.041 492 G CA -0.309 44.783 45.100 -0.014 0.000 0.807 492 G HN 0.416 nan 8.290 nan 0.000 0.502 493 I N 1.014 121.569 120.570 -0.026 0.000 2.503 493 I HA 0.495 4.665 4.170 -0.000 0.000 0.277 493 I C 0.119 176.226 176.117 -0.018 0.000 1.078 493 I CA -1.358 59.923 61.300 -0.032 0.000 1.184 493 I CB 0.235 38.202 38.000 -0.054 0.000 1.353 493 I HN 0.273 nan 8.210 nan 0.000 0.490 494 L N 2.358 123.576 121.223 -0.009 0.000 2.401 494 L HA 0.760 5.100 4.340 -0.000 0.000 0.266 494 L C -0.670 176.201 176.870 0.001 0.000 0.991 494 L CA -0.614 54.225 54.840 -0.001 0.000 0.818 494 L CB 1.734 43.795 42.059 0.005 0.000 1.321 494 L HN -0.005 nan 8.230 nan 0.000 0.413 495 D N 1.916 122.319 120.400 0.005 0.000 2.175 495 D HA 0.489 5.129 4.640 -0.000 0.000 0.248 495 D C -2.446 173.861 176.300 0.012 0.000 1.047 495 D CA -1.393 52.612 54.000 0.008 0.000 0.883 495 D CB 1.572 42.377 40.800 0.008 0.000 1.180 495 D HN 0.405 nan 8.370 nan 0.000 0.438 496 P HA 0.047 nan 4.420 nan 0.000 0.269 496 P C 0.681 177.992 177.300 0.019 0.000 1.217 496 P CA 0.024 63.136 63.100 0.019 0.000 0.783 496 P CB 0.644 32.359 31.700 0.024 0.000 0.898 497 T N 0.529 115.095 114.554 0.019 0.000 2.851 497 T HA -0.108 4.242 4.350 -0.000 0.000 0.262 497 T C 1.647 176.359 174.700 0.019 0.000 1.043 497 T CA 1.049 63.159 62.100 0.018 0.000 1.140 497 T CB -0.394 68.483 68.868 0.016 0.000 0.872 497 T HN 0.430 nan 8.240 nan 0.000 0.446 498 K N 1.089 121.502 120.400 0.022 0.000 2.049 498 K HA -0.221 4.099 4.320 -0.000 0.000 0.219 498 K C 2.301 178.921 176.600 0.032 0.000 1.056 498 K CA 2.218 58.521 56.287 0.026 0.000 0.946 498 K CB -0.758 31.762 32.500 0.033 0.000 0.723 498 K HN 0.274 nan 8.250 nan 0.000 0.453 499 V N -0.463 119.469 119.914 0.031 0.000 2.358 499 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 499 V C 1.760 177.874 176.094 0.034 0.000 1.047 499 V CA 2.467 64.787 62.300 0.033 0.000 1.035 499 V CB -0.720 31.114 31.823 0.019 0.000 0.658 499 V HN 0.476 nan 8.190 nan 0.000 0.452 500 T N 0.761 115.330 114.554 0.025 0.000 2.746 500 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 500 T C 1.933 176.648 174.700 0.026 0.000 1.039 500 T CA 2.197 64.311 62.100 0.024 0.000 1.142 500 T CB -0.384 68.496 68.868 0.019 0.000 0.866 500 T HN 0.693 nan 8.240 nan 0.000 0.444 501 R N 0.996 121.508 120.500 0.020 0.000 2.070 501 R HA -0.087 4.253 4.340 -0.000 0.000 0.233 501 R C 2.539 178.844 176.300 0.009 0.000 1.137 501 R CA 1.891 57.996 56.100 0.008 0.000 0.945 501 R CB -0.532 29.767 30.300 -0.001 0.000 0.845 501 R HN 0.218 nan 8.270 nan 0.000 0.430 502 S N 1.045 116.764 115.700 0.032 0.000 2.359 502 S HA -0.235 4.235 4.470 -0.000 0.000 0.222 502 S C 2.138 176.846 174.600 0.179 0.000 1.038 502 S CA 1.437 59.689 58.200 0.087 0.000 1.051 502 S CB -0.637 62.666 63.200 0.171 0.000 0.944 502 S HN 0.613 nan 8.310 nan 0.000 0.433 503 A N 1.595 124.500 122.820 0.141 0.000 1.909 503 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 503 A C 2.151 179.796 177.584 0.101 0.000 1.223 503 A CA 2.003 54.110 52.037 0.118 0.000 0.658 503 A CB -1.089 17.950 19.000 0.064 0.000 0.831 503 A HN 0.480 nan 8.150 nan 0.000 0.462 504 L N -1.224 120.031 121.223 0.055 0.000 2.056 504 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 504 L C 2.841 179.719 176.870 0.014 0.000 1.078 504 L CA 1.956 56.815 54.840 0.030 0.000 0.749 504 L CB -0.453 41.613 42.059 0.012 0.000 0.901 504 L HN 0.574 nan 8.230 nan 0.000 0.433 505 Q N -1.630 118.152 119.800 -0.030 0.000 2.172 505 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 505 Q C 1.910 177.852 176.000 -0.098 0.000 0.964 505 Q CA 1.423 57.158 55.803 -0.113 0.000 0.855 505 Q CB 0.035 28.638 28.738 -0.225 0.000 0.918 505 Q HN 0.471 nan 8.270 nan 0.000 0.444 506 Y N -0.129 120.172 120.300 0.002 0.000 2.269 506 Y HA -0.025 4.525 4.550 -0.000 0.000 0.294 506 Y C 2.327 178.228 175.900 0.002 0.000 1.120 506 Y CA 0.783 58.884 58.100 0.001 0.000 1.159 506 Y CB -0.552 37.907 38.460 -0.001 0.000 1.024 506 Y HN 0.083 nan 8.280 nan 0.000 0.532 507 A N 0.158 123.084 122.820 0.177 0.000 1.917 507 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 507 A C 2.439 180.063 177.584 0.067 0.000 1.182 507 A CA 2.134 54.227 52.037 0.095 0.000 0.633 507 A CB -1.257 17.782 19.000 0.065 0.000 0.819 507 A HN 0.409 nan 8.150 nan 0.000 0.448 508 A N -0.422 122.427 122.820 0.049 0.000 1.877 508 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 508 A C 2.514 180.116 177.584 0.030 0.000 1.186 508 A CA 2.354 54.407 52.037 0.027 0.000 0.620 508 A CB -1.155 17.849 19.000 0.005 0.000 0.822 508 A HN 0.850 nan 8.150 nan 0.000 0.443 509 S N -0.546 115.175 115.700 0.036 0.000 2.365 509 S HA -0.196 4.274 4.470 -0.000 0.000 0.221 509 S C 1.973 176.606 174.600 0.054 0.000 1.037 509 S CA 2.188 60.413 58.200 0.042 0.000 1.060 509 S CB -0.961 62.276 63.200 0.062 0.000 0.974 509 S HN 0.709 nan 8.310 nan 0.000 0.427 510 V N 1.903 121.862 119.914 0.075 0.000 2.392 510 V HA -0.046 4.074 4.120 -0.000 0.000 0.249 510 V C 2.766 178.885 176.094 0.042 0.000 1.059 510 V CA 2.163 64.498 62.300 0.059 0.000 1.051 510 V CB -1.330 30.528 31.823 0.059 0.000 0.658 510 V HN 0.685 nan 8.190 nan 0.000 0.455 511 A N 0.019 122.862 122.820 0.039 0.000 1.858 511 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 511 A C 2.396 179.995 177.584 0.025 0.000 1.190 511 A CA 1.967 54.022 52.037 0.029 0.000 0.617 511 A CB -1.625 17.391 19.000 0.026 0.000 0.827 511 A HN 0.656 nan 8.150 nan 0.000 0.443 512 G N 0.212 109.027 108.800 0.023 0.000 2.764 512 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 512 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 512 G C 1.373 176.287 174.900 0.023 0.000 1.259 512 G CA 1.547 46.660 45.100 0.020 0.000 0.793 512 G HN 0.351 nan 8.290 nan 0.000 0.633 513 L N 0.444 121.683 121.223 0.027 0.000 2.058 513 L HA -0.263 4.077 4.340 -0.000 0.000 0.226 513 L C 3.152 180.039 176.870 0.027 0.000 1.089 513 L CA 2.302 57.159 54.840 0.028 0.000 0.799 513 L CB -0.813 41.266 42.059 0.033 0.000 0.900 513 L HN 0.378 nan 8.230 nan 0.000 0.442 514 M N -1.889 117.727 119.600 0.027 0.000 2.117 514 M HA -0.217 4.263 4.480 -0.000 0.000 0.262 514 M C 2.274 178.588 176.300 0.023 0.000 1.065 514 M CA 1.704 57.019 55.300 0.026 0.000 1.114 514 M CB -0.548 32.067 32.600 0.025 0.000 1.361 514 M HN 0.177 nan 8.290 nan 0.000 0.408 515 I N 0.327 120.910 120.570 0.021 0.000 2.530 515 I HA -0.201 3.969 4.170 -0.000 0.000 0.257 515 I C 1.607 177.736 176.117 0.020 0.000 1.179 515 I CA 1.270 62.581 61.300 0.018 0.000 1.440 515 I CB -0.486 37.523 38.000 0.015 0.000 1.087 515 I HN 0.384 nan 8.210 nan 0.000 0.440 516 T N -3.455 111.112 114.554 0.022 0.000 3.269 516 T HA 0.233 4.583 4.350 -0.000 0.000 0.269 516 T C 0.388 175.106 174.700 0.030 0.000 0.993 516 T CA -0.378 61.736 62.100 0.024 0.000 0.909 516 T CB -0.328 68.553 68.868 0.021 0.000 1.115 516 T HN -0.094 nan 8.240 nan 0.000 0.543 517 T N 2.096 116.670 114.554 0.032 0.000 2.795 517 T HA 0.358 4.708 4.350 -0.000 0.000 0.282 517 T C 0.496 175.226 174.700 0.050 0.000 0.980 517 T CA -0.542 61.582 62.100 0.039 0.000 1.012 517 T CB 1.567 70.457 68.868 0.036 0.000 0.936 517 T HN 0.116 nan 8.240 nan 0.000 0.457 518 E N 0.651 120.892 120.200 0.069 0.000 2.562 518 E HA 0.207 4.557 4.350 -0.000 0.000 0.214 518 E C -0.046 176.651 176.600 0.162 0.000 0.979 518 E CA 0.070 56.533 56.400 0.104 0.000 1.002 518 E CB 0.688 30.451 29.700 0.104 0.000 1.048 518 E HN 0.583 nan 8.360 nan 0.000 0.488 519 C N 0.460 119.820 119.300 0.099 0.000 3.199 519 C HA 0.582 5.042 4.460 -0.000 0.000 0.392 519 C C -1.681 173.297 174.990 -0.019 0.000 1.050 519 C CA -0.641 58.396 59.018 0.031 0.000 1.222 519 C CB 0.052 27.867 27.740 0.125 0.000 1.595 519 C HN 0.102 nan 8.230 nan 0.000 0.560 520 M N 5.053 124.612 119.600 -0.068 0.000 2.393 520 M HA 0.666 5.146 4.480 -0.000 0.000 0.299 520 M C -1.077 175.272 176.300 0.081 0.000 1.103 520 M CA -0.656 54.679 55.300 0.058 0.000 0.910 520 M CB 2.241 34.958 32.600 0.195 0.000 1.659 520 M HN 0.436 nan 8.290 nan 0.000 0.445 521 V N 1.387 121.325 119.914 0.041 0.000 2.525 521 V HA 0.797 4.917 4.120 -0.000 0.000 0.299 521 V C -0.414 175.633 176.094 -0.079 0.000 1.034 521 V CA -0.293 62.000 62.300 -0.012 0.000 0.863 521 V CB 2.083 33.890 31.823 -0.026 0.000 0.999 521 V HN 0.980 nan 8.190 nan 0.000 0.423 522 T N 2.292 116.759 114.554 -0.144 0.000 2.769 522 T HA 0.396 4.746 4.350 -0.000 0.000 0.306 522 T C -1.321 173.266 174.700 -0.188 0.000 1.400 522 T CA -0.559 61.402 62.100 -0.232 0.000 1.007 522 T CB 1.857 70.424 68.868 -0.502 0.000 1.392 522 T HN 0.606 nan 8.240 nan 0.000 0.500 523 D N 1.268 121.567 120.400 -0.167 0.000 2.382 523 D HA 0.345 4.985 4.640 -0.000 0.000 0.240 523 D C 0.187 176.420 176.300 -0.112 0.000 1.146 523 D CA -0.023 53.910 54.000 -0.112 0.000 0.897 523 D CB 0.428 41.177 40.800 -0.085 0.000 1.197 523 D HN 0.399 nan 8.370 nan 0.000 0.432 524 L N 3.381 124.567 121.223 -0.061 0.000 2.499 524 L HA 0.146 4.486 4.340 -0.000 0.000 0.273 524 L C -1.261 175.587 176.870 -0.037 0.000 1.195 524 L CA -1.488 53.332 54.840 -0.034 0.000 0.882 524 L CB -0.077 41.972 42.059 -0.016 0.000 1.133 524 L HN 0.403 nan 8.230 nan 0.000 0.483 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.089 63.100 -0.019 0.000 0.800 525 P CB 0.000 31.702 31.700 0.004 0.000 0.726