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 1pcq_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 0.000 177.577 177.584 -0.012 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 3 A N 3.057 125.873 122.820 -0.008 0.000 2.567 3 A HA 0.494 4.814 4.320 -0.000 0.000 0.240 3 A C 0.432 178.009 177.584 -0.012 0.000 1.053 3 A CA 0.443 52.478 52.037 -0.004 0.000 0.755 3 A CB -0.035 18.966 19.000 0.001 0.000 0.978 3 A HN 0.640 nan 8.150 nan 0.000 0.507 4 K N 1.576 121.970 120.400 -0.010 0.000 2.139 4 K HA 0.430 4.750 4.320 -0.000 0.000 0.243 4 K C -1.000 175.597 176.600 -0.006 0.000 0.983 4 K CA -0.737 55.536 56.287 -0.023 0.000 0.890 4 K CB 1.199 33.682 32.500 -0.028 0.000 1.090 4 K HN 0.717 nan 8.250 nan 0.000 0.445 5 D N 0.788 121.183 120.400 -0.009 0.000 2.217 5 D HA 0.331 4.971 4.640 -0.000 0.000 0.243 5 D C -1.318 175.048 176.300 0.109 0.000 1.054 5 D CA -0.636 53.401 54.000 0.062 0.000 0.838 5 D CB 1.319 42.181 40.800 0.103 0.000 1.162 5 D HN 0.063 nan 8.370 nan 0.000 0.472 6 V N 4.218 124.165 119.914 0.055 0.000 2.444 6 V HA 0.425 4.545 4.120 -0.000 0.000 0.294 6 V C 0.100 176.037 176.094 -0.261 0.000 1.022 6 V CA -0.788 61.444 62.300 -0.113 0.000 0.850 6 V CB 1.688 33.380 31.823 -0.218 0.000 0.992 6 V HN 0.411 nan 8.190 nan 0.000 0.426 7 K N 3.449 123.646 120.400 -0.338 0.000 2.259 7 K HA 0.749 5.069 4.320 -0.000 0.000 0.252 7 K C -1.587 174.695 176.600 -0.530 0.000 0.936 7 K CA -0.441 55.583 56.287 -0.438 0.000 0.810 7 K CB 1.925 34.054 32.500 -0.618 0.000 1.143 7 K HN 0.509 nan 8.250 nan 0.000 0.427 8 F N 1.155 121.069 119.950 -0.059 0.000 2.520 8 F HA 0.394 4.921 4.527 0.000 0.000 0.322 8 F C 1.154 176.929 175.800 -0.042 0.000 1.103 8 F CA 0.096 58.077 58.000 -0.032 0.000 0.926 8 F CB 2.058 41.047 39.000 -0.018 0.000 1.154 8 F HN 0.838 nan 8.300 nan 0.000 0.453 9 G N 2.853 111.770 108.800 0.196 0.000 2.602 9 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.310 9 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.310 9 G C 0.992 175.920 174.900 0.045 0.000 1.183 9 G CA 1.120 46.283 45.100 0.104 0.000 0.979 9 G HN 0.701 nan 8.290 nan 0.000 0.545 10 N N 0.958 119.676 118.700 0.030 0.000 2.025 10 N HA -0.068 4.672 4.740 -0.000 0.000 0.194 10 N C 1.887 177.383 175.510 -0.023 0.000 1.044 10 N CA 2.272 55.324 53.050 0.004 0.000 0.851 10 N CB -0.347 38.141 38.487 0.002 0.000 1.036 10 N HN 0.557 nan 8.380 nan 0.000 0.422 11 D N 0.180 120.559 120.400 -0.036 0.000 2.154 11 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 11 D C 1.777 177.985 176.300 -0.153 0.000 1.003 11 D CA 1.670 55.613 54.000 -0.096 0.000 0.849 11 D CB -0.860 39.872 40.800 -0.114 0.000 0.942 11 D HN 0.433 nan 8.370 nan 0.000 0.446 12 A N 0.527 123.263 122.820 -0.141 0.000 1.940 12 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 12 A C 2.203 179.739 177.584 -0.081 0.000 1.176 12 A CA 1.595 53.534 52.037 -0.165 0.000 0.631 12 A CB -0.378 18.569 19.000 -0.088 0.000 0.814 12 A HN 0.150 nan 8.150 nan 0.000 0.446 13 R N -1.192 119.283 120.500 -0.041 0.000 2.066 13 R HA 0.029 4.368 4.340 -0.000 0.000 0.224 13 R C 2.059 178.348 176.300 -0.019 0.000 1.122 13 R CA 1.058 57.150 56.100 -0.013 0.000 0.974 13 R CB -0.552 29.748 30.300 0.001 0.000 0.871 13 R HN 0.332 nan 8.270 nan 0.000 0.435 14 V N 1.971 121.866 119.914 -0.031 0.000 2.317 14 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 14 V C 2.174 178.250 176.094 -0.030 0.000 1.065 14 V CA 1.758 64.041 62.300 -0.029 0.000 1.049 14 V CB -0.380 31.422 31.823 -0.037 0.000 0.651 14 V HN 0.212 nan 8.190 nan 0.000 0.450 15 K N -0.753 119.612 120.400 -0.058 0.000 1.985 15 K HA -0.098 4.222 4.320 -0.000 0.000 0.210 15 K C 2.094 178.705 176.600 0.018 0.000 1.047 15 K CA 1.668 57.934 56.287 -0.034 0.000 0.932 15 K CB -0.779 31.660 32.500 -0.101 0.000 0.716 15 K HN 0.379 nan 8.250 nan 0.000 0.439 16 M N 0.246 119.860 119.600 0.024 0.000 2.144 16 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 16 M C 1.985 178.302 176.300 0.028 0.000 1.067 16 M CA 1.208 56.533 55.300 0.042 0.000 1.095 16 M CB -0.192 32.432 32.600 0.040 0.000 1.365 16 M HN 0.078 nan 8.290 nan 0.000 0.406 17 L N 0.481 121.714 121.223 0.016 0.000 1.976 17 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 17 L C 2.334 179.212 176.870 0.014 0.000 1.071 17 L CA 1.949 56.796 54.840 0.013 0.000 0.746 17 L CB -0.722 41.341 42.059 0.007 0.000 0.890 17 L HN 0.204 nan 8.230 nan 0.000 0.432 18 R N -0.365 120.143 120.500 0.012 0.000 2.117 18 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 18 R C 2.163 178.475 176.300 0.019 0.000 1.143 18 R CA 1.267 57.375 56.100 0.013 0.000 0.968 18 R CB -1.265 29.042 30.300 0.012 0.000 0.863 18 R HN 0.628 nan 8.270 nan 0.000 0.444 19 G N 0.941 109.757 108.800 0.027 0.000 2.514 19 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 19 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 19 G C 1.442 176.355 174.900 0.021 0.000 1.198 19 G CA 1.019 46.137 45.100 0.030 0.000 0.780 19 G HN 0.295 nan 8.290 nan 0.000 0.565 20 V N 1.083 121.009 119.914 0.020 0.000 2.270 20 V HA -0.194 3.925 4.120 -0.000 0.000 0.245 20 V C 2.298 178.399 176.094 0.012 0.000 1.043 20 V CA 2.764 65.074 62.300 0.016 0.000 1.014 20 V CB -0.910 30.923 31.823 0.018 0.000 0.645 20 V HN 0.542 nan 8.190 nan 0.000 0.447 21 N N -0.340 118.368 118.700 0.012 0.000 2.069 21 N HA -0.237 4.502 4.740 -0.000 0.000 0.196 21 N C 1.777 177.292 175.510 0.008 0.000 1.024 21 N CA 2.043 55.098 53.050 0.009 0.000 0.869 21 N CB -0.333 38.159 38.487 0.008 0.000 1.035 21 N HN 0.464 nan 8.380 nan 0.000 0.434 22 V N 1.669 121.588 119.914 0.009 0.000 2.287 22 V HA -0.219 3.900 4.120 -0.000 0.000 0.248 22 V C 2.228 178.326 176.094 0.006 0.000 1.053 22 V CA 1.368 63.672 62.300 0.007 0.000 1.027 22 V CB -0.608 31.221 31.823 0.009 0.000 0.646 22 V HN 0.403 nan 8.190 nan 0.000 0.447 23 L N 0.052 121.279 121.223 0.006 0.000 1.989 23 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 23 L C 2.596 179.467 176.870 0.003 0.000 1.071 23 L CA 2.469 57.311 54.840 0.003 0.000 0.749 23 L CB -0.761 41.300 42.059 0.004 0.000 0.890 23 L HN 0.387 nan 8.230 nan 0.000 0.431 24 A N -0.456 122.367 122.820 0.005 0.000 1.902 24 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 24 A C 1.822 179.408 177.584 0.004 0.000 1.181 24 A CA 1.983 54.023 52.037 0.005 0.000 0.623 24 A CB -0.672 18.332 19.000 0.007 0.000 0.818 24 A HN 0.519 nan 8.150 nan 0.000 0.443 25 D N -0.210 120.192 120.400 0.004 0.000 2.219 25 D HA 0.016 4.656 4.640 -0.000 0.000 0.205 25 D C 2.092 178.393 176.300 0.002 0.000 0.970 25 D CA 1.278 55.280 54.000 0.003 0.000 0.851 25 D CB -0.218 40.584 40.800 0.003 0.000 0.943 25 D HN 0.448 nan 8.370 nan 0.000 0.488 26 A N 0.132 122.953 122.820 0.001 0.000 1.898 26 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 26 A C 2.281 179.865 177.584 -0.001 0.000 1.183 26 A CA 0.693 52.730 52.037 -0.000 0.000 0.622 26 A CB -0.389 18.611 19.000 -0.001 0.000 0.824 26 A HN 0.176 nan 8.150 nan 0.000 0.444 27 V N 0.909 120.822 119.914 -0.001 0.000 2.878 27 V HA -0.090 4.030 4.120 -0.000 0.000 0.250 27 V C 2.326 178.419 176.094 -0.001 0.000 1.075 27 V CA 1.859 64.158 62.300 -0.003 0.000 1.096 27 V CB -0.382 31.438 31.823 -0.004 0.000 0.724 27 V HN 0.783 nan 8.190 nan 0.000 0.467 28 K N 0.651 121.052 120.400 0.000 0.000 2.365 28 K HA -0.039 4.281 4.320 -0.000 0.000 0.199 28 K C 1.528 178.129 176.600 0.002 0.000 1.045 28 K CA 1.659 57.947 56.287 0.002 0.000 0.962 28 K CB -0.437 32.065 32.500 0.003 0.000 0.759 28 K HN 0.496 nan 8.250 nan 0.000 0.469 29 V N -0.294 119.621 119.914 0.001 0.000 3.510 29 V HA -0.038 4.082 4.120 -0.000 0.000 0.270 29 V C 1.739 177.833 176.094 0.000 0.000 1.201 29 V CA 1.271 63.572 62.300 0.001 0.000 1.166 29 V CB -0.842 30.982 31.823 0.001 0.000 0.825 29 V HN 0.492 nan 8.190 nan 0.000 0.484 30 T N -3.331 111.222 114.554 -0.001 0.000 3.069 30 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 30 T C 1.413 176.112 174.700 -0.002 0.000 1.053 30 T CA 0.472 62.571 62.100 -0.002 0.000 0.964 30 T CB 0.487 69.353 68.868 -0.004 0.000 1.005 30 T HN 0.323 nan 8.240 nan 0.000 0.532 31 L N 2.724 123.947 121.223 -0.000 0.000 2.005 31 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 31 L C 1.717 178.587 176.870 0.000 0.000 1.072 31 L CA 1.457 56.298 54.840 0.000 0.000 0.744 31 L CB -1.370 40.691 42.059 0.003 0.000 0.895 31 L HN 0.399 nan 8.230 nan 0.000 0.433 32 G N -0.468 108.333 108.800 0.003 0.000 2.492 32 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.308 32 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.308 32 G C -1.560 173.335 174.900 -0.008 0.000 1.323 32 G CA 0.343 45.444 45.100 0.002 0.000 1.132 32 G HN 0.420 nan 8.290 nan 0.000 0.630 33 P HA 0.148 nan 4.420 nan 0.000 0.245 33 P C 0.284 177.573 177.300 -0.017 0.000 1.206 33 P CA 0.808 63.895 63.100 -0.021 0.000 0.781 33 P CB 0.530 32.209 31.700 -0.035 0.000 0.994 34 K N 0.789 121.182 120.400 -0.011 0.000 3.163 34 K HA 0.334 4.654 4.320 -0.000 0.000 0.186 34 K C 0.608 177.207 176.600 -0.001 0.000 1.111 34 K CA -0.350 55.932 56.287 -0.007 0.000 0.918 34 K CB 1.168 33.665 32.500 -0.005 0.000 1.059 34 K HN -0.011 nan 8.250 nan 0.000 0.558 35 G N 1.188 109.986 108.800 -0.003 0.000 2.594 35 G HA2 0.081 4.041 3.960 -0.000 0.000 0.243 35 G HA3 0.081 4.041 3.960 -0.000 0.000 0.243 35 G C 0.224 175.124 174.900 -0.001 0.000 1.229 35 G CA -0.464 44.635 45.100 -0.001 0.000 0.843 35 G HN 0.212 nan 8.290 nan 0.000 0.578 36 R N 0.319 120.818 120.500 -0.000 0.000 2.577 36 R HA 0.179 4.519 4.340 -0.000 0.000 0.269 36 R C 0.504 176.803 176.300 -0.001 0.000 1.084 36 R CA -0.414 55.686 56.100 -0.000 0.000 1.163 36 R CB 0.325 30.625 30.300 0.000 0.000 1.100 36 R HN 0.732 nan 8.270 nan 0.000 0.547 37 N N -0.071 118.628 118.700 -0.002 0.000 2.489 37 N HA 0.358 5.098 4.740 -0.000 0.000 0.284 37 N C -0.680 174.829 175.510 -0.002 0.000 1.158 37 N CA -0.659 52.390 53.050 -0.002 0.000 0.965 37 N CB 1.565 40.050 38.487 -0.002 0.000 1.195 37 N HN 0.058 nan 8.380 nan 0.000 0.506 38 V N 1.221 121.133 119.914 -0.002 0.000 2.604 38 V HA 0.272 4.392 4.120 -0.000 0.000 0.305 38 V C -0.093 175.999 176.094 -0.002 0.000 1.043 38 V CA -0.841 61.458 62.300 -0.002 0.000 0.888 38 V CB 2.063 33.884 31.823 -0.003 0.000 0.995 38 V HN 0.397 nan 8.190 nan 0.000 0.429 39 V N 5.822 125.734 119.914 -0.002 0.000 2.370 39 V HA 0.440 4.560 4.120 -0.000 0.000 0.279 39 V C -0.566 175.527 176.094 -0.002 0.000 1.029 39 V CA -0.547 61.752 62.300 -0.002 0.000 0.870 39 V CB 1.402 33.223 31.823 -0.002 0.000 0.984 39 V HN 0.489 nan 8.190 nan 0.000 0.451 40 L N 4.275 125.497 121.223 -0.001 0.000 2.316 40 L HA 0.510 4.850 4.340 -0.000 0.000 0.280 40 L C 0.072 176.942 176.870 0.001 0.000 1.006 40 L CA -0.271 54.568 54.840 -0.001 0.000 0.836 40 L CB 1.035 43.093 42.059 -0.001 0.000 1.221 40 L HN 0.608 nan 8.230 nan 0.000 0.418 41 D N 3.348 123.747 120.400 -0.001 0.000 2.362 41 D HA 0.212 4.852 4.640 -0.000 0.000 0.238 41 D C -0.149 176.155 176.300 0.006 0.000 1.212 41 D CA 0.428 54.428 54.000 -0.001 0.000 0.902 41 D CB 0.836 41.632 40.800 -0.007 0.000 1.180 41 D HN 0.417 nan 8.370 nan 0.000 0.445 42 K N 0.301 120.708 120.400 0.011 0.000 2.546 42 K HA 0.256 4.576 4.320 -0.000 0.000 0.264 42 K C 0.438 177.060 176.600 0.037 0.000 0.937 42 K CA -0.544 55.762 56.287 0.032 0.000 0.833 42 K CB 1.289 33.813 32.500 0.041 0.000 1.378 42 K HN 0.366 nan 8.250 nan 0.000 0.432 43 S N 1.673 117.418 115.700 0.076 0.000 2.436 43 S HA -0.002 4.468 4.470 -0.000 0.000 0.208 43 S C 0.549 175.134 174.600 -0.024 0.000 1.063 43 S CA 0.851 59.059 58.200 0.014 0.000 1.120 43 S CB -0.494 62.781 63.200 0.124 0.000 1.053 43 S HN 0.448 nan 8.310 nan 0.000 0.407 44 F N 2.329 122.273 119.950 -0.010 0.000 2.429 44 F HA 0.541 5.067 4.527 -0.000 0.000 0.348 44 F C 1.429 177.224 175.800 -0.009 0.000 1.109 44 F CA 0.180 58.175 58.000 -0.009 0.000 1.232 44 F CB -0.527 38.468 39.000 -0.009 0.000 1.157 44 F HN 0.663 nan 8.300 nan 0.000 0.564 45 G N 0.726 109.612 108.800 0.142 0.000 2.693 45 G HA2 0.188 4.148 3.960 -0.000 0.000 0.226 45 G HA3 0.188 4.148 3.960 -0.000 0.000 0.226 45 G C -0.571 174.355 174.900 0.044 0.000 1.354 45 G CA -0.747 44.402 45.100 0.082 0.000 0.873 45 G HN 1.145 nan 8.290 nan 0.000 0.562 46 A N 1.124 123.963 122.820 0.032 0.000 2.351 46 A HA 0.771 5.091 4.320 -0.000 0.000 0.257 46 A C -0.673 176.921 177.584 0.017 0.000 1.087 46 A CA 0.049 52.096 52.037 0.018 0.000 0.798 46 A CB -0.103 18.905 19.000 0.014 0.000 1.033 46 A HN 0.933 nan 8.150 nan 0.000 0.488 47 P HA 0.256 nan 4.420 nan 0.000 0.275 47 P C -0.366 176.939 177.300 0.008 0.000 1.270 47 P CA -0.045 63.059 63.100 0.008 0.000 0.791 47 P CB 0.334 32.036 31.700 0.002 0.000 1.089 48 T N 0.639 115.196 114.554 0.006 0.000 2.779 48 T HA 0.530 4.880 4.350 -0.000 0.000 0.280 48 T C 0.083 174.783 174.700 0.001 0.000 0.987 48 T CA -0.359 61.744 62.100 0.004 0.000 0.966 48 T CB 0.094 68.964 68.868 0.004 0.000 0.933 48 T HN 0.161 nan 8.240 nan 0.000 0.442 49 I N 2.698 123.268 120.570 0.000 0.000 2.336 49 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 49 I C 0.417 176.533 176.117 -0.002 0.000 0.991 49 I CA -0.578 60.721 61.300 -0.001 0.000 1.227 49 I CB 1.733 39.732 38.000 -0.001 0.000 1.366 49 I HN 0.439 nan 8.210 nan 0.000 0.466 50 T N 4.227 118.779 114.554 -0.003 0.000 2.916 50 T HA 0.324 4.674 4.350 -0.000 0.000 0.305 50 T C -0.025 174.672 174.700 -0.004 0.000 1.119 50 T CA -0.545 61.553 62.100 -0.004 0.000 1.008 50 T CB 1.741 70.606 68.868 -0.004 0.000 1.129 50 T HN 0.648 nan 8.240 nan 0.000 0.480 51 K N 1.731 122.128 120.400 -0.005 0.000 2.440 51 K HA 0.238 4.558 4.320 -0.000 0.000 0.206 51 K C -0.501 176.096 176.600 -0.006 0.000 1.025 51 K CA -0.131 56.153 56.287 -0.005 0.000 1.135 51 K CB 0.419 32.916 32.500 -0.006 0.000 0.856 51 K HN 0.392 nan 8.250 nan 0.000 0.502 52 D N -0.539 119.857 120.400 -0.007 0.000 2.472 52 D HA 0.158 4.798 4.640 -0.000 0.000 0.234 52 D C 1.166 177.460 176.300 -0.010 0.000 1.088 52 D CA -0.416 53.579 54.000 -0.009 0.000 0.882 52 D CB 1.085 41.880 40.800 -0.009 0.000 1.037 52 D HN 0.155 nan 8.370 nan 0.000 0.520 53 G N 2.323 111.117 108.800 -0.010 0.000 2.556 53 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 53 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 53 G C 1.554 176.446 174.900 -0.014 0.000 1.156 53 G CA 1.190 46.283 45.100 -0.011 0.000 0.766 53 G HN 0.474 nan 8.290 nan 0.000 0.583 54 V N 0.583 120.486 119.914 -0.017 0.000 2.282 54 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 54 V C 3.081 179.165 176.094 -0.017 0.000 1.057 54 V CA 2.363 64.651 62.300 -0.021 0.000 1.032 54 V CB -0.680 31.128 31.823 -0.025 0.000 0.645 54 V HN 0.402 nan 8.190 nan 0.000 0.447 55 S N -0.668 115.024 115.700 -0.014 0.000 2.382 55 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 55 S C 1.933 176.526 174.600 -0.011 0.000 1.027 55 S CA 1.416 59.608 58.200 -0.012 0.000 0.991 55 S CB -0.082 63.112 63.200 -0.010 0.000 0.823 55 S HN 0.382 nan 8.310 nan 0.000 0.469 56 V N 1.757 121.665 119.914 -0.010 0.000 2.270 56 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 56 V C 2.640 178.728 176.094 -0.009 0.000 1.043 56 V CA 1.668 63.963 62.300 -0.008 0.000 1.014 56 V CB -1.253 30.566 31.823 -0.007 0.000 0.645 56 V HN 0.522 nan 8.190 nan 0.000 0.447 57 A N 0.377 123.190 122.820 -0.011 0.000 1.884 57 A HA -0.354 3.966 4.320 -0.000 0.000 0.219 57 A C 2.361 179.937 177.584 -0.013 0.000 1.197 57 A CA 2.610 54.639 52.037 -0.012 0.000 0.637 57 A CB -0.762 18.228 19.000 -0.016 0.000 0.827 57 A HN 0.522 nan 8.150 nan 0.000 0.450 58 R N -0.704 119.787 120.500 -0.015 0.000 2.154 58 R HA -0.238 4.101 4.340 -0.000 0.000 0.248 58 R C 1.801 178.093 176.300 -0.014 0.000 1.155 58 R CA 2.056 58.147 56.100 -0.015 0.000 0.979 58 R CB -0.201 30.089 30.300 -0.017 0.000 0.869 58 R HN 0.501 nan 8.270 nan 0.000 0.452 59 E N -0.151 120.042 120.200 -0.011 0.000 2.299 59 E HA 0.072 4.422 4.350 -0.000 0.000 0.193 59 E C -0.064 176.532 176.600 -0.008 0.000 0.998 59 E CA 0.192 56.586 56.400 -0.009 0.000 0.851 59 E CB 0.215 29.911 29.700 -0.007 0.000 0.795 59 E HN 0.201 nan 8.360 nan 0.000 0.492 60 I N 1.993 122.558 120.570 -0.008 0.000 2.533 60 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 60 I C 0.190 176.304 176.117 -0.006 0.000 1.109 60 I CA 0.515 61.812 61.300 -0.006 0.000 1.412 60 I CB 0.235 38.233 38.000 -0.004 0.000 1.396 60 I HN 0.083 nan 8.210 nan 0.000 0.543 61 E N 6.879 127.076 120.200 -0.005 0.000 2.343 61 E HA 0.473 4.823 4.350 -0.000 0.000 0.286 61 E C -1.839 174.759 176.600 -0.004 0.000 0.915 61 E CA -0.569 55.828 56.400 -0.006 0.000 0.784 61 E CB 1.778 31.473 29.700 -0.009 0.000 1.251 61 E HN 0.451 nan 8.360 nan 0.000 0.407 62 L N 3.217 124.439 121.223 -0.002 0.000 2.332 62 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 62 L C 1.457 178.327 176.870 0.001 0.000 1.016 62 L CA -0.554 54.288 54.840 0.004 0.000 0.809 62 L CB 1.507 43.574 42.059 0.013 0.000 1.280 62 L HN 0.746 nan 8.230 nan 0.000 0.447 63 E N 0.394 120.598 120.200 0.006 0.000 2.033 63 E HA -0.153 4.197 4.350 -0.000 0.000 0.189 63 E C 0.430 177.034 176.600 0.007 0.000 0.979 63 E CA 0.369 56.771 56.400 0.003 0.000 0.802 63 E CB 0.253 29.956 29.700 0.005 0.000 0.763 63 E HN 0.643 nan 8.360 nan 0.000 0.449 64 D N 1.995 122.411 120.400 0.027 0.000 2.356 64 D HA -0.036 4.604 4.640 -0.000 0.000 0.272 64 D C -0.666 175.664 176.300 0.050 0.000 1.337 64 D CA 0.178 54.213 54.000 0.058 0.000 0.970 64 D CB 0.277 41.126 40.800 0.082 0.000 1.092 64 D HN 0.107 nan 8.370 nan 0.000 0.516 65 K N 2.754 123.143 120.400 -0.018 0.000 2.344 65 K HA 0.092 4.412 4.320 -0.000 0.000 0.260 65 K C 0.596 177.159 176.600 -0.062 0.000 0.988 65 K CA -0.384 55.826 56.287 -0.128 0.000 0.909 65 K CB 0.674 33.005 32.500 -0.281 0.000 0.968 65 K HN 0.347 nan 8.250 nan 0.000 0.505 66 F N -1.528 118.409 119.950 -0.021 0.000 2.516 66 F HA -0.351 4.176 4.527 -0.000 0.000 0.759 66 F C 1.983 177.774 175.800 -0.016 0.000 0.485 66 F CA 1.624 59.610 58.000 -0.023 0.000 0.787 66 F CB -1.478 37.506 39.000 -0.027 0.000 1.625 66 F HN 0.757 nan 8.300 nan 0.000 0.280 67 E N 0.316 120.650 120.200 0.224 0.000 2.068 67 E HA -0.338 4.012 4.350 -0.000 0.000 0.207 67 E C 1.604 178.245 176.600 0.069 0.000 1.032 67 E CA 2.105 58.569 56.400 0.108 0.000 0.839 67 E CB -0.389 29.360 29.700 0.082 0.000 0.758 67 E HN 0.455 nan 8.360 nan 0.000 0.457 68 N N -0.227 118.501 118.700 0.048 0.000 2.094 68 N HA -0.198 4.541 4.740 -0.000 0.000 0.191 68 N C 1.725 177.243 175.510 0.012 0.000 1.023 68 N CA 1.684 54.743 53.050 0.015 0.000 0.857 68 N CB -0.046 38.434 38.487 -0.012 0.000 1.013 68 N HN 0.152 nan 8.380 nan 0.000 0.426 69 M N -0.712 118.898 119.600 0.017 0.000 2.067 69 M HA -0.072 4.408 4.480 -0.000 0.000 0.260 69 M C 2.271 178.589 176.300 0.031 0.000 1.069 69 M CA 1.702 57.011 55.300 0.015 0.000 1.117 69 M CB -0.941 31.673 32.600 0.022 0.000 1.334 69 M HN 0.320 nan 8.290 nan 0.000 0.407 70 G N 0.342 109.173 108.800 0.050 0.000 2.599 70 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 70 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 70 G C 1.587 176.503 174.900 0.027 0.000 1.193 70 G CA 1.595 46.720 45.100 0.042 0.000 0.778 70 G HN 0.569 nan 8.290 nan 0.000 0.589 71 A N -0.549 122.284 122.820 0.022 0.000 1.898 71 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 71 A C 2.378 179.966 177.584 0.007 0.000 1.181 71 A CA 1.954 53.998 52.037 0.013 0.000 0.620 71 A CB -0.388 18.618 19.000 0.010 0.000 0.819 71 A HN 0.333 nan 8.150 nan 0.000 0.442 72 Q N -0.888 118.915 119.800 0.005 0.000 2.297 72 Q HA -0.135 4.205 4.340 -0.000 0.000 0.208 72 Q C 1.958 177.957 176.000 -0.001 0.000 0.981 72 Q CA 1.379 57.180 55.803 -0.002 0.000 0.876 72 Q CB -0.427 28.307 28.738 -0.006 0.000 0.921 72 Q HN 0.780 nan 8.270 nan 0.000 0.446 73 M N -0.853 118.751 119.600 0.007 0.000 2.115 73 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 73 M C 2.219 178.523 176.300 0.008 0.000 1.079 73 M CA 0.938 56.244 55.300 0.011 0.000 1.143 73 M CB -0.159 32.453 32.600 0.021 0.000 1.332 73 M HN -0.066 nan 8.290 nan 0.000 0.421 74 V N 0.807 120.728 119.914 0.011 0.000 2.282 74 V HA -0.362 3.758 4.120 -0.000 0.000 0.249 74 V C 2.152 178.240 176.094 -0.009 0.000 1.057 74 V CA 1.956 64.261 62.300 0.007 0.000 1.032 74 V CB -0.873 30.957 31.823 0.011 0.000 0.645 74 V HN 0.449 nan 8.190 nan 0.000 0.447 75 K N -0.470 119.923 120.400 -0.012 0.000 2.074 75 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 75 K C 2.289 178.865 176.600 -0.041 0.000 1.048 75 K CA 1.986 58.259 56.287 -0.024 0.000 0.926 75 K CB -0.209 32.280 32.500 -0.018 0.000 0.713 75 K HN 0.569 nan 8.250 nan 0.000 0.444 76 E N 0.439 120.617 120.200 -0.037 0.000 2.107 76 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 76 E C 1.994 178.533 176.600 -0.101 0.000 0.982 76 E CA 0.629 56.997 56.400 -0.053 0.000 0.809 76 E CB 0.258 29.940 29.700 -0.030 0.000 0.756 76 E HN 0.043 nan 8.360 nan 0.000 0.459 77 V N 1.072 120.934 119.914 -0.086 0.000 2.270 77 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 77 V C 2.414 178.349 176.094 -0.265 0.000 1.043 77 V CA 1.918 64.135 62.300 -0.138 0.000 1.014 77 V CB -0.562 31.266 31.823 0.009 0.000 0.645 77 V HN 0.410 nan 8.190 nan 0.000 0.447 78 A N -0.896 121.846 122.820 -0.131 0.000 1.940 78 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 78 A C 2.555 180.049 177.584 -0.151 0.000 1.176 78 A CA 2.323 54.293 52.037 -0.112 0.000 0.631 78 A CB -0.833 18.139 19.000 -0.048 0.000 0.814 78 A HN 0.547 nan 8.150 nan 0.000 0.446 79 S N -0.627 114.987 115.700 -0.143 0.000 2.368 79 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 79 S C 2.049 176.532 174.600 -0.196 0.000 1.030 79 S CA 1.923 60.044 58.200 -0.132 0.000 0.999 79 S CB -0.303 62.841 63.200 -0.092 0.000 0.844 79 S HN 0.594 nan 8.310 nan 0.000 0.459 80 K N 0.489 120.691 120.400 -0.330 0.000 2.097 80 K HA 0.046 4.366 4.320 -0.000 0.000 0.205 80 K C 2.350 178.650 176.600 -0.501 0.000 1.050 80 K CA 0.891 56.906 56.287 -0.453 0.000 0.938 80 K CB -0.450 31.652 32.500 -0.664 0.000 0.718 80 K HN 0.451 nan 8.250 nan 0.000 0.442 81 A N 2.038 124.504 122.820 -0.590 0.000 1.869 81 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 81 A C 1.976 179.524 177.584 -0.059 0.000 1.203 81 A CA 2.100 54.060 52.037 -0.128 0.000 0.638 81 A CB -1.006 17.985 19.000 -0.014 0.000 0.831 81 A HN 0.379 nan 8.150 nan 0.000 0.450 82 N N -0.007 118.633 118.700 -0.099 0.000 2.137 82 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 82 N C 0.902 176.360 175.510 -0.086 0.000 1.017 82 N CA 1.802 54.798 53.050 -0.090 0.000 0.859 82 N CB -0.351 38.080 38.487 -0.093 0.000 1.002 82 N HN 0.468 nan 8.380 nan 0.000 0.428 83 D N -0.129 120.225 120.400 -0.077 0.000 2.269 83 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 83 D C 0.872 177.177 176.300 0.008 0.000 0.963 83 D CA 0.563 54.541 54.000 -0.038 0.000 0.864 83 D CB -0.049 40.724 40.800 -0.045 0.000 0.936 83 D HN 0.303 nan 8.370 nan 0.000 0.505 84 A N -0.860 121.975 122.820 0.026 0.000 2.574 84 A HA 0.705 5.025 4.320 -0.000 0.000 0.283 84 A C 1.016 178.644 177.584 0.073 0.000 1.270 84 A CA 0.505 52.590 52.037 0.080 0.000 0.945 84 A CB 0.439 19.536 19.000 0.161 0.000 1.127 84 A HN 0.144 nan 8.150 nan 0.000 0.522 85 A N -2.359 120.482 122.820 0.034 0.000 1.691 85 A HA 0.549 4.869 4.320 -0.000 0.000 0.137 85 A C 1.258 178.822 177.584 -0.035 0.000 1.444 85 A CA 0.835 52.887 52.037 0.025 0.000 1.955 85 A CB -0.493 18.521 19.000 0.025 0.000 1.909 85 A HN 1.664 nan 8.150 nan 0.000 1.201 86 G N -0.940 107.773 108.800 -0.144 0.000 3.288 86 G HA2 0.218 4.178 3.960 -0.000 0.000 0.219 86 G HA3 0.218 4.178 3.960 -0.000 0.000 0.219 86 G C -0.486 174.284 174.900 -0.217 0.000 0.944 86 G CA 0.739 45.622 45.100 -0.362 0.000 0.854 86 G HN 0.767 nan 8.290 nan 0.000 0.632 87 D N -2.071 118.263 120.400 -0.112 0.000 2.779 87 D HA 0.490 5.130 4.640 -0.000 0.000 0.331 87 D C 0.950 177.226 176.300 -0.040 0.000 1.331 87 D CA 0.450 54.408 54.000 -0.070 0.000 0.866 87 D CB 0.992 41.764 40.800 -0.046 0.000 1.409 87 D HN 1.093 nan 8.370 nan 0.000 0.486 88 G N -0.518 108.267 108.800 -0.025 0.000 2.238 88 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 88 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 88 G C 1.097 175.992 174.900 -0.010 0.000 0.996 88 G CA 0.958 46.054 45.100 -0.006 0.000 0.632 88 G HN 0.505 nan 8.290 nan 0.000 0.503 89 T N 1.356 115.893 114.554 -0.028 0.000 2.624 89 T HA -0.252 4.098 4.350 -0.000 0.000 0.266 89 T C 2.402 177.091 174.700 -0.019 0.000 1.050 89 T CA 2.774 64.854 62.100 -0.033 0.000 1.163 89 T CB -0.702 68.141 68.868 -0.042 0.000 0.861 89 T HN 0.558 nan 8.240 nan 0.000 0.443 90 T N 1.482 116.028 114.554 -0.014 0.000 2.857 90 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 90 T C 2.340 177.041 174.700 0.001 0.000 1.048 90 T CA 1.514 63.610 62.100 -0.007 0.000 1.139 90 T CB -0.589 68.275 68.868 -0.007 0.000 0.874 90 T HN 0.473 nan 8.240 nan 0.000 0.455 91 T N 2.342 116.898 114.554 0.004 0.000 2.737 91 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 91 T C 2.480 177.192 174.700 0.020 0.000 1.038 91 T CA 1.084 63.192 62.100 0.012 0.000 1.144 91 T CB -0.714 68.163 68.868 0.015 0.000 0.866 91 T HN 0.412 nan 8.240 nan 0.000 0.434 92 A N 1.833 124.667 122.820 0.023 0.000 1.881 92 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 92 A C 2.569 180.169 177.584 0.026 0.000 1.215 92 A CA 2.630 54.689 52.037 0.035 0.000 0.648 92 A CB -1.608 17.408 19.000 0.027 0.000 0.832 92 A HN 0.503 nan 8.150 nan 0.000 0.455 93 T N -0.464 114.096 114.554 0.011 0.000 2.684 93 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 93 T C 1.863 176.571 174.700 0.013 0.000 1.036 93 T CA 1.646 63.752 62.100 0.009 0.000 1.148 93 T CB -0.520 68.349 68.868 0.001 0.000 0.863 93 T HN 0.186 nan 8.240 nan 0.000 0.436 94 V N 1.195 121.116 119.914 0.012 0.000 2.407 94 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 94 V C 2.412 178.514 176.094 0.015 0.000 1.055 94 V CA 1.365 63.672 62.300 0.012 0.000 1.049 94 V CB -0.631 31.198 31.823 0.010 0.000 0.662 94 V HN 0.406 nan 8.190 nan 0.000 0.455 95 L N -0.230 121.004 121.223 0.019 0.000 2.068 95 L HA -0.038 4.302 4.340 -0.000 0.000 0.204 95 L C 2.741 179.626 176.870 0.024 0.000 1.076 95 L CA 1.313 56.166 54.840 0.022 0.000 0.753 95 L CB -0.725 41.350 42.059 0.028 0.000 0.910 95 L HN 0.322 nan 8.230 nan 0.000 0.439 96 A N -0.366 122.471 122.820 0.028 0.000 1.865 96 A HA -0.331 3.989 4.320 -0.000 0.000 0.217 96 A C 2.236 179.833 177.584 0.022 0.000 1.191 96 A CA 2.126 54.181 52.037 0.029 0.000 0.623 96 A CB -0.779 18.240 19.000 0.033 0.000 0.826 96 A HN 0.505 nan 8.150 nan 0.000 0.444 97 Q N -0.596 119.215 119.800 0.018 0.000 2.112 97 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 97 Q C 2.157 178.166 176.000 0.014 0.000 0.987 97 Q CA 2.015 57.827 55.803 0.015 0.000 0.858 97 Q CB -0.361 28.384 28.738 0.012 0.000 0.905 97 Q HN 0.631 nan 8.270 nan 0.000 0.420 98 A N 0.388 123.217 122.820 0.014 0.000 1.898 98 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 98 A C 1.929 179.521 177.584 0.013 0.000 1.181 98 A CA 1.362 53.407 52.037 0.013 0.000 0.620 98 A CB -0.490 18.518 19.000 0.013 0.000 0.819 98 A HN 0.470 nan 8.150 nan 0.000 0.442 99 I N -0.352 120.227 120.570 0.016 0.000 2.193 99 I HA -0.178 3.992 4.170 -0.000 0.000 0.240 99 I C 2.249 178.375 176.117 0.015 0.000 1.084 99 I CA 1.083 62.392 61.300 0.015 0.000 1.365 99 I CB -0.456 37.555 38.000 0.018 0.000 1.064 99 I HN 0.233 nan 8.210 nan 0.000 0.410 100 I N 0.635 121.215 120.570 0.017 0.000 2.151 100 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 100 I C 2.645 178.770 176.117 0.013 0.000 1.080 100 I CA 1.697 63.007 61.300 0.016 0.000 1.339 100 I CB -0.835 37.176 38.000 0.018 0.000 1.039 100 I HN 0.267 nan 8.210 nan 0.000 0.409 101 T N 0.154 114.715 114.554 0.012 0.000 2.684 101 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 101 T C 1.847 176.552 174.700 0.008 0.000 1.036 101 T CA 1.454 63.559 62.100 0.009 0.000 1.148 101 T CB -0.113 68.760 68.868 0.008 0.000 0.863 101 T HN 0.314 nan 8.240 nan 0.000 0.436 102 E N 0.112 120.317 120.200 0.008 0.000 2.122 102 E HA 0.092 4.442 4.350 -0.000 0.000 0.190 102 E C 2.436 179.040 176.600 0.008 0.000 0.977 102 E CA 0.684 57.089 56.400 0.007 0.000 0.820 102 E CB -0.708 28.996 29.700 0.007 0.000 0.770 102 E HN 0.522 nan 8.360 nan 0.000 0.462 103 G N 2.016 110.822 108.800 0.009 0.000 2.552 103 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 103 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 103 G C 1.511 176.416 174.900 0.009 0.000 1.240 103 G CA 0.651 45.757 45.100 0.010 0.000 0.796 103 G HN 0.156 nan 8.290 nan 0.000 0.568 104 L N 0.890 122.119 121.223 0.010 0.000 2.081 104 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 104 L C 2.715 179.588 176.870 0.006 0.000 1.080 104 L CA 1.757 56.603 54.840 0.009 0.000 0.754 104 L CB -0.839 41.225 42.059 0.009 0.000 0.893 104 L HN 0.247 nan 8.230 nan 0.000 0.433 105 K N -1.358 119.046 120.400 0.006 0.000 2.152 105 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 105 K C 2.021 178.623 176.600 0.004 0.000 1.048 105 K CA 1.277 57.567 56.287 0.004 0.000 0.933 105 K CB -0.049 32.453 32.500 0.004 0.000 0.721 105 K HN 0.372 nan 8.250 nan 0.000 0.447 106 A N 0.445 123.268 122.820 0.005 0.000 1.872 106 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 106 A C 2.175 179.762 177.584 0.005 0.000 1.187 106 A CA 1.465 53.505 52.037 0.005 0.000 0.614 106 A CB -0.829 18.174 19.000 0.005 0.000 0.826 106 A HN 0.245 nan 8.150 nan 0.000 0.442 107 V N -0.567 119.350 119.914 0.006 0.000 2.332 107 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 107 V C 2.445 178.542 176.094 0.005 0.000 1.055 107 V CA 2.497 64.801 62.300 0.007 0.000 1.038 107 V CB -1.069 30.759 31.823 0.009 0.000 0.651 107 V HN 0.571 nan 8.190 nan 0.000 0.450 108 A N -0.117 122.706 122.820 0.004 0.000 2.121 108 A HA 0.252 4.572 4.320 -0.000 0.000 0.218 108 A C 2.336 179.920 177.584 0.001 0.000 1.154 108 A CA 1.751 53.789 52.037 0.002 0.000 0.679 108 A CB -0.801 18.200 19.000 0.001 0.000 0.795 108 A HN 1.110 nan 8.150 nan 0.000 0.458 109 A N -1.878 120.944 122.820 0.002 0.000 2.178 109 A HA 0.437 4.757 4.320 -0.000 0.000 0.211 109 A C 1.537 179.121 177.584 0.001 0.000 1.157 109 A CA 1.169 53.207 52.037 0.001 0.000 0.780 109 A CB -0.415 18.586 19.000 0.002 0.000 0.828 109 A HN 1.777 nan 8.150 nan 0.000 0.476 110 G N -1.374 107.427 108.800 0.001 0.000 2.186 110 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.130 110 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.130 110 G C -0.174 174.727 174.900 0.002 0.000 1.031 110 G CA 0.010 45.111 45.100 0.001 0.000 0.697 110 G HN 0.272 nan 8.290 nan 0.000 0.494 111 M N 0.171 119.772 119.600 0.003 0.000 2.644 111 M HA 0.413 4.892 4.480 -0.000 0.000 0.316 111 M C 0.174 176.476 176.300 0.004 0.000 1.200 111 M CA -0.984 54.318 55.300 0.003 0.000 0.944 111 M CB 1.374 33.976 32.600 0.003 0.000 1.691 111 M HN 0.080 nan 8.290 nan 0.000 0.471 112 N N 2.272 120.974 118.700 0.004 0.000 2.416 112 N HA 0.115 4.855 4.740 -0.000 0.000 0.265 112 N C -2.109 173.405 175.510 0.006 0.000 1.195 112 N CA -1.172 51.880 53.050 0.005 0.000 0.943 112 N CB 1.016 39.505 38.487 0.004 0.000 1.115 112 N HN 0.274 nan 8.380 nan 0.000 0.481 113 P HA -0.122 nan 4.420 nan 0.000 0.217 113 P C 1.242 178.548 177.300 0.010 0.000 1.148 113 P CA 1.156 64.262 63.100 0.010 0.000 0.828 113 P CB 0.295 32.003 31.700 0.013 0.000 0.783 114 M N -1.180 118.425 119.600 0.009 0.000 2.236 114 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 114 M C 1.396 177.700 176.300 0.007 0.000 1.070 114 M CA 1.556 56.861 55.300 0.008 0.000 1.137 114 M CB -0.750 31.855 32.600 0.007 0.000 1.378 114 M HN -0.222 nan 8.290 nan 0.000 0.426 115 D N -0.183 120.220 120.400 0.006 0.000 2.097 115 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 115 D C 2.062 178.366 176.300 0.005 0.000 0.984 115 D CA 1.303 55.306 54.000 0.005 0.000 0.826 115 D CB -0.322 40.480 40.800 0.004 0.000 0.973 115 D HN 0.319 nan 8.370 nan 0.000 0.460 116 L N 0.841 122.068 121.223 0.006 0.000 2.042 116 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 116 L C 2.536 179.410 176.870 0.007 0.000 1.076 116 L CA 1.226 56.070 54.840 0.007 0.000 0.749 116 L CB -0.296 41.767 42.059 0.008 0.000 0.893 116 L HN -0.004 nan 8.230 nan 0.000 0.432 117 K N 0.117 120.522 120.400 0.008 0.000 2.057 117 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 117 K C 2.327 178.931 176.600 0.006 0.000 1.050 117 K CA 1.118 57.410 56.287 0.008 0.000 0.935 117 K CB 0.026 32.532 32.500 0.010 0.000 0.715 117 K HN 0.096 nan 8.250 nan 0.000 0.439 118 R N -0.126 120.377 120.500 0.005 0.000 2.080 118 R HA -0.110 4.230 4.340 -0.000 0.000 0.236 118 R C 2.361 178.662 176.300 0.002 0.000 1.137 118 R CA 1.748 57.850 56.100 0.003 0.000 0.943 118 R CB -0.670 29.632 30.300 0.003 0.000 0.846 118 R HN 0.423 nan 8.270 nan 0.000 0.431 119 G N 1.044 109.846 108.800 0.003 0.000 2.514 119 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 119 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 119 G C 1.413 176.315 174.900 0.003 0.000 1.198 119 G CA 1.277 46.379 45.100 0.003 0.000 0.780 119 G HN 0.268 nan 8.290 nan 0.000 0.565 120 I N 1.237 121.809 120.570 0.005 0.000 2.145 120 I HA -0.241 3.929 4.170 -0.000 0.000 0.244 120 I C 2.378 178.496 176.117 0.002 0.000 1.075 120 I CA 1.811 63.114 61.300 0.005 0.000 1.332 120 I CB -0.153 37.852 38.000 0.007 0.000 1.033 120 I HN 0.115 nan 8.210 nan 0.000 0.410 121 D N 0.200 120.600 120.400 0.000 0.000 2.144 121 D HA -0.193 4.447 4.640 -0.000 0.000 0.200 121 D C 2.073 178.370 176.300 -0.004 0.000 0.978 121 D CA 1.052 55.050 54.000 -0.004 0.000 0.833 121 D CB -0.219 40.578 40.800 -0.005 0.000 0.961 121 D HN 0.344 nan 8.370 nan 0.000 0.470 122 K N 0.874 121.273 120.400 -0.002 0.000 2.026 122 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 122 K C 2.072 178.671 176.600 -0.001 0.000 1.048 122 K CA 1.282 57.568 56.287 -0.002 0.000 0.929 122 K CB -0.042 32.458 32.500 0.000 0.000 0.713 122 K HN -0.001 nan 8.250 nan 0.000 0.439 123 A N 0.564 123.384 122.820 0.001 0.000 1.908 123 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 123 A C 2.228 179.813 177.584 0.001 0.000 1.181 123 A CA 1.785 53.823 52.037 0.002 0.000 0.627 123 A CB -0.687 18.316 19.000 0.004 0.000 0.818 123 A HN 0.192 nan 8.150 nan 0.000 0.445 124 V N -0.540 119.373 119.914 -0.002 0.000 2.407 124 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 124 V C 2.712 178.801 176.094 -0.008 0.000 1.055 124 V CA 2.409 64.706 62.300 -0.005 0.000 1.049 124 V CB -1.221 30.597 31.823 -0.009 0.000 0.662 124 V HN 0.599 nan 8.190 nan 0.000 0.455 125 T N 0.319 114.867 114.554 -0.008 0.000 2.708 125 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 125 T C 2.085 176.782 174.700 -0.005 0.000 1.037 125 T CA 1.711 63.805 62.100 -0.009 0.000 1.146 125 T CB -0.401 68.462 68.868 -0.008 0.000 0.865 125 T HN 0.574 nan 8.240 nan 0.000 0.435 126 A N 1.534 124.353 122.820 -0.002 0.000 1.858 126 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 126 A C 2.663 180.248 177.584 0.002 0.000 1.190 126 A CA 2.030 54.067 52.037 0.001 0.000 0.617 126 A CB -1.274 17.728 19.000 0.002 0.000 0.827 126 A HN 0.509 nan 8.150 nan 0.000 0.443 127 A N -0.652 122.170 122.820 0.003 0.000 1.908 127 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 127 A C 2.205 179.791 177.584 0.004 0.000 1.181 127 A CA 1.920 53.960 52.037 0.005 0.000 0.627 127 A CB -0.994 18.010 19.000 0.006 0.000 0.818 127 A HN 0.461 nan 8.150 nan 0.000 0.445 128 V N -0.217 119.697 119.914 -0.001 0.000 2.490 128 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 128 V C 2.568 178.663 176.094 0.000 0.000 1.061 128 V CA 2.238 64.536 62.300 -0.003 0.000 1.064 128 V CB -0.703 31.114 31.823 -0.011 0.000 0.670 128 V HN 0.506 nan 8.190 nan 0.000 0.461 129 E N 0.257 120.458 120.200 0.001 0.000 2.015 129 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 129 E C 2.344 178.948 176.600 0.006 0.000 0.991 129 E CA 1.078 57.480 56.400 0.003 0.000 0.802 129 E CB -0.350 29.352 29.700 0.002 0.000 0.759 129 E HN 0.504 nan 8.360 nan 0.000 0.447 130 E N 0.044 120.249 120.200 0.008 0.000 2.171 130 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 130 E C 2.129 178.737 176.600 0.013 0.000 0.997 130 E CA 0.614 57.020 56.400 0.011 0.000 0.810 130 E CB -0.223 29.484 29.700 0.012 0.000 0.738 130 E HN 0.153 nan 8.360 nan 0.000 0.467 131 L N 1.369 122.599 121.223 0.012 0.000 2.056 131 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 131 L C 2.184 179.061 176.870 0.013 0.000 1.078 131 L CA 1.634 56.482 54.840 0.014 0.000 0.749 131 L CB -0.213 41.853 42.059 0.012 0.000 0.901 131 L HN -0.036 nan 8.230 nan 0.000 0.433 132 K N -1.095 119.311 120.400 0.010 0.000 2.209 132 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 132 K C 1.991 178.598 176.600 0.011 0.000 1.048 132 K CA 1.084 57.377 56.287 0.010 0.000 0.940 132 K CB -0.183 32.321 32.500 0.007 0.000 0.729 132 K HN 0.380 nan 8.250 nan 0.000 0.451 133 A N 1.326 124.153 122.820 0.012 0.000 1.874 133 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 133 A C 2.025 179.619 177.584 0.016 0.000 1.189 133 A CA 0.805 52.850 52.037 0.013 0.000 0.615 133 A CB -0.369 18.639 19.000 0.012 0.000 0.830 133 A HN 0.227 nan 8.150 nan 0.000 0.443 134 L N 0.217 121.451 121.223 0.018 0.000 2.291 134 L HA 0.098 4.438 4.340 -0.000 0.000 0.214 134 L C 1.366 178.249 176.870 0.022 0.000 1.120 134 L CA 1.150 56.003 54.840 0.022 0.000 0.799 134 L CB -0.580 41.495 42.059 0.026 0.000 0.925 134 L HN 0.291 nan 8.230 nan 0.000 0.446 135 S N -0.771 114.940 115.700 0.019 0.000 2.568 135 S HA 0.250 4.720 4.470 -0.000 0.000 0.282 135 S C -0.168 174.442 174.600 0.017 0.000 1.338 135 S CA -0.550 57.661 58.200 0.018 0.000 1.045 135 S CB 0.457 63.666 63.200 0.016 0.000 0.873 135 S HN 0.067 nan 8.310 nan 0.000 0.516 136 V N 7.450 127.375 119.914 0.018 0.000 2.384 136 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 136 V C -2.087 174.016 176.094 0.015 0.000 1.020 136 V CA -1.842 60.468 62.300 0.016 0.000 0.850 136 V CB 1.269 33.103 31.823 0.018 0.000 0.987 136 V HN 0.808 nan 8.190 nan 0.000 0.436 137 P HA 0.068 nan 4.420 nan 0.000 0.269 137 P C -0.539 176.768 177.300 0.012 0.000 1.211 137 P CA -0.088 63.020 63.100 0.012 0.000 0.781 137 P CB 0.381 32.087 31.700 0.011 0.000 0.877 138 C N 2.210 121.517 119.300 0.012 0.000 3.123 138 C HA 0.496 4.956 4.460 -0.000 0.000 0.284 138 C C 1.216 176.212 174.990 0.010 0.000 1.076 138 C CA 0.225 59.250 59.018 0.011 0.000 1.416 138 C CB -0.991 26.757 27.740 0.013 0.000 1.841 138 C HN 0.639 nan 8.230 nan 0.000 0.501 139 S N 2.361 118.066 115.700 0.009 0.000 2.807 139 S HA 0.184 4.654 4.470 -0.000 0.000 0.247 139 S C 0.418 175.022 174.600 0.006 0.000 1.078 139 S CA 0.517 58.721 58.200 0.008 0.000 0.867 139 S CB -0.083 63.121 63.200 0.007 0.000 0.797 139 S HN 0.929 nan 8.310 nan 0.000 0.515 140 D N 0.895 121.299 120.400 0.006 0.000 2.348 140 D HA 0.319 4.959 4.640 -0.000 0.000 0.249 140 D C 0.855 177.157 176.300 0.004 0.000 1.110 140 D CA -0.169 53.834 54.000 0.005 0.000 0.967 140 D CB 1.038 41.841 40.800 0.004 0.000 1.139 140 D HN 0.076 nan 8.370 nan 0.000 0.466 141 S N -0.024 115.678 115.700 0.003 0.000 2.402 141 S HA -0.219 4.251 4.470 -0.000 0.000 0.233 141 S C 1.597 176.199 174.600 0.003 0.000 1.030 141 S CA 1.504 59.705 58.200 0.002 0.000 1.003 141 S CB -0.290 62.910 63.200 0.001 0.000 0.813 141 S HN 0.612 nan 8.310 nan 0.000 0.477 142 K N 0.796 121.198 120.400 0.003 0.000 2.063 142 K HA -0.078 4.241 4.320 -0.000 0.000 0.208 142 K C 2.092 178.695 176.600 0.005 0.000 1.048 142 K CA 1.333 57.623 56.287 0.004 0.000 0.928 142 K CB -0.313 32.189 32.500 0.004 0.000 0.713 142 K HN 0.325 nan 8.250 nan 0.000 0.442 143 A N 0.817 123.640 122.820 0.005 0.000 1.930 143 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 143 A C 1.922 179.510 177.584 0.007 0.000 1.176 143 A CA 0.815 52.856 52.037 0.007 0.000 0.632 143 A CB -0.352 18.652 19.000 0.008 0.000 0.819 143 A HN 0.218 nan 8.150 nan 0.000 0.445 144 I N 0.465 121.039 120.570 0.006 0.000 2.099 144 I HA -0.267 3.903 4.170 -0.000 0.000 0.239 144 I C 2.992 179.112 176.117 0.005 0.000 1.066 144 I CA 1.508 62.812 61.300 0.006 0.000 1.324 144 I CB -1.714 36.288 38.000 0.004 0.000 1.037 144 I HN 0.347 nan 8.210 nan 0.000 0.401 145 A N -0.079 122.743 122.820 0.004 0.000 1.917 145 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 145 A C 2.363 179.949 177.584 0.003 0.000 1.182 145 A CA 2.229 54.267 52.037 0.003 0.000 0.633 145 A CB -0.881 18.120 19.000 0.002 0.000 0.819 145 A HN 0.601 nan 8.150 nan 0.000 0.448 146 Q N -0.798 119.005 119.800 0.004 0.000 2.030 146 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 146 Q C 2.036 178.039 176.000 0.005 0.000 0.986 146 Q CA 2.043 57.848 55.803 0.004 0.000 0.843 146 Q CB -0.287 28.454 28.738 0.005 0.000 0.904 146 Q HN 0.383 nan 8.270 nan 0.000 0.420 147 V N 0.205 120.123 119.914 0.007 0.000 2.515 147 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 147 V C 2.073 178.172 176.094 0.010 0.000 1.058 147 V CA 1.938 64.244 62.300 0.009 0.000 1.064 147 V CB -0.722 31.108 31.823 0.012 0.000 0.675 147 V HN 0.656 nan 8.190 nan 0.000 0.461 148 G N -0.251 108.554 108.800 0.009 0.000 2.433 148 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 148 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 148 G C 1.758 176.661 174.900 0.006 0.000 1.186 148 G CA 1.757 46.861 45.100 0.008 0.000 0.779 148 G HN 0.577 nan 8.290 nan 0.000 0.543 149 T N -0.379 114.177 114.554 0.004 0.000 2.821 149 T HA 0.012 4.362 4.350 -0.000 0.000 0.267 149 T C 2.410 177.110 174.700 0.001 0.000 1.046 149 T CA 1.139 63.240 62.100 0.002 0.000 1.139 149 T CB -0.242 68.626 68.868 0.000 0.000 0.871 149 T HN 0.196 nan 8.240 nan 0.000 0.454 150 I N 1.380 121.950 120.570 0.001 0.000 2.252 150 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 150 I C 3.029 179.146 176.117 -0.000 0.000 1.102 150 I CA 1.253 62.552 61.300 -0.001 0.000 1.385 150 I CB -0.358 37.642 38.000 -0.001 0.000 1.064 150 I HN 0.295 nan 8.210 nan 0.000 0.414 151 S N 0.183 115.885 115.700 0.004 0.000 2.402 151 S HA -0.010 4.460 4.470 -0.000 0.000 0.229 151 S C 1.862 176.466 174.600 0.006 0.000 1.021 151 S CA 1.076 59.281 58.200 0.007 0.000 0.974 151 S CB -0.141 63.068 63.200 0.015 0.000 0.800 151 S HN 0.443 nan 8.310 nan 0.000 0.484 152 A N 1.418 124.241 122.820 0.006 0.000 2.327 152 A HA 0.304 4.624 4.320 -0.000 0.000 0.228 152 A C 0.512 178.095 177.584 -0.000 0.000 1.275 152 A CA 0.008 52.047 52.037 0.004 0.000 0.875 152 A CB -0.921 18.081 19.000 0.005 0.000 0.925 152 A HN 0.757 nan 8.150 nan 0.000 0.493 153 N N 0.208 118.907 118.700 -0.003 0.000 2.590 153 N HA -0.193 4.547 4.740 -0.000 0.000 0.273 153 N C -0.111 175.395 175.510 -0.007 0.000 1.210 153 N CA 0.459 53.505 53.050 -0.007 0.000 0.676 153 N CB -1.074 37.408 38.487 -0.008 0.000 0.881 153 N HN 0.403 nan 8.380 nan 0.000 0.550 154 S N 0.297 115.993 115.700 -0.007 0.000 3.521 154 S HA -0.213 4.257 4.470 -0.000 0.000 0.362 154 S C -0.374 174.223 174.600 -0.005 0.000 1.044 154 S CA 1.184 59.380 58.200 -0.007 0.000 1.091 154 S CB -0.649 62.545 63.200 -0.009 0.000 0.908 154 S HN 0.712 nan 8.310 nan 0.000 0.473 155 D N 0.616 121.014 120.400 -0.003 0.000 2.479 155 D HA 0.299 4.939 4.640 -0.000 0.000 0.247 155 D C 1.003 177.302 176.300 -0.002 0.000 1.119 155 D CA -0.484 53.515 54.000 -0.003 0.000 0.922 155 D CB 0.502 41.301 40.800 -0.002 0.000 1.014 155 D HN 0.399 nan 8.370 nan 0.000 0.510 156 E N 0.413 120.612 120.200 -0.002 0.000 2.187 156 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 156 E C 1.775 178.374 176.600 -0.002 0.000 1.004 156 E CA 1.733 58.133 56.400 -0.002 0.000 0.813 156 E CB 0.273 29.972 29.700 -0.002 0.000 0.736 156 E HN 0.574 nan 8.360 nan 0.000 0.468 157 T N -1.734 112.818 114.554 -0.002 0.000 2.915 157 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 157 T C 1.939 176.638 174.700 -0.002 0.000 1.071 157 T CA 1.015 63.114 62.100 -0.002 0.000 1.132 157 T CB -0.230 68.637 68.868 -0.003 0.000 0.878 157 T HN -0.040 nan 8.240 nan 0.000 0.479 158 V N 1.827 121.740 119.914 -0.002 0.000 2.283 158 V HA 0.100 4.220 4.120 -0.000 0.000 0.243 158 V C 3.170 179.263 176.094 -0.001 0.000 1.039 158 V CA 1.741 64.040 62.300 -0.001 0.000 1.016 158 V CB -1.517 30.306 31.823 0.000 0.000 0.650 158 V HN 0.634 nan 8.190 nan 0.000 0.449 159 G N -0.414 108.386 108.800 -0.000 0.000 2.469 159 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 159 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 159 G C 1.645 176.545 174.900 -0.001 0.000 1.150 159 G CA 1.258 46.359 45.100 0.001 0.000 0.763 159 G HN 0.458 nan 8.290 nan 0.000 0.561 160 K N -0.610 119.789 120.400 -0.001 0.000 2.044 160 K HA -0.121 4.199 4.320 -0.000 0.000 0.210 160 K C 2.479 179.077 176.600 -0.003 0.000 1.049 160 K CA 1.242 57.528 56.287 -0.002 0.000 0.927 160 K CB -0.229 32.269 32.500 -0.002 0.000 0.713 160 K HN 0.234 nan 8.250 nan 0.000 0.443 161 L N 1.080 122.301 121.223 -0.004 0.000 2.027 161 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 161 L C 2.201 179.067 176.870 -0.007 0.000 1.074 161 L CA 1.414 56.251 54.840 -0.006 0.000 0.745 161 L CB -0.515 41.540 42.059 -0.007 0.000 0.898 161 L HN 0.223 nan 8.230 nan 0.000 0.433 162 I N -0.802 119.765 120.570 -0.006 0.000 2.163 162 I HA -0.352 3.818 4.170 -0.000 0.000 0.243 162 I C 2.551 178.664 176.117 -0.006 0.000 1.085 162 I CA 1.381 62.677 61.300 -0.007 0.000 1.347 162 I CB -0.481 37.517 38.000 -0.004 0.000 1.044 162 I HN 0.243 nan 8.210 nan 0.000 0.408 163 A N -0.012 122.805 122.820 -0.004 0.000 1.940 163 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 163 A C 2.215 179.797 177.584 -0.004 0.000 1.176 163 A CA 1.788 53.823 52.037 -0.003 0.000 0.631 163 A CB -0.596 18.404 19.000 -0.001 0.000 0.814 163 A HN 0.461 nan 8.150 nan 0.000 0.446 164 E N -0.578 119.619 120.200 -0.005 0.000 2.150 164 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 164 E C 2.260 178.855 176.600 -0.007 0.000 0.985 164 E CA 0.774 57.171 56.400 -0.006 0.000 0.814 164 E CB -0.192 29.505 29.700 -0.006 0.000 0.752 164 E HN 0.643 nan 8.360 nan 0.000 0.466 165 A N 0.752 123.567 122.820 -0.009 0.000 1.872 165 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 165 A C 2.099 179.677 177.584 -0.011 0.000 1.187 165 A CA 1.038 53.068 52.037 -0.012 0.000 0.614 165 A CB -0.311 18.680 19.000 -0.015 0.000 0.826 165 A HN 0.127 nan 8.150 nan 0.000 0.442 166 M N -0.907 118.688 119.600 -0.009 0.000 2.229 166 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 166 M C 1.632 177.928 176.300 -0.006 0.000 1.063 166 M CA 1.616 56.911 55.300 -0.008 0.000 1.114 166 M CB -0.482 32.115 32.600 -0.006 0.000 1.387 166 M HN 0.366 nan 8.290 nan 0.000 0.420 167 D N 0.645 121.042 120.400 -0.005 0.000 2.178 167 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 167 D C 1.980 178.277 176.300 -0.005 0.000 0.980 167 D CA 1.140 55.137 54.000 -0.004 0.000 0.842 167 D CB 0.257 41.055 40.800 -0.004 0.000 0.948 167 D HN 0.199 nan 8.370 nan 0.000 0.472 168 K N -0.869 119.527 120.400 -0.006 0.000 2.214 168 K HA 0.119 4.439 4.320 -0.000 0.000 0.201 168 K C 1.257 177.853 176.600 -0.007 0.000 1.049 168 K CA 0.215 56.498 56.287 -0.006 0.000 0.978 168 K CB 0.608 33.103 32.500 -0.008 0.000 0.842 168 K HN -0.004 nan 8.250 nan 0.000 0.474 169 V N 0.613 120.522 119.914 -0.008 0.000 3.578 169 V HA 0.226 4.346 4.120 -0.000 0.000 0.290 169 V C -0.128 175.962 176.094 -0.007 0.000 1.376 169 V CA 0.655 62.950 62.300 -0.008 0.000 1.083 169 V CB 0.109 31.925 31.823 -0.011 0.000 0.911 169 V HN 0.565 nan 8.190 nan 0.000 0.433 170 G N 0.686 109.483 108.800 -0.006 0.000 2.730 170 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 170 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 170 G C 0.163 175.060 174.900 -0.005 0.000 1.343 170 G CA 0.077 45.174 45.100 -0.004 0.000 0.826 170 G HN 0.300 nan 8.290 nan 0.000 0.582 171 K N 0.037 120.435 120.400 -0.003 0.000 2.209 171 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 171 K C 2.123 178.722 176.600 -0.003 0.000 1.048 171 K CA 1.795 58.081 56.287 -0.002 0.000 0.940 171 K CB 0.040 32.541 32.500 0.001 0.000 0.729 171 K HN 0.435 nan 8.250 nan 0.000 0.451 172 E N 0.260 120.459 120.200 -0.003 0.000 2.250 172 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 172 E C 0.721 177.317 176.600 -0.007 0.000 0.986 172 E CA 0.166 56.565 56.400 -0.002 0.000 0.849 172 E CB -0.040 29.661 29.700 0.001 0.000 0.797 172 E HN 0.299 nan 8.360 nan 0.000 0.482 173 G N 0.255 109.050 108.800 -0.008 0.000 2.647 173 G HA2 0.135 4.095 3.960 -0.000 0.000 0.234 173 G HA3 0.135 4.095 3.960 -0.000 0.000 0.234 173 G C -0.141 174.747 174.900 -0.019 0.000 1.252 173 G CA -0.383 44.710 45.100 -0.012 0.000 0.846 173 G HN 0.034 nan 8.290 nan 0.000 0.589 174 V N 1.337 121.238 119.914 -0.022 0.000 2.488 174 V HA 0.342 4.462 4.120 -0.000 0.000 0.277 174 V C 0.263 176.335 176.094 -0.037 0.000 1.046 174 V CA -0.075 62.205 62.300 -0.033 0.000 0.986 174 V CB 0.677 32.478 31.823 -0.035 0.000 0.989 174 V HN 0.476 nan 8.190 nan 0.000 0.475 175 I N 4.784 125.325 120.570 -0.047 0.000 2.447 175 I HA 0.550 4.720 4.170 -0.000 0.000 0.287 175 I C 0.347 176.429 176.117 -0.058 0.000 1.023 175 I CA -0.079 61.193 61.300 -0.047 0.000 1.083 175 I CB 2.199 40.172 38.000 -0.045 0.000 1.245 175 I HN 0.793 nan 8.210 nan 0.000 0.434 176 T N 2.445 116.969 114.554 -0.049 0.000 2.927 176 T HA 0.837 5.187 4.350 -0.000 0.000 0.286 176 T C -0.593 174.084 174.700 -0.038 0.000 1.040 176 T CA -0.873 61.198 62.100 -0.049 0.000 1.010 176 T CB 2.029 70.869 68.868 -0.046 0.000 1.177 176 T HN 0.169 nan 8.240 nan 0.000 0.546 177 V N 1.195 121.089 119.914 -0.034 0.000 2.443 177 V HA 0.489 4.609 4.120 -0.000 0.000 0.293 177 V C -0.200 175.882 176.094 -0.020 0.000 1.021 177 V CA -0.771 61.514 62.300 -0.024 0.000 0.848 177 V CB 1.235 33.045 31.823 -0.021 0.000 0.998 177 V HN 0.955 nan 8.190 nan 0.000 0.424 178 E N 1.787 121.976 120.200 -0.018 0.000 2.239 178 E HA 0.419 4.769 4.350 -0.000 0.000 0.261 178 E C -1.199 175.394 176.600 -0.012 0.000 1.016 178 E CA -0.952 55.439 56.400 -0.016 0.000 0.882 178 E CB 1.424 31.113 29.700 -0.017 0.000 1.190 178 E HN 0.661 nan 8.360 nan 0.000 0.415 179 D N 0.463 120.856 120.400 -0.011 0.000 2.390 179 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 179 D C -0.049 176.245 176.300 -0.010 0.000 1.144 179 D CA 0.257 54.252 54.000 -0.009 0.000 0.880 179 D CB 0.964 41.759 40.800 -0.009 0.000 1.182 179 D HN 0.419 nan 8.370 nan 0.000 0.451 180 G N 0.336 109.131 108.800 -0.009 0.000 2.503 180 G HA2 0.315 4.275 3.960 -0.000 0.000 0.257 180 G HA3 0.315 4.275 3.960 -0.000 0.000 0.257 180 G C 1.049 175.945 174.900 -0.008 0.000 1.214 180 G CA -0.352 44.743 45.100 -0.009 0.000 0.839 180 G HN 0.511 nan 8.290 nan 0.000 0.559 181 T N -0.757 113.792 114.554 -0.008 0.000 3.039 181 T HA 0.313 4.663 4.350 -0.000 0.000 0.250 181 T C 1.333 176.029 174.700 -0.007 0.000 1.052 181 T CA 0.796 62.892 62.100 -0.008 0.000 1.125 181 T CB 0.196 69.059 68.868 -0.008 0.000 0.908 181 T HN 0.724 nan 8.240 nan 0.000 0.473 182 G N 0.900 109.696 108.800 -0.006 0.000 3.008 182 G HA2 0.531 4.491 3.960 -0.000 0.000 0.181 182 G HA3 0.531 4.491 3.960 -0.000 0.000 0.181 182 G C 0.334 175.231 174.900 -0.005 0.000 1.309 182 G CA -0.266 44.831 45.100 -0.006 0.000 1.009 182 G HN 0.234 nan 8.290 nan 0.000 0.584 183 L N -0.891 120.329 121.223 -0.005 0.000 2.307 183 L HA 0.306 4.646 4.340 -0.000 0.000 0.211 183 L C 0.934 177.801 176.870 -0.005 0.000 1.099 183 L CA 0.742 55.579 54.840 -0.005 0.000 0.816 183 L CB -0.363 41.694 42.059 -0.004 0.000 0.952 183 L HN 0.248 nan 8.230 nan 0.000 0.455 184 Q N 1.447 121.244 119.800 -0.005 0.000 2.293 184 Q HA 0.164 4.504 4.340 -0.000 0.000 0.251 184 Q C -0.794 175.202 176.000 -0.006 0.000 0.930 184 Q CA -0.218 55.582 55.803 -0.005 0.000 0.893 184 Q CB 0.769 29.504 28.738 -0.005 0.000 1.215 184 Q HN 0.303 nan 8.270 nan 0.000 0.425 185 D N 1.997 122.394 120.400 -0.006 0.000 2.350 185 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 185 D C -0.238 176.058 176.300 -0.007 0.000 1.119 185 D CA 0.211 54.207 54.000 -0.007 0.000 0.886 185 D CB 1.135 41.931 40.800 -0.006 0.000 1.195 185 D HN 0.347 nan 8.370 nan 0.000 0.437 186 E N 0.633 120.828 120.200 -0.008 0.000 2.299 186 E HA 0.588 4.938 4.350 -0.000 0.000 0.265 186 E C -0.782 175.812 176.600 -0.010 0.000 0.911 186 E CA -0.874 55.521 56.400 -0.009 0.000 0.789 186 E CB 2.550 32.245 29.700 -0.009 0.000 1.246 186 E HN 0.176 nan 8.360 nan 0.000 0.427 187 L N 2.670 123.887 121.223 -0.010 0.000 2.471 187 L HA 0.364 4.704 4.340 -0.000 0.000 0.263 187 L C -1.632 175.231 176.870 -0.011 0.000 0.985 187 L CA -0.436 54.398 54.840 -0.011 0.000 0.868 187 L CB 0.781 42.834 42.059 -0.010 0.000 1.203 187 L HN 0.486 nan 8.230 nan 0.000 0.429 188 D N 3.739 124.132 120.400 -0.012 0.000 2.228 188 D HA 0.501 5.141 4.640 -0.000 0.000 0.247 188 D C -0.491 175.801 176.300 -0.013 0.000 0.995 188 D CA -0.228 53.765 54.000 -0.012 0.000 0.903 188 D CB 2.840 43.633 40.800 -0.013 0.000 1.205 188 D HN 0.268 nan 8.370 nan 0.000 0.459 189 V N -0.895 119.012 119.914 -0.012 0.000 2.513 189 V HA 0.765 4.885 4.120 -0.000 0.000 0.299 189 V C -0.084 176.003 176.094 -0.012 0.000 1.035 189 V CA -0.715 61.578 62.300 -0.012 0.000 0.889 189 V CB 1.595 33.412 31.823 -0.010 0.000 0.988 189 V HN 0.323 nan 8.190 nan 0.000 0.440 190 V N 2.248 122.155 119.914 -0.013 0.000 3.147 190 V HA 0.515 4.635 4.120 -0.000 0.000 0.306 190 V C -0.600 175.487 176.094 -0.011 0.000 1.209 190 V CA -0.560 61.732 62.300 -0.013 0.000 1.023 190 V CB 2.492 34.306 31.823 -0.015 0.000 1.059 190 V HN 1.038 nan 8.190 nan 0.000 0.435 191 E N 3.346 123.540 120.200 -0.009 0.000 2.292 191 E HA 0.459 4.809 4.350 -0.000 0.000 0.265 191 E C 0.171 176.768 176.600 -0.004 0.000 1.093 191 E CA 0.551 56.948 56.400 -0.005 0.000 0.922 191 E CB 0.767 30.464 29.700 -0.004 0.000 1.001 191 E HN 0.943 nan 8.360 nan 0.000 0.444 192 G N 1.710 110.509 108.800 -0.001 0.000 2.663 192 G HA2 0.650 4.610 3.960 -0.000 0.000 0.299 192 G HA3 0.650 4.610 3.960 -0.000 0.000 0.299 192 G C -1.210 173.698 174.900 0.012 0.000 1.372 192 G CA -0.648 44.453 45.100 0.002 0.000 0.781 192 G HN 0.375 nan 8.290 nan 0.000 0.491 193 M N -0.093 119.516 119.600 0.015 0.000 2.562 193 M HA 0.544 5.024 4.480 -0.000 0.000 0.281 193 M C -2.299 174.001 176.300 0.001 0.000 1.195 193 M CA -0.638 54.685 55.300 0.039 0.000 0.888 193 M CB 2.498 35.158 32.600 0.101 0.000 1.731 193 M HN 0.708 nan 8.290 nan 0.000 0.493 194 Q N 3.609 123.412 119.800 0.005 0.000 2.305 194 Q HA 0.662 5.002 4.340 -0.000 0.000 0.271 194 Q C -2.215 173.788 176.000 0.006 0.000 1.046 194 Q CA -0.636 55.105 55.803 -0.102 0.000 0.798 194 Q CB 2.008 30.689 28.738 -0.095 0.000 1.286 194 Q HN 0.586 nan 8.270 nan 0.000 0.435 195 F N -0.112 119.836 119.950 -0.002 0.000 2.603 195 F HA 0.518 5.045 4.527 -0.000 0.000 0.317 195 F C -0.443 175.358 175.800 0.002 0.000 1.066 195 F CA -1.254 56.748 58.000 0.002 0.000 0.941 195 F CB 1.141 40.144 39.000 0.005 0.000 1.291 195 F HN 0.322 nan 8.300 nan 0.000 0.472 196 D N 2.352 122.912 120.400 0.265 0.000 2.671 196 D HA 0.179 4.819 4.640 -0.000 0.000 0.228 196 D C -0.481 175.927 176.300 0.180 0.000 1.102 196 D CA 0.441 54.528 54.000 0.145 0.000 1.044 196 D CB -0.040 40.822 40.800 0.104 0.000 1.113 196 D HN 0.406 nan 8.370 nan 0.000 0.480 197 R N -0.406 120.206 120.500 0.186 0.000 2.564 197 R HA 0.514 4.854 4.340 -0.000 0.000 0.284 197 R C 0.030 176.353 176.300 0.038 0.000 1.031 197 R CA -0.557 55.646 56.100 0.172 0.000 0.904 197 R CB 1.931 32.456 30.300 0.375 0.000 1.199 197 R HN 0.196 nan 8.270 nan 0.000 0.443 198 G N 1.427 110.207 108.800 -0.032 0.000 2.511 198 G HA2 0.332 4.292 3.960 -0.000 0.000 0.316 198 G HA3 0.332 4.292 3.960 -0.000 0.000 0.316 198 G C -0.836 174.010 174.900 -0.089 0.000 1.210 198 G CA -0.564 44.426 45.100 -0.184 0.000 0.969 198 G HN 0.536 nan 8.290 nan 0.000 0.492 199 Y N -1.160 119.207 120.300 0.113 0.000 2.652 199 Y HA 0.301 4.851 4.550 -0.000 0.000 0.344 199 Y C 0.986 177.015 175.900 0.215 0.000 1.254 199 Y CA -1.159 57.048 58.100 0.178 0.000 1.480 199 Y CB 0.278 38.896 38.460 0.263 0.000 1.345 199 Y HN 0.139 nan 8.280 nan 0.000 0.617 200 L N 1.411 122.958 121.223 0.541 0.000 2.591 200 L HA 0.248 4.588 4.340 -0.000 0.000 0.228 200 L C 0.297 177.422 176.870 0.424 0.000 1.133 200 L CA 0.716 55.809 54.840 0.422 0.000 0.880 200 L CB -0.614 41.645 42.059 0.334 0.000 1.033 200 L HN 0.774 nan 8.230 nan 0.000 0.450 201 S N -1.943 114.058 115.700 0.501 0.000 2.570 201 S HA 0.336 4.806 4.470 -0.000 0.000 0.286 201 S C -2.437 172.103 174.600 -0.101 0.000 1.143 201 S CA -0.662 57.601 58.200 0.106 0.000 0.921 201 S CB 1.346 64.350 63.200 -0.327 0.000 1.108 201 S HN -0.192 nan 8.310 nan 0.000 0.456 202 P HA 0.003 nan 4.420 nan 0.000 0.229 202 P C 0.184 177.277 177.300 -0.345 0.000 1.150 202 P CA 0.823 63.691 63.100 -0.388 0.000 0.765 202 P CB -0.158 31.492 31.700 -0.084 0.000 0.783 203 Y N -3.086 116.929 120.300 -0.476 0.000 2.490 203 Y HA 0.129 4.679 4.550 -0.000 0.000 0.281 203 Y C 1.482 177.132 175.900 -0.416 0.000 1.174 203 Y CA 0.242 58.088 58.100 -0.424 0.000 1.295 203 Y CB -0.788 37.416 38.460 -0.427 0.000 1.062 203 Y HN -0.061 nan 8.280 nan 0.000 0.522 204 F N -0.571 119.344 119.950 -0.059 0.000 2.664 204 F HA 0.142 4.669 4.527 -0.000 0.000 0.296 204 F C 0.935 176.674 175.800 -0.102 0.000 1.125 204 F CA -0.682 57.283 58.000 -0.058 0.000 1.444 204 F CB -0.533 38.447 39.000 -0.033 0.000 1.114 204 F HN -0.195 nan 8.300 nan 0.000 0.576 205 I N 3.353 123.889 120.570 -0.057 0.000 2.845 205 I HA -0.175 3.995 4.170 -0.000 0.000 0.290 205 I C 1.267 177.364 176.117 -0.034 0.000 1.202 205 I CA 0.380 61.634 61.300 -0.077 0.000 1.406 205 I CB 0.237 38.137 38.000 -0.166 0.000 1.383 205 I HN 0.292 nan 8.210 nan 0.000 0.549 206 N N 6.237 124.937 118.700 -0.001 0.000 2.294 206 N HA 0.001 4.741 4.740 -0.000 0.000 0.186 206 N C 0.002 175.506 175.510 -0.010 0.000 1.107 206 N CA 0.007 53.056 53.050 -0.002 0.000 0.884 206 N CB 0.544 39.041 38.487 0.017 0.000 1.030 206 N HN 0.404 nan 8.380 nan 0.000 0.482 207 K N 2.367 122.763 120.400 -0.006 0.000 2.357 207 K HA 0.275 4.595 4.320 -0.000 0.000 0.251 207 K C -1.787 174.806 176.600 -0.013 0.000 1.069 207 K CA -1.644 54.639 56.287 -0.006 0.000 0.994 207 K CB 2.192 34.696 32.500 0.006 0.000 1.411 207 K HN 0.041 nan 8.250 nan 0.000 0.450 208 P HA -0.165 nan 4.420 nan 0.000 0.218 208 P C 0.756 178.045 177.300 -0.019 0.000 1.149 208 P CA 1.136 64.215 63.100 -0.035 0.000 0.817 208 P CB 0.557 32.231 31.700 -0.043 0.000 0.785 209 E N 0.254 120.448 120.200 -0.010 0.000 2.005 209 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 209 E C 2.032 178.637 176.600 0.009 0.000 1.010 209 E CA 1.792 58.190 56.400 -0.002 0.000 0.825 209 E CB -1.542 28.158 29.700 -0.000 0.000 0.769 209 E HN 0.280 nan 8.360 nan 0.000 0.456 210 T N -0.433 114.132 114.554 0.018 0.000 2.929 210 T HA 0.052 4.402 4.350 -0.000 0.000 0.271 210 T C 1.301 176.029 174.700 0.047 0.000 1.085 210 T CA 1.012 63.133 62.100 0.035 0.000 1.125 210 T CB -0.340 68.551 68.868 0.039 0.000 0.874 210 T HN 0.485 nan 8.240 nan 0.000 0.494 211 G N 1.321 110.142 108.800 0.035 0.000 2.272 211 G HA2 0.067 4.027 3.960 -0.000 0.000 0.280 211 G HA3 0.067 4.027 3.960 -0.000 0.000 0.280 211 G C 0.025 174.986 174.900 0.102 0.000 1.067 211 G CA 0.020 45.149 45.100 0.049 0.000 0.902 211 G HN 0.984 nan 8.290 nan 0.000 0.500 212 A N -1.528 121.337 122.820 0.075 0.000 2.483 212 A HA 0.947 5.267 4.320 -0.000 0.000 0.286 212 A C -0.448 177.180 177.584 0.074 0.000 1.207 212 A CA -0.255 51.848 52.037 0.109 0.000 0.764 212 A CB 1.933 20.982 19.000 0.082 0.000 1.341 212 A HN 1.283 nan 8.150 nan 0.000 0.428 213 V N 1.660 121.630 119.914 0.093 0.000 2.325 213 V HA 0.325 4.445 4.120 -0.000 0.000 0.280 213 V C -0.573 175.545 176.094 0.040 0.000 1.016 213 V CA -0.322 62.020 62.300 0.069 0.000 0.818 213 V CB 0.780 32.663 31.823 0.101 0.000 1.019 213 V HN 0.839 nan 8.190 nan 0.000 0.434 214 E N 5.323 125.538 120.200 0.025 0.000 2.174 214 E HA 0.651 5.001 4.350 -0.000 0.000 0.282 214 E C -1.139 175.465 176.600 0.007 0.000 0.992 214 E CA -0.495 55.911 56.400 0.010 0.000 0.803 214 E CB 2.168 31.871 29.700 0.005 0.000 1.090 214 E HN 0.511 nan 8.360 nan 0.000 0.396 215 L N 2.727 123.949 121.223 -0.002 0.000 2.385 215 L HA 0.354 4.694 4.340 -0.000 0.000 0.273 215 L C -0.072 176.790 176.870 -0.013 0.000 0.990 215 L CA -0.927 53.911 54.840 -0.002 0.000 0.821 215 L CB 1.842 43.900 42.059 -0.001 0.000 1.279 215 L HN 0.346 nan 8.230 nan 0.000 0.412 216 E N 1.808 122.000 120.200 -0.012 0.000 2.167 216 E HA 0.110 4.460 4.350 -0.000 0.000 0.284 216 E C 0.346 176.920 176.600 -0.044 0.000 1.016 216 E CA -0.123 56.263 56.400 -0.024 0.000 0.817 216 E CB 1.576 31.266 29.700 -0.016 0.000 1.080 216 E HN 0.692 nan 8.360 nan 0.000 0.397 217 S N 2.578 118.238 115.700 -0.067 0.000 3.243 217 S HA -0.149 4.321 4.470 -0.000 0.000 0.333 217 S C -2.339 172.150 174.600 -0.185 0.000 0.913 217 S CA -0.131 57.997 58.200 -0.119 0.000 1.310 217 S CB -1.515 61.612 63.200 -0.122 0.000 0.894 217 S HN 0.241 nan 8.310 nan 0.000 0.498 218 P HA 0.652 nan 4.420 nan 0.000 0.283 218 P C 0.023 177.209 177.300 -0.190 0.000 1.278 218 P CA -0.985 62.051 63.100 -0.106 0.000 0.834 218 P CB 0.364 32.066 31.700 0.003 0.000 1.150 219 F N -0.249 119.699 119.950 -0.003 0.000 2.370 219 F HA 0.419 4.946 4.527 -0.000 0.000 0.324 219 F C 0.768 176.568 175.800 -0.001 0.000 1.116 219 F CA -0.085 57.914 58.000 -0.001 0.000 1.123 219 F CB 0.249 39.249 39.000 -0.001 0.000 1.238 219 F HN 0.002 nan 8.300 nan 0.000 0.536 220 I N 3.326 124.009 120.570 0.188 0.000 2.436 220 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 220 I C -1.057 175.117 176.117 0.095 0.000 1.010 220 I CA -0.486 60.880 61.300 0.110 0.000 1.098 220 I CB 1.653 39.698 38.000 0.075 0.000 1.266 220 I HN 0.331 nan 8.210 nan 0.000 0.434 221 L N 7.682 128.945 121.223 0.067 0.000 2.275 221 L HA 0.541 4.881 4.340 -0.000 0.000 0.288 221 L C -1.147 175.740 176.870 0.029 0.000 1.046 221 L CA -0.482 54.383 54.840 0.041 0.000 0.805 221 L CB 1.154 43.227 42.059 0.024 0.000 1.193 221 L HN 0.608 nan 8.230 nan 0.000 0.426 222 L N 6.053 127.288 121.223 0.021 0.000 2.356 222 L HA 0.496 4.836 4.340 -0.000 0.000 0.264 222 L C 0.017 176.888 176.870 0.001 0.000 1.029 222 L CA -0.245 54.600 54.840 0.009 0.000 0.897 222 L CB 1.393 43.456 42.059 0.007 0.000 1.256 222 L HN 0.671 nan 8.230 nan 0.000 0.444 223 A N 0.847 123.666 122.820 -0.001 0.000 2.317 223 A HA 0.380 4.699 4.320 -0.000 0.000 0.327 223 A C 0.308 177.887 177.584 -0.007 0.000 1.178 223 A CA -0.443 51.592 52.037 -0.002 0.000 0.817 223 A CB 1.221 20.223 19.000 0.002 0.000 1.189 223 A HN 0.687 nan 8.150 nan 0.000 0.489 224 D N 0.651 121.046 120.400 -0.007 0.000 2.305 224 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 224 D C 0.802 177.100 176.300 -0.003 0.000 0.974 224 D CA 1.025 55.020 54.000 -0.009 0.000 0.871 224 D CB 0.157 40.952 40.800 -0.010 0.000 0.947 224 D HN 0.688 nan 8.370 nan 0.000 0.516 225 K N -0.596 119.805 120.400 0.001 0.000 2.210 225 K HA 0.442 4.762 4.320 -0.000 0.000 0.236 225 K C -0.423 176.183 176.600 0.010 0.000 1.016 225 K CA -0.948 55.343 56.287 0.006 0.000 0.913 225 K CB 1.122 33.626 32.500 0.005 0.000 1.141 225 K HN -0.350 nan 8.250 nan 0.000 0.462 226 K N 0.657 121.065 120.400 0.013 0.000 2.270 226 K HA 0.197 4.517 4.320 -0.000 0.000 0.276 226 K C -0.492 176.118 176.600 0.017 0.000 1.023 226 K CA -0.325 55.973 56.287 0.018 0.000 0.955 226 K CB 0.529 33.040 32.500 0.019 0.000 0.975 226 K HN 0.425 nan 8.250 nan 0.000 0.471 227 I N 3.474 124.057 120.570 0.021 0.000 2.347 227 I HA 0.057 4.227 4.170 -0.000 0.000 0.283 227 I C 0.872 177.003 176.117 0.023 0.000 1.058 227 I CA 0.058 61.371 61.300 0.021 0.000 1.202 227 I CB 0.164 38.178 38.000 0.023 0.000 1.386 227 I HN 0.722 nan 8.210 nan 0.000 0.475 228 S N 4.266 119.977 115.700 0.018 0.000 2.517 228 S HA 0.128 4.598 4.470 -0.000 0.000 0.228 228 S C 0.907 175.516 174.600 0.014 0.000 1.060 228 S CA -0.032 58.178 58.200 0.017 0.000 0.937 228 S CB 0.164 63.372 63.200 0.013 0.000 0.840 228 S HN 0.578 nan 8.310 nan 0.000 0.546 229 N N 1.175 119.882 118.700 0.011 0.000 2.513 229 N HA 0.308 5.048 4.740 -0.000 0.000 0.274 229 N C 0.162 175.678 175.510 0.010 0.000 1.189 229 N CA -0.084 52.971 53.050 0.009 0.000 0.975 229 N CB 1.026 39.517 38.487 0.006 0.000 1.157 229 N HN 0.319 nan 8.380 nan 0.000 0.465 230 I N 1.107 121.683 120.570 0.009 0.000 3.956 230 I HA 0.204 4.374 4.170 -0.000 0.000 0.333 230 I C 2.155 178.276 176.117 0.006 0.000 1.302 230 I CA -0.093 61.213 61.300 0.010 0.000 1.122 230 I CB -0.157 37.850 38.000 0.012 0.000 1.013 230 I HN 0.455 nan 8.210 nan 0.000 0.405 231 R N 2.039 122.541 120.500 0.003 0.000 2.090 231 R HA -0.118 4.222 4.340 -0.000 0.000 0.228 231 R C 1.391 177.690 176.300 -0.001 0.000 1.110 231 R CA 1.507 57.607 56.100 0.001 0.000 0.973 231 R CB 0.100 30.400 30.300 0.000 0.000 0.869 231 R HN 0.392 nan 8.270 nan 0.000 0.440 232 E N -0.174 120.025 120.200 -0.001 0.000 2.516 232 E HA -0.110 4.240 4.350 -0.000 0.000 0.199 232 E C 1.359 177.956 176.600 -0.005 0.000 1.069 232 E CA 0.544 56.942 56.400 -0.003 0.000 0.876 232 E CB 0.005 29.704 29.700 -0.001 0.000 0.843 232 E HN 0.207 nan 8.360 nan 0.000 0.530 233 M N -0.094 119.504 119.600 -0.003 0.000 2.357 233 M HA 0.101 4.581 4.480 -0.000 0.000 0.266 233 M C 1.529 177.822 176.300 -0.012 0.000 1.095 233 M CA 0.991 56.288 55.300 -0.005 0.000 1.156 233 M CB 0.164 32.766 32.600 0.002 0.000 1.365 233 M HN 0.112 nan 8.290 nan 0.000 0.447 234 L N 0.414 121.631 121.223 -0.010 0.000 2.079 234 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 234 L C -0.590 176.267 176.870 -0.022 0.000 1.081 234 L CA 1.196 56.028 54.840 -0.014 0.000 0.752 234 L CB -2.355 39.698 42.059 -0.010 0.000 0.896 234 L HN 0.244 nan 8.230 nan 0.000 0.433 235 P HA -0.149 nan 4.420 nan 0.000 0.216 235 P C 1.698 178.971 177.300 -0.044 0.000 1.150 235 P CA 1.930 65.013 63.100 -0.029 0.000 0.837 235 P CB -0.097 31.588 31.700 -0.024 0.000 0.786 236 V N -3.170 116.716 119.914 -0.048 0.000 2.575 236 V HA 0.014 4.134 4.120 -0.000 0.000 0.242 236 V C 2.394 178.438 176.094 -0.084 0.000 1.045 236 V CA 0.689 62.946 62.300 -0.073 0.000 1.065 236 V CB -1.809 29.976 31.823 -0.064 0.000 0.717 236 V HN -0.103 nan 8.190 nan 0.000 0.467 237 L N 0.903 122.094 121.223 -0.053 0.000 2.362 237 L HA 0.044 4.384 4.340 -0.000 0.000 0.219 237 L C 2.299 179.142 176.870 -0.044 0.000 1.134 237 L CA 1.983 56.797 54.840 -0.043 0.000 0.807 237 L CB -0.743 41.305 42.059 -0.018 0.000 0.927 237 L HN 0.558 nan 8.230 nan 0.000 0.447 238 E N -1.301 118.871 120.200 -0.048 0.000 2.364 238 E HA 0.033 4.383 4.350 -0.000 0.000 0.196 238 E C 1.936 178.500 176.600 -0.060 0.000 0.990 238 E CA 0.628 57.002 56.400 -0.042 0.000 0.886 238 E CB 0.317 29.999 29.700 -0.030 0.000 0.866 238 E HN 0.527 nan 8.360 nan 0.000 0.493 239 A N 0.899 123.666 122.820 -0.089 0.000 2.016 239 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 239 A C 2.155 179.631 177.584 -0.179 0.000 1.162 239 A CA 1.180 53.145 52.037 -0.120 0.000 0.662 239 A CB -0.268 18.651 19.000 -0.134 0.000 0.812 239 A HN 0.219 nan 8.150 nan 0.000 0.450 240 V N -3.806 115.985 119.914 -0.204 0.000 3.608 240 V HA 0.405 4.525 4.120 -0.000 0.000 0.269 240 V C 2.028 178.075 176.094 -0.078 0.000 1.245 240 V CA 1.032 63.190 62.300 -0.237 0.000 1.138 240 V CB -0.533 31.115 31.823 -0.291 0.000 0.841 240 V HN 0.392 nan 8.190 nan 0.000 0.451 241 A N 1.148 123.935 122.820 -0.055 0.000 1.897 241 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 241 A C 2.175 179.754 177.584 -0.009 0.000 1.181 241 A CA 1.600 53.627 52.037 -0.017 0.000 0.620 241 A CB -0.365 18.626 19.000 -0.016 0.000 0.821 241 A HN 0.554 nan 8.150 nan 0.000 0.443 242 K N -0.336 120.051 120.400 -0.023 0.000 2.444 242 K HA 0.289 4.609 4.320 -0.000 0.000 0.193 242 K C 1.203 177.803 176.600 0.001 0.000 1.024 242 K CA 0.457 56.738 56.287 -0.010 0.000 1.077 242 K CB 0.141 32.630 32.500 -0.017 0.000 0.833 242 K HN 0.401 nan 8.250 nan 0.000 0.517 243 A N 0.252 123.074 122.820 0.003 0.000 2.348 243 A HA 0.289 4.609 4.320 -0.000 0.000 0.224 243 A C 1.511 179.162 177.584 0.113 0.000 1.227 243 A CA 0.596 52.670 52.037 0.061 0.000 0.885 243 A CB -0.104 18.921 19.000 0.042 0.000 0.933 243 A HN 0.352 nan 8.150 nan 0.000 0.506 244 G N -0.060 108.785 108.800 0.075 0.000 2.353 244 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.258 244 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.258 244 G C 0.468 175.425 174.900 0.096 0.000 1.013 244 G CA 0.964 46.107 45.100 0.072 0.000 0.622 244 G HN 0.606 nan 8.290 nan 0.000 0.535 245 K N 1.315 121.817 120.400 0.170 0.000 2.098 245 K HA 0.520 4.840 4.320 -0.000 0.000 0.257 245 K C -2.224 174.485 176.600 0.181 0.000 0.999 245 K CA -1.721 54.676 56.287 0.184 0.000 0.924 245 K CB 0.963 33.615 32.500 0.254 0.000 1.028 245 K HN 0.095 nan 8.250 nan 0.000 0.466 246 P HA 0.187 nan 4.420 nan 0.000 0.277 246 P C -1.118 176.278 177.300 0.161 0.000 1.276 246 P CA -0.591 62.574 63.100 0.107 0.000 0.788 246 P CB 0.532 32.267 31.700 0.059 0.000 1.114 247 L N 0.375 121.658 121.223 0.100 0.000 2.526 247 L HA 0.426 4.766 4.340 -0.000 0.000 0.263 247 L C -1.860 175.029 176.870 0.032 0.000 0.943 247 L CA -0.736 54.167 54.840 0.105 0.000 0.859 247 L CB 1.606 43.713 42.059 0.080 0.000 1.313 247 L HN 0.279 nan 8.230 nan 0.000 0.406 248 L N 5.780 127.027 121.223 0.040 0.000 2.295 248 L HA 0.558 4.898 4.340 -0.000 0.000 0.285 248 L C -0.758 176.118 176.870 0.009 0.000 1.035 248 L CA -0.528 54.313 54.840 0.002 0.000 0.806 248 L CB 1.764 43.836 42.059 0.021 0.000 1.214 248 L HN 0.617 nan 8.230 nan 0.000 0.426 249 I N 6.120 126.676 120.570 -0.022 0.000 2.355 249 I HA 0.376 4.546 4.170 -0.000 0.000 0.288 249 I C -0.322 175.806 176.117 0.018 0.000 0.999 249 I CA -0.387 60.911 61.300 -0.004 0.000 1.163 249 I CB 1.646 39.633 38.000 -0.022 0.000 1.316 249 I HN 0.407 nan 8.210 nan 0.000 0.454 250 I N 6.103 126.692 120.570 0.032 0.000 2.355 250 I HA 0.765 4.935 4.170 -0.000 0.000 0.288 250 I C 0.104 176.225 176.117 0.007 0.000 0.999 250 I CA -0.245 61.074 61.300 0.032 0.000 1.163 250 I CB 1.502 39.523 38.000 0.034 0.000 1.316 250 I HN 0.656 nan 8.210 nan 0.000 0.454 251 A N 4.651 127.476 122.820 0.008 0.000 2.564 251 A HA 0.473 4.793 4.320 -0.000 0.000 0.288 251 A C 0.665 178.252 177.584 0.006 0.000 1.164 251 A CA -0.532 51.508 52.037 0.004 0.000 0.712 251 A CB 1.369 20.376 19.000 0.012 0.000 1.303 251 A HN 0.694 nan 8.150 nan 0.000 0.418 252 E N -0.289 119.915 120.200 0.007 0.000 2.114 252 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 252 E C -0.197 176.419 176.600 0.027 0.000 1.008 252 E CA 1.874 58.283 56.400 0.015 0.000 0.810 252 E CB 0.160 29.870 29.700 0.017 0.000 0.739 252 E HN 0.571 nan 8.360 nan 0.000 0.456 253 D N -2.326 118.091 120.400 0.030 0.000 2.738 253 D HA 0.182 4.822 4.640 -0.000 0.000 0.308 253 D C -1.734 174.591 176.300 0.043 0.000 1.311 253 D CA -0.449 53.576 54.000 0.041 0.000 0.799 253 D CB 1.981 42.805 40.800 0.039 0.000 1.332 253 D HN -0.226 nan 8.370 nan 0.000 0.441 254 V N 1.791 121.739 119.914 0.056 0.000 2.447 254 V HA 0.317 4.437 4.120 -0.000 0.000 0.292 254 V C -0.197 175.932 176.094 0.059 0.000 1.021 254 V CA -0.662 61.674 62.300 0.059 0.000 0.850 254 V CB 1.508 33.378 31.823 0.079 0.000 1.005 254 V HN 0.410 nan 8.190 nan 0.000 0.426 255 E N 2.494 122.719 120.200 0.042 0.000 2.349 255 E HA 0.475 4.825 4.350 -0.000 0.000 0.265 255 E C 1.485 178.102 176.600 0.028 0.000 1.064 255 E CA 0.785 57.204 56.400 0.032 0.000 0.886 255 E CB 1.470 31.183 29.700 0.023 0.000 1.036 255 E HN 0.686 nan 8.360 nan 0.000 0.413 256 G N 2.255 111.066 108.800 0.017 0.000 2.656 256 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.223 256 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.223 256 G C 1.303 176.203 174.900 0.001 0.000 1.130 256 G CA 1.533 46.635 45.100 0.003 0.000 0.758 256 G HN 0.703 nan 8.290 nan 0.000 0.608 257 E N 0.304 120.507 120.200 0.005 0.000 2.031 257 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 257 E C 2.763 179.369 176.600 0.011 0.000 0.994 257 E CA 1.171 57.574 56.400 0.004 0.000 0.800 257 E CB -0.252 29.451 29.700 0.005 0.000 0.752 257 E HN 0.417 nan 8.360 nan 0.000 0.447 258 A N 0.639 123.472 122.820 0.021 0.000 2.030 258 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 258 A C 2.051 179.665 177.584 0.050 0.000 1.164 258 A CA 0.361 52.417 52.037 0.031 0.000 0.697 258 A CB -0.374 18.645 19.000 0.032 0.000 0.827 258 A HN 0.374 nan 8.150 nan 0.000 0.457 259 L N -0.228 121.028 121.223 0.055 0.000 1.976 259 L HA -0.085 4.254 4.340 -0.000 0.000 0.209 259 L C 2.717 179.610 176.870 0.038 0.000 1.071 259 L CA 1.855 56.746 54.840 0.085 0.000 0.746 259 L CB -0.390 41.714 42.059 0.076 0.000 0.890 259 L HN 0.314 nan 8.230 nan 0.000 0.432 260 A N -0.838 121.972 122.820 -0.015 0.000 2.024 260 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 260 A C 2.282 179.841 177.584 -0.042 0.000 1.164 260 A CA 2.190 54.188 52.037 -0.066 0.000 0.643 260 A CB -1.238 17.720 19.000 -0.071 0.000 0.806 260 A HN 0.679 nan 8.150 nan 0.000 0.451 261 T N -1.631 112.920 114.554 -0.005 0.000 2.812 261 T HA 0.013 4.363 4.350 -0.000 0.000 0.264 261 T C 1.820 176.540 174.700 0.033 0.000 1.042 261 T CA 1.203 63.308 62.100 0.008 0.000 1.140 261 T CB -0.449 68.427 68.868 0.014 0.000 0.870 261 T HN 0.294 nan 8.240 nan 0.000 0.445 262 L N 0.627 121.892 121.223 0.070 0.000 2.093 262 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 262 L C 2.900 179.868 176.870 0.164 0.000 1.085 262 L CA 0.597 55.520 54.840 0.138 0.000 0.755 262 L CB -0.557 41.625 42.059 0.205 0.000 0.904 262 L HN 0.162 nan 8.230 nan 0.000 0.435 263 V N -0.323 119.622 119.914 0.053 0.000 2.255 263 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 263 V C 2.272 178.332 176.094 -0.056 0.000 1.051 263 V CA 1.786 64.009 62.300 -0.128 0.000 1.018 263 V CB -0.214 31.416 31.823 -0.321 0.000 0.641 263 V HN 0.251 nan 8.190 nan 0.000 0.445 264 V N 0.100 119.989 119.914 -0.041 0.000 3.217 264 V HA -0.092 4.028 4.120 -0.000 0.000 0.264 264 V C 2.029 178.136 176.094 0.022 0.000 1.135 264 V CA 1.435 63.729 62.300 -0.009 0.000 1.142 264 V CB -0.958 30.851 31.823 -0.023 0.000 0.754 264 V HN 0.597 nan 8.190 nan 0.000 0.484 265 N N 0.822 119.546 118.700 0.039 0.000 2.494 265 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 265 N C 1.836 177.387 175.510 0.069 0.000 1.076 265 N CA 1.621 54.702 53.050 0.051 0.000 0.908 265 N CB 0.390 38.910 38.487 0.056 0.000 0.967 265 N HN 0.737 nan 8.380 nan 0.000 0.449 266 T N -1.532 113.077 114.554 0.093 0.000 3.082 266 T HA 0.095 4.445 4.350 -0.000 0.000 0.235 266 T C 1.144 175.885 174.700 0.069 0.000 0.991 266 T CA -0.202 61.961 62.100 0.104 0.000 1.220 266 T CB -0.291 68.690 68.868 0.188 0.000 0.909 266 T HN 0.097 nan 8.240 nan 0.000 0.424 267 M N 1.472 121.109 119.600 0.062 0.000 2.292 267 M HA 0.634 5.114 4.480 -0.000 0.000 0.342 267 M C 0.454 176.771 176.300 0.029 0.000 1.538 267 M CA -0.397 54.925 55.300 0.036 0.000 1.163 267 M CB 0.538 33.158 32.600 0.034 0.000 1.823 267 M HN 0.182 nan 8.290 nan 0.000 0.462 268 R N 0.885 121.396 120.500 0.017 0.000 3.728 268 R HA -0.090 4.250 4.340 -0.000 0.000 0.478 268 R C -0.273 176.036 176.300 0.015 0.000 0.932 268 R CA 1.109 57.216 56.100 0.012 0.000 1.317 268 R CB -2.135 28.172 30.300 0.011 0.000 1.987 268 R HN 1.146 nan 8.270 nan 0.000 0.509 269 G N -0.958 107.856 108.800 0.024 0.000 2.685 269 G HA2 0.629 4.589 3.960 -0.000 0.000 0.298 269 G HA3 0.629 4.589 3.960 -0.000 0.000 0.298 269 G C 1.267 176.182 174.900 0.026 0.000 1.277 269 G CA -0.327 44.789 45.100 0.025 0.000 0.986 269 G HN -0.009 nan 8.290 nan 0.000 0.487 270 I N -0.455 120.130 120.570 0.024 0.000 2.070 270 I HA -0.071 4.099 4.170 -0.000 0.000 0.224 270 I C 0.810 176.944 176.117 0.029 0.000 1.049 270 I CA 0.799 62.112 61.300 0.022 0.000 1.334 270 I CB -0.614 37.395 38.000 0.016 0.000 1.095 270 I HN 0.008 nan 8.210 nan 0.000 0.391 271 V N 1.967 121.899 119.914 0.032 0.000 2.455 271 V HA 0.087 4.207 4.120 -0.000 0.000 0.273 271 V C 0.122 176.248 176.094 0.053 0.000 1.045 271 V CA -0.468 61.854 62.300 0.037 0.000 0.976 271 V CB 0.442 32.282 31.823 0.029 0.000 0.993 271 V HN 0.224 nan 8.190 nan 0.000 0.475 272 K N 4.246 124.680 120.400 0.056 0.000 2.273 272 K HA 0.501 4.821 4.320 -0.000 0.000 0.287 272 K C -0.393 176.245 176.600 0.063 0.000 1.089 272 K CA -0.188 56.141 56.287 0.071 0.000 0.909 272 K CB 0.887 33.423 32.500 0.061 0.000 1.123 272 K HN 0.730 nan 8.250 nan 0.000 0.473 273 V N -0.260 119.696 119.914 0.071 0.000 3.126 273 V HA 0.978 5.098 4.120 -0.000 0.000 0.314 273 V C -0.926 175.075 176.094 -0.154 0.000 1.138 273 V CA -1.014 61.281 62.300 -0.007 0.000 1.034 273 V CB 1.867 33.686 31.823 -0.007 0.000 1.075 273 V HN 0.654 nan 8.190 nan 0.000 0.442 274 A N 0.884 123.484 122.820 -0.366 0.000 2.587 274 A HA 1.076 5.396 4.320 -0.000 0.000 0.293 274 A C -0.479 176.737 177.584 -0.614 0.000 1.087 274 A CA -0.358 51.116 52.037 -0.938 0.000 0.692 274 A CB 1.705 20.356 19.000 -0.582 0.000 1.291 274 A HN 2.590 nan 8.150 nan 0.000 0.407 275 A N 0.069 122.472 122.820 -0.695 0.000 2.486 275 A HA 0.820 5.140 4.320 -0.000 0.000 0.300 275 A C -0.717 176.842 177.584 -0.042 0.000 1.048 275 A CA -0.061 51.842 52.037 -0.224 0.000 0.696 275 A CB 1.380 20.311 19.000 -0.116 0.000 1.278 275 A HN 2.271 nan 8.150 nan 0.000 0.405 276 V N -0.875 119.064 119.914 0.042 0.000 2.925 276 V HA 0.601 4.721 4.120 -0.000 0.000 0.311 276 V C -0.374 175.787 176.094 0.111 0.000 1.104 276 V CA -1.278 61.091 62.300 0.116 0.000 0.954 276 V CB 1.551 33.479 31.823 0.175 0.000 1.022 276 V HN 0.861 nan 8.190 nan 0.000 0.427 277 K N 2.010 122.474 120.400 0.108 0.000 2.436 277 K HA 0.538 4.858 4.320 -0.000 0.000 0.275 277 K C 0.552 177.170 176.600 0.031 0.000 0.999 277 K CA 0.419 56.746 56.287 0.068 0.000 0.980 277 K CB 1.079 33.618 32.500 0.065 0.000 0.919 277 K HN 1.106 nan 8.250 nan 0.000 0.484 278 A N 5.130 127.927 122.820 -0.039 0.000 2.462 278 A HA 0.191 4.511 4.320 -0.000 0.000 0.243 278 A C -2.011 175.464 177.584 -0.182 0.000 1.076 278 A CA -1.081 50.856 52.037 -0.166 0.000 0.773 278 A CB -0.339 18.586 19.000 -0.125 0.000 1.010 278 A HN 0.461 nan 8.150 nan 0.000 0.493 279 P HA 0.381 nan 4.420 nan 0.000 0.272 279 P C 0.764 178.019 177.300 -0.074 0.000 1.223 279 P CA 1.369 64.334 63.100 -0.224 0.000 0.784 279 P CB 0.518 31.978 31.700 -0.401 0.000 0.923 280 G N 1.499 110.323 108.800 0.041 0.000 2.645 280 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.239 280 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.239 280 G C -0.878 174.170 174.900 0.246 0.000 1.331 280 G CA 0.112 45.294 45.100 0.136 0.000 0.890 280 G HN 0.779 nan 8.290 nan 0.000 0.572 281 F N -2.363 117.583 119.950 -0.006 0.000 2.654 281 F HA 0.743 5.270 4.527 -0.000 0.000 0.308 281 F C 0.993 176.795 175.800 0.003 0.000 1.108 281 F CA 0.413 58.412 58.000 -0.001 0.000 0.957 281 F CB 1.048 40.053 39.000 0.009 0.000 1.309 281 F HN 2.457 nan 8.300 nan 0.000 0.446 282 G N 1.855 110.635 108.800 -0.034 0.000 2.574 282 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.301 282 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.301 282 G C 0.461 175.273 174.900 -0.146 0.000 1.166 282 G CA 0.660 45.688 45.100 -0.119 0.000 0.971 282 G HN 0.857 nan 8.290 nan 0.000 0.542 283 D N 0.563 120.845 120.400 -0.198 0.000 2.277 283 D HA 0.050 4.689 4.640 -0.000 0.000 0.208 283 D C 2.509 178.726 176.300 -0.138 0.000 0.962 283 D CA 0.955 54.874 54.000 -0.134 0.000 0.865 283 D CB -0.019 40.714 40.800 -0.111 0.000 0.939 283 D HN 0.252 nan 8.370 nan 0.000 0.510 284 R N 1.456 121.836 120.500 -0.200 0.000 2.061 284 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 284 R C 2.306 178.537 176.300 -0.115 0.000 1.140 284 R CA 1.275 57.281 56.100 -0.157 0.000 0.940 284 R CB -0.240 29.948 30.300 -0.186 0.000 0.839 284 R HN 0.189 nan 8.270 nan 0.000 0.429 285 R N 0.590 121.025 120.500 -0.108 0.000 2.200 285 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 285 R C 1.653 177.907 176.300 -0.077 0.000 1.127 285 R CA 1.157 57.206 56.100 -0.086 0.000 0.989 285 R CB -0.338 29.928 30.300 -0.056 0.000 0.869 285 R HN 0.061 nan 8.270 nan 0.000 0.459 286 K N 1.233 121.591 120.400 -0.070 0.000 1.991 286 K HA -0.084 4.236 4.320 -0.000 0.000 0.212 286 K C 2.235 178.802 176.600 -0.054 0.000 1.049 286 K CA 1.797 58.051 56.287 -0.055 0.000 0.932 286 K CB -0.305 32.165 32.500 -0.050 0.000 0.717 286 K HN 0.339 nan 8.250 nan 0.000 0.441 287 A N 0.902 123.686 122.820 -0.060 0.000 2.021 287 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 287 A C 2.113 179.661 177.584 -0.059 0.000 1.163 287 A CA 0.588 52.593 52.037 -0.053 0.000 0.676 287 A CB -0.206 18.764 19.000 -0.051 0.000 0.818 287 A HN 0.139 nan 8.150 nan 0.000 0.453 288 M N -0.943 118.611 119.600 -0.075 0.000 2.229 288 M HA -0.089 4.390 4.480 -0.000 0.000 0.264 288 M C 2.057 178.292 176.300 -0.107 0.000 1.063 288 M CA 1.203 56.450 55.300 -0.090 0.000 1.114 288 M CB -0.345 32.190 32.600 -0.108 0.000 1.387 288 M HN 0.497 nan 8.290 nan 0.000 0.420 289 L N 0.201 121.362 121.223 -0.103 0.000 2.179 289 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 289 L C 2.299 179.134 176.870 -0.059 0.000 1.096 289 L CA 1.656 56.437 54.840 -0.099 0.000 0.779 289 L CB -0.594 41.414 42.059 -0.086 0.000 0.922 289 L HN 0.197 nan 8.230 nan 0.000 0.443 290 Q N -0.219 119.553 119.800 -0.046 0.000 2.124 290 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 290 Q C 1.722 177.709 176.000 -0.023 0.000 0.977 290 Q CA 1.916 57.701 55.803 -0.029 0.000 0.850 290 Q CB -0.227 28.495 28.738 -0.027 0.000 0.901 290 Q HN 0.514 nan 8.270 nan 0.000 0.429 291 D N -0.255 120.127 120.400 -0.029 0.000 2.116 291 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 291 D C 1.749 178.047 176.300 -0.003 0.000 0.998 291 D CA 1.471 55.461 54.000 -0.017 0.000 0.836 291 D CB -0.202 40.586 40.800 -0.021 0.000 0.951 291 D HN 0.362 nan 8.370 nan 0.000 0.449 292 I N 0.934 121.500 120.570 -0.007 0.000 2.226 292 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 292 I C 2.454 178.582 176.117 0.019 0.000 1.100 292 I CA 1.020 62.332 61.300 0.021 0.000 1.374 292 I CB -0.221 37.790 38.000 0.020 0.000 1.057 292 I HN -0.073 nan 8.210 nan 0.000 0.413 293 A N 0.529 123.352 122.820 0.005 0.000 1.892 293 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 293 A C 2.407 179.997 177.584 0.010 0.000 1.188 293 A CA 2.760 54.802 52.037 0.009 0.000 0.631 293 A CB -1.313 17.688 19.000 0.001 0.000 0.822 293 A HN 0.425 nan 8.150 nan 0.000 0.447 294 T N 0.019 114.576 114.554 0.005 0.000 2.684 294 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 294 T C 1.832 176.537 174.700 0.008 0.000 1.036 294 T CA 1.568 63.671 62.100 0.004 0.000 1.148 294 T CB -0.434 68.434 68.868 0.000 0.000 0.863 294 T HN 0.322 nan 8.240 nan 0.000 0.436 295 L N 1.822 123.052 121.223 0.012 0.000 2.083 295 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 295 L C 2.485 179.363 176.870 0.012 0.000 1.083 295 L CA 2.131 56.979 54.840 0.014 0.000 0.752 295 L CB -1.017 41.056 42.059 0.023 0.000 0.899 295 L HN 0.456 nan 8.230 nan 0.000 0.433 296 T N -3.952 110.612 114.554 0.017 0.000 3.081 296 T HA 0.307 4.657 4.350 -0.000 0.000 0.250 296 T C 1.289 175.997 174.700 0.014 0.000 1.100 296 T CA 0.238 62.347 62.100 0.015 0.000 1.038 296 T CB -0.357 68.527 68.868 0.027 0.000 0.962 296 T HN 0.641 nan 8.240 nan 0.000 0.516 297 G N 0.570 109.379 108.800 0.014 0.000 2.298 297 G HA2 0.126 4.086 3.960 -0.000 0.000 0.287 297 G HA3 0.126 4.086 3.960 -0.000 0.000 0.287 297 G C 0.240 175.155 174.900 0.026 0.000 1.075 297 G CA -0.185 44.925 45.100 0.016 0.000 0.960 297 G HN 1.038 nan 8.290 nan 0.000 0.502 298 G N -1.494 107.322 108.800 0.027 0.000 3.013 298 G HA2 0.892 4.852 3.960 -0.000 0.000 0.278 298 G HA3 0.892 4.852 3.960 -0.000 0.000 0.278 298 G C -0.396 174.517 174.900 0.022 0.000 1.353 298 G CA 0.186 45.306 45.100 0.034 0.000 1.043 298 G HN 0.750 nan 8.290 nan 0.000 0.523 299 T N -0.042 114.525 114.554 0.021 0.000 2.856 299 T HA 0.519 4.869 4.350 -0.000 0.000 0.283 299 T C 0.061 174.765 174.700 0.008 0.000 1.008 299 T CA -0.445 61.661 62.100 0.012 0.000 0.997 299 T CB 1.618 70.492 68.868 0.010 0.000 0.992 299 T HN 0.903 nan 8.240 nan 0.000 0.454 300 V N 0.736 120.650 119.914 0.001 0.000 2.432 300 V HA 0.510 4.630 4.120 -0.000 0.000 0.271 300 V C -0.128 175.964 176.094 -0.003 0.000 1.046 300 V CA -0.776 61.522 62.300 -0.004 0.000 0.945 300 V CB -0.187 31.630 31.823 -0.011 0.000 0.992 300 V HN 0.747 nan 8.190 nan 0.000 0.471 301 I N 5.081 125.649 120.570 -0.003 0.000 2.260 301 I HA 0.234 4.404 4.170 -0.000 0.000 0.297 301 I C 0.846 176.960 176.117 -0.005 0.000 1.143 301 I CA 1.065 62.364 61.300 -0.003 0.000 1.271 301 I CB 0.069 38.068 38.000 -0.002 0.000 1.461 301 I HN 0.737 nan 8.210 nan 0.000 0.530 302 S N 4.614 120.311 115.700 -0.005 0.000 2.616 302 S HA 0.307 4.777 4.470 -0.000 0.000 0.277 302 S C 1.055 175.652 174.600 -0.005 0.000 1.234 302 S CA -0.795 57.402 58.200 -0.006 0.000 1.028 302 S CB 1.662 64.857 63.200 -0.008 0.000 0.988 302 S HN 0.482 nan 8.310 nan 0.000 0.522 303 E N 1.496 121.694 120.200 -0.004 0.000 2.190 303 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 303 E C 1.072 177.670 176.600 -0.003 0.000 0.978 303 E CA 0.733 57.132 56.400 -0.003 0.000 0.839 303 E CB -0.101 29.598 29.700 -0.001 0.000 0.787 303 E HN 0.615 nan 8.360 nan 0.000 0.473 304 E N 0.277 120.474 120.200 -0.004 0.000 2.516 304 E HA 0.008 4.358 4.350 -0.000 0.000 0.199 304 E C 1.496 178.094 176.600 -0.004 0.000 1.069 304 E CA 0.341 56.738 56.400 -0.004 0.000 0.876 304 E CB 0.007 29.704 29.700 -0.006 0.000 0.843 304 E HN 0.289 nan 8.360 nan 0.000 0.530 305 I N -1.963 118.605 120.570 -0.004 0.000 4.035 305 I HA 0.267 4.437 4.170 -0.000 0.000 0.321 305 I C 1.555 177.670 176.117 -0.003 0.000 1.289 305 I CA 0.388 61.686 61.300 -0.004 0.000 1.236 305 I CB 0.597 38.594 38.000 -0.004 0.000 1.076 305 I HN 0.225 nan 8.210 nan 0.000 0.418 306 G N 1.409 110.207 108.800 -0.003 0.000 2.254 306 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.225 306 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.225 306 G C 0.457 175.355 174.900 -0.003 0.000 1.003 306 G CA -0.325 44.773 45.100 -0.002 0.000 0.622 306 G HN 0.215 nan 8.290 nan 0.000 0.507 307 M N 1.459 121.057 119.600 -0.003 0.000 2.255 307 M HA 0.295 4.775 4.480 -0.000 0.000 0.356 307 M C 0.530 176.828 176.300 -0.003 0.000 1.338 307 M CA 1.102 56.400 55.300 -0.003 0.000 0.962 307 M CB 0.306 32.905 32.600 -0.003 0.000 1.877 307 M HN 0.349 nan 8.290 nan 0.000 0.463 308 E N 2.027 122.225 120.200 -0.003 0.000 2.281 308 E HA 0.334 4.683 4.350 -0.000 0.000 0.262 308 E C 0.296 176.894 176.600 -0.004 0.000 0.933 308 E CA -0.658 55.740 56.400 -0.003 0.000 0.809 308 E CB 1.556 31.254 29.700 -0.003 0.000 1.242 308 E HN 0.703 nan 8.360 nan 0.000 0.418 309 L N 1.324 122.544 121.223 -0.004 0.000 2.131 309 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 309 L C 1.993 178.857 176.870 -0.009 0.000 1.092 309 L CA 1.177 56.013 54.840 -0.006 0.000 0.759 309 L CB -0.280 41.777 42.059 -0.004 0.000 0.903 309 L HN 0.595 nan 8.230 nan 0.000 0.435 310 E N 0.444 120.639 120.200 -0.008 0.000 2.153 310 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 310 E C 0.759 177.352 176.600 -0.012 0.000 0.988 310 E CA 0.931 57.325 56.400 -0.010 0.000 0.811 310 E CB -0.011 29.684 29.700 -0.008 0.000 0.746 310 E HN 0.303 nan 8.360 nan 0.000 0.466 311 K N 0.720 121.114 120.400 -0.010 0.000 2.997 311 K HA 0.322 4.642 4.320 -0.000 0.000 0.249 311 K C -0.968 175.625 176.600 -0.011 0.000 1.284 311 K CA -0.201 56.081 56.287 -0.010 0.000 1.245 311 K CB 1.312 33.808 32.500 -0.007 0.000 1.670 311 K HN 0.021 nan 8.250 nan 0.000 0.385 312 A N 0.202 123.013 122.820 -0.015 0.000 2.486 312 A HA 0.681 5.001 4.320 -0.000 0.000 0.300 312 A C -0.412 177.155 177.584 -0.028 0.000 1.048 312 A CA -0.691 51.335 52.037 -0.017 0.000 0.696 312 A CB 1.225 20.216 19.000 -0.015 0.000 1.278 312 A HN 0.248 nan 8.150 nan 0.000 0.405 313 T N 1.289 115.827 114.554 -0.028 0.000 2.841 313 T HA 0.470 4.820 4.350 -0.000 0.000 0.276 313 T C 1.305 175.971 174.700 -0.057 0.000 1.003 313 T CA -0.553 61.522 62.100 -0.042 0.000 0.995 313 T CB 0.581 69.432 68.868 -0.028 0.000 1.260 313 T HN 0.367 nan 8.240 nan 0.000 0.581 314 L N 0.902 122.072 121.223 -0.088 0.000 2.042 314 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 314 L C 2.821 179.697 176.870 0.009 0.000 1.076 314 L CA 1.662 56.431 54.840 -0.118 0.000 0.749 314 L CB -1.064 40.896 42.059 -0.166 0.000 0.893 314 L HN 0.849 nan 8.230 nan 0.000 0.432 315 E N -0.150 120.061 120.200 0.018 0.000 2.171 315 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 315 E C 1.081 177.706 176.600 0.042 0.000 0.997 315 E CA 1.727 58.152 56.400 0.041 0.000 0.810 315 E CB -0.532 29.182 29.700 0.023 0.000 0.738 315 E HN 0.561 nan 8.360 nan 0.000 0.467 316 D N 0.397 120.812 120.400 0.026 0.000 2.317 316 D HA 0.019 4.659 4.640 -0.000 0.000 0.211 316 D C 0.423 176.748 176.300 0.042 0.000 0.966 316 D CA 0.377 54.392 54.000 0.025 0.000 0.876 316 D CB 0.083 40.889 40.800 0.009 0.000 0.927 316 D HN 0.133 nan 8.370 nan 0.000 0.519 317 L N 0.424 121.688 121.223 0.069 0.000 2.421 317 L HA 0.394 4.734 4.340 -0.000 0.000 0.263 317 L C 1.301 178.250 176.870 0.132 0.000 1.122 317 L CA -0.262 54.644 54.840 0.110 0.000 0.804 317 L CB 1.065 43.218 42.059 0.158 0.000 1.150 317 L HN -0.164 nan 8.230 nan 0.000 0.457 318 G N 0.447 109.314 108.800 0.112 0.000 2.522 318 G HA2 0.620 4.580 3.960 -0.000 0.000 0.304 318 G HA3 0.620 4.580 3.960 -0.000 0.000 0.304 318 G C -1.083 173.851 174.900 0.056 0.000 1.210 318 G CA -0.281 44.863 45.100 0.074 0.000 0.960 318 G HN 0.507 nan 8.290 nan 0.000 0.497 319 Q N -1.557 118.237 119.800 -0.010 0.000 2.391 319 Q HA 0.583 4.923 4.340 -0.000 0.000 0.279 319 Q C -1.028 174.926 176.000 -0.076 0.000 1.028 319 Q CA -0.740 55.005 55.803 -0.097 0.000 0.836 319 Q CB 2.613 31.245 28.738 -0.177 0.000 1.414 319 Q HN 0.871 nan 8.270 nan 0.000 0.397 320 A N 1.127 123.890 122.820 -0.094 0.000 2.556 320 A HA 0.481 4.801 4.320 -0.000 0.000 0.294 320 A C -0.440 177.093 177.584 -0.085 0.000 1.091 320 A CA -0.576 51.421 52.037 -0.068 0.000 0.704 320 A CB 1.600 20.576 19.000 -0.040 0.000 1.300 320 A HN 0.753 nan 8.150 nan 0.000 0.406 321 K N -0.556 119.805 120.400 -0.065 0.000 2.296 321 K HA 0.112 4.432 4.320 -0.000 0.000 0.200 321 K C 0.549 177.117 176.600 -0.054 0.000 1.048 321 K CA 1.027 57.276 56.287 -0.063 0.000 0.966 321 K CB 0.123 32.594 32.500 -0.049 0.000 0.754 321 K HN 0.574 nan 8.250 nan 0.000 0.466 322 R N -1.117 119.355 120.500 -0.046 0.000 2.712 322 R HA 0.378 4.718 4.340 -0.000 0.000 0.272 322 R C -2.120 174.158 176.300 -0.036 0.000 1.032 322 R CA -0.657 55.420 56.100 -0.038 0.000 0.874 322 R CB 2.466 32.746 30.300 -0.033 0.000 1.256 322 R HN -0.101 nan 8.270 nan 0.000 0.468 323 V N 1.812 121.706 119.914 -0.033 0.000 2.882 323 V HA 0.585 4.705 4.120 -0.000 0.000 0.295 323 V C -1.759 174.315 176.094 -0.033 0.000 1.273 323 V CA -0.516 61.761 62.300 -0.038 0.000 0.949 323 V CB 2.063 33.866 31.823 -0.033 0.000 1.071 323 V HN 0.577 nan 8.190 nan 0.000 0.432 324 V N 5.088 124.975 119.914 -0.045 0.000 2.487 324 V HA 0.829 4.949 4.120 -0.000 0.000 0.298 324 V C -0.730 175.342 176.094 -0.036 0.000 1.028 324 V CA -0.490 61.794 62.300 -0.028 0.000 0.860 324 V CB 1.457 33.267 31.823 -0.022 0.000 0.991 324 V HN 0.762 nan 8.190 nan 0.000 0.427 325 I N 6.530 127.110 120.570 0.016 0.000 2.474 325 I HA 0.595 4.765 4.170 -0.000 0.000 0.294 325 I C 0.206 176.409 176.117 0.144 0.000 1.005 325 I CA -0.155 61.174 61.300 0.048 0.000 1.113 325 I CB 1.890 39.950 38.000 0.099 0.000 1.289 325 I HN 0.982 nan 8.210 nan 0.000 0.436 326 N N 4.713 123.465 118.700 0.087 0.000 3.283 326 N HA 0.308 5.048 4.740 -0.000 0.000 0.338 326 N C 0.622 176.010 175.510 -0.204 0.000 1.517 326 N CA -0.774 52.355 53.050 0.131 0.000 0.733 326 N CB 0.842 39.378 38.487 0.081 0.000 1.797 326 N HN 0.408 nan 8.380 nan 0.000 0.637 327 K N -0.376 119.890 120.400 -0.224 0.000 2.127 327 K HA -0.234 4.086 4.320 -0.000 0.000 0.212 327 K C -0.301 176.040 176.600 -0.430 0.000 1.050 327 K CA 2.946 58.944 56.287 -0.482 0.000 0.929 327 K CB -0.227 32.196 32.500 -0.129 0.000 0.715 327 K HN 0.735 nan 8.250 nan 0.000 0.457 328 D N -3.025 117.242 120.400 -0.222 0.000 2.523 328 D HA 0.080 4.720 4.640 -0.000 0.000 0.269 328 D C -0.566 175.684 176.300 -0.083 0.000 1.374 328 D CA -0.365 53.555 54.000 -0.133 0.000 0.820 328 D CB 0.892 41.649 40.800 -0.072 0.000 1.211 328 D HN -0.164 nan 8.370 nan 0.000 0.502 329 T N 0.154 114.646 114.554 -0.103 0.000 2.848 329 T HA 0.603 4.953 4.350 -0.000 0.000 0.285 329 T C -1.050 173.542 174.700 -0.179 0.000 0.995 329 T CA -0.287 61.743 62.100 -0.116 0.000 0.970 329 T CB 1.916 70.732 68.868 -0.087 0.000 0.976 329 T HN -0.118 nan 8.240 nan 0.000 0.441 330 T N 2.488 116.827 114.554 -0.357 0.000 2.807 330 T HA 0.677 5.027 4.350 -0.000 0.000 0.279 330 T C -0.462 173.877 174.700 -0.602 0.000 0.993 330 T CA -0.587 61.214 62.100 -0.499 0.000 0.970 330 T CB 1.512 69.940 68.868 -0.733 0.000 0.950 330 T HN 0.644 nan 8.240 nan 0.000 0.441 331 T N 2.959 117.304 114.554 -0.350 0.000 2.928 331 T HA 0.653 5.003 4.350 -0.000 0.000 0.296 331 T C -0.548 174.059 174.700 -0.155 0.000 1.000 331 T CA -0.929 61.019 62.100 -0.254 0.000 0.989 331 T CB 0.290 69.060 68.868 -0.163 0.000 1.005 331 T HN 0.652 nan 8.240 nan 0.000 0.442 332 I N 2.639 123.144 120.570 -0.108 0.000 2.525 332 I HA 0.788 4.958 4.170 -0.000 0.000 0.301 332 I C -1.235 174.862 176.117 -0.034 0.000 0.992 332 I CA -1.376 59.895 61.300 -0.048 0.000 1.162 332 I CB 1.534 39.533 38.000 -0.001 0.000 1.332 332 I HN 0.605 nan 8.210 nan 0.000 0.458 333 I N 4.453 125.004 120.570 -0.032 0.000 2.466 333 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 333 I C -0.840 175.261 176.117 -0.027 0.000 1.026 333 I CA -0.397 60.886 61.300 -0.029 0.000 1.078 333 I CB 1.554 39.533 38.000 -0.034 0.000 1.249 333 I HN 0.733 nan 8.210 nan 0.000 0.429 334 D N 4.943 125.330 120.400 -0.022 0.000 3.437 334 D HA -0.112 4.528 4.640 -0.000 0.000 0.243 334 D C -0.010 176.275 176.300 -0.025 0.000 1.104 334 D CA 0.786 54.772 54.000 -0.023 0.000 1.009 334 D CB -0.127 40.656 40.800 -0.028 0.000 0.937 334 D HN 0.825 nan 8.370 nan 0.000 0.417 335 G N 0.856 109.647 108.800 -0.016 0.000 2.432 335 G HA2 0.395 4.355 3.960 -0.000 0.000 0.257 335 G HA3 0.395 4.355 3.960 -0.000 0.000 0.257 335 G C 1.375 176.265 174.900 -0.017 0.000 1.238 335 G CA -0.348 44.743 45.100 -0.014 0.000 0.838 335 G HN 0.302 nan 8.290 nan 0.000 0.547 336 V N 2.477 122.378 119.914 -0.022 0.000 3.510 336 V HA 0.041 4.161 4.120 -0.000 0.000 0.270 336 V C 2.064 178.152 176.094 -0.010 0.000 1.201 336 V CA 0.741 63.028 62.300 -0.021 0.000 1.166 336 V CB -1.020 30.785 31.823 -0.032 0.000 0.825 336 V HN 0.796 nan 8.190 nan 0.000 0.484 337 G N 0.879 109.676 108.800 -0.004 0.000 2.353 337 G HA2 0.099 4.059 3.960 -0.000 0.000 0.239 337 G HA3 0.099 4.059 3.960 -0.000 0.000 0.239 337 G C 0.064 174.963 174.900 -0.001 0.000 1.295 337 G CA -0.258 44.842 45.100 0.000 0.000 0.884 337 G HN 0.261 nan 8.290 nan 0.000 0.537 338 E N 1.331 121.531 120.200 -0.000 0.000 2.437 338 E HA -0.018 4.332 4.350 -0.000 0.000 0.263 338 E C 1.280 177.879 176.600 -0.002 0.000 1.030 338 E CA -0.230 56.169 56.400 -0.001 0.000 0.934 338 E CB 0.748 30.448 29.700 0.000 0.000 0.943 338 E HN 0.523 nan 8.360 nan 0.000 0.444 339 E N 1.701 121.899 120.200 -0.003 0.000 2.150 339 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 339 E C 1.642 178.241 176.600 -0.002 0.000 0.985 339 E CA 1.197 57.596 56.400 -0.003 0.000 0.814 339 E CB -0.099 29.599 29.700 -0.004 0.000 0.752 339 E HN 0.548 nan 8.360 nan 0.000 0.466 340 A N 1.286 124.104 122.820 -0.002 0.000 1.873 340 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 340 A C 2.414 179.997 177.584 -0.002 0.000 1.186 340 A CA 2.035 54.071 52.037 -0.002 0.000 0.616 340 A CB -0.626 18.373 19.000 -0.001 0.000 0.823 340 A HN 0.266 nan 8.150 nan 0.000 0.442 341 A N -0.133 122.686 122.820 -0.001 0.000 1.902 341 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 341 A C 2.117 179.700 177.584 -0.002 0.000 1.181 341 A CA 1.592 53.629 52.037 -0.001 0.000 0.623 341 A CB -0.613 18.388 19.000 0.001 0.000 0.818 341 A HN 0.499 nan 8.150 nan 0.000 0.443 342 I N -0.910 119.659 120.570 -0.001 0.000 2.286 342 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 342 I C 2.586 178.701 176.117 -0.003 0.000 1.104 342 I CA 1.023 62.322 61.300 -0.001 0.000 1.397 342 I CB -0.297 37.703 38.000 -0.000 0.000 1.072 342 I HN 0.209 nan 8.210 nan 0.000 0.417 343 Q N 0.812 120.610 119.800 -0.003 0.000 2.170 343 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 343 Q C 2.315 178.313 176.000 -0.004 0.000 0.976 343 Q CA 1.625 57.426 55.803 -0.004 0.000 0.858 343 Q CB -1.001 27.735 28.738 -0.003 0.000 0.907 343 Q HN 0.569 nan 8.270 nan 0.000 0.433 344 G N 0.082 108.880 108.800 -0.004 0.000 2.418 344 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 344 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 344 G C 1.676 176.572 174.900 -0.006 0.000 1.158 344 G CA 0.839 45.936 45.100 -0.004 0.000 0.771 344 G HN 0.278 nan 8.290 nan 0.000 0.545 345 R N -0.237 120.259 120.500 -0.006 0.000 2.148 345 R HA 0.122 4.462 4.340 -0.000 0.000 0.223 345 R C 2.554 178.849 176.300 -0.009 0.000 1.088 345 R CA 0.672 56.768 56.100 -0.008 0.000 0.985 345 R CB -0.433 29.863 30.300 -0.007 0.000 0.880 345 R HN 0.235 nan 8.270 nan 0.000 0.451 346 V N 0.311 120.221 119.914 -0.007 0.000 2.270 346 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 346 V C 2.230 178.319 176.094 -0.009 0.000 1.043 346 V CA 1.985 64.281 62.300 -0.008 0.000 1.014 346 V CB -0.751 31.069 31.823 -0.006 0.000 0.645 346 V HN 0.507 nan 8.190 nan 0.000 0.447 347 A N -1.222 121.593 122.820 -0.007 0.000 2.019 347 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 347 A C 2.156 179.735 177.584 -0.008 0.000 1.164 347 A CA 1.908 53.941 52.037 -0.007 0.000 0.644 347 A CB -0.456 18.541 19.000 -0.006 0.000 0.805 347 A HN 0.646 nan 8.150 nan 0.000 0.449 348 Q N -0.707 119.087 119.800 -0.009 0.000 2.079 348 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 348 Q C 1.949 177.941 176.000 -0.013 0.000 0.974 348 Q CA 1.611 57.408 55.803 -0.011 0.000 0.840 348 Q CB -0.220 28.512 28.738 -0.011 0.000 0.898 348 Q HN 0.790 nan 8.270 nan 0.000 0.430 349 I N -0.196 120.365 120.570 -0.015 0.000 2.480 349 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 349 I C 2.276 178.383 176.117 -0.017 0.000 1.124 349 I CA 0.403 61.692 61.300 -0.018 0.000 1.444 349 I CB -0.218 37.770 38.000 -0.021 0.000 1.098 349 I HN 0.067 nan 8.210 nan 0.000 0.428 350 R N 0.849 121.341 120.500 -0.014 0.000 2.103 350 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 350 R C 2.181 178.475 176.300 -0.011 0.000 1.142 350 R CA 1.686 57.778 56.100 -0.012 0.000 0.960 350 R CB -0.720 29.575 30.300 -0.010 0.000 0.858 350 R HN 0.535 nan 8.270 nan 0.000 0.439 351 Q N 0.906 120.700 119.800 -0.010 0.000 1.975 351 Q HA -0.226 4.114 4.340 -0.000 0.000 0.205 351 Q C 2.024 178.018 176.000 -0.010 0.000 0.990 351 Q CA 1.793 57.591 55.803 -0.009 0.000 0.845 351 Q CB -0.056 28.677 28.738 -0.008 0.000 0.913 351 Q HN 0.407 nan 8.270 nan 0.000 0.420 352 Q N -0.116 119.677 119.800 -0.013 0.000 2.376 352 Q HA -0.181 4.159 4.340 -0.000 0.000 0.211 352 Q C 1.908 177.899 176.000 -0.015 0.000 0.986 352 Q CA 1.144 56.938 55.803 -0.014 0.000 0.886 352 Q CB -0.167 28.560 28.738 -0.018 0.000 0.927 352 Q HN 0.508 nan 8.270 nan 0.000 0.457 353 I N 1.060 121.621 120.570 -0.016 0.000 2.614 353 I HA -0.231 3.939 4.170 -0.000 0.000 0.258 353 I C 2.480 178.591 176.117 -0.010 0.000 1.189 353 I CA 0.892 62.183 61.300 -0.016 0.000 1.462 353 I CB -0.425 37.565 38.000 -0.017 0.000 1.092 353 I HN 0.298 nan 8.210 nan 0.000 0.442 354 E N 1.521 121.716 120.200 -0.008 0.000 2.267 354 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 354 E C 1.524 178.122 176.600 -0.003 0.000 0.998 354 E CA 1.257 57.654 56.400 -0.005 0.000 0.830 354 E CB -0.057 29.640 29.700 -0.004 0.000 0.751 354 E HN 0.470 nan 8.360 nan 0.000 0.491 355 E N 1.410 121.608 120.200 -0.003 0.000 2.021 355 E HA -0.080 4.270 4.350 -0.000 0.000 0.200 355 E C 1.129 177.731 176.600 0.004 0.000 1.015 355 E CA 2.080 58.480 56.400 0.000 0.000 0.824 355 E CB -0.468 29.231 29.700 -0.000 0.000 0.762 355 E HN 0.467 nan 8.360 nan 0.000 0.454 356 A N -0.577 122.246 122.820 0.005 0.000 2.783 356 A HA -0.285 4.035 4.320 -0.000 0.000 0.292 356 A C 1.401 178.995 177.584 0.017 0.000 1.495 356 A CA 1.244 53.287 52.037 0.010 0.000 0.787 356 A CB -2.452 16.553 19.000 0.008 0.000 1.017 356 A HN 0.316 nan 8.150 nan 0.000 0.516 357 T N -1.016 113.550 114.554 0.020 0.000 2.867 357 T HA 0.211 4.561 4.350 -0.000 0.000 0.268 357 T C 0.956 175.677 174.700 0.035 0.000 1.057 357 T CA 1.633 63.747 62.100 0.023 0.000 1.136 357 T CB -0.025 68.856 68.868 0.023 0.000 0.874 357 T HN 1.562 nan 8.240 nan 0.000 0.466 358 S N -0.587 115.144 115.700 0.051 0.000 2.541 358 S HA 0.320 4.790 4.470 -0.000 0.000 0.271 358 S C -0.667 173.980 174.600 0.079 0.000 1.133 358 S CA -0.728 57.515 58.200 0.073 0.000 0.876 358 S CB 1.771 65.036 63.200 0.108 0.000 1.105 358 S HN -0.002 nan 8.310 nan 0.000 0.470 359 D N 1.192 121.639 120.400 0.079 0.000 2.309 359 D HA 0.012 4.652 4.640 -0.000 0.000 0.212 359 D C 1.110 177.465 176.300 0.092 0.000 0.968 359 D CA 1.084 55.124 54.000 0.067 0.000 0.882 359 D CB -0.073 40.762 40.800 0.058 0.000 0.918 359 D HN 0.597 nan 8.370 nan 0.000 0.503 360 Y N 1.218 121.521 120.300 0.004 0.000 2.153 360 Y HA -0.132 4.418 4.550 0.000 0.000 0.289 360 Y C 1.421 177.320 175.900 -0.000 0.000 1.127 360 Y CA 1.641 59.744 58.100 0.005 0.000 1.131 360 Y CB -0.201 38.263 38.460 0.007 0.000 0.995 360 Y HN -0.110 nan 8.280 nan 0.000 0.505 361 D N -0.553 119.872 120.400 0.042 0.000 2.144 361 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 361 D C 2.145 178.394 176.300 -0.085 0.000 0.978 361 D CA 1.157 55.128 54.000 -0.047 0.000 0.833 361 D CB -0.173 40.652 40.800 0.041 0.000 0.961 361 D HN 0.192 nan 8.370 nan 0.000 0.470 362 R N 0.658 121.131 120.500 -0.044 0.000 2.148 362 R HA -0.110 4.230 4.340 -0.000 0.000 0.227 362 R C 1.947 178.208 176.300 -0.065 0.000 1.103 362 R CA 0.949 57.024 56.100 -0.041 0.000 0.983 362 R CB 0.090 30.381 30.300 -0.015 0.000 0.874 362 R HN 0.277 nan 8.270 nan 0.000 0.451 363 E N 0.075 120.217 120.200 -0.097 0.000 2.122 363 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 363 E C 1.530 178.036 176.600 -0.157 0.000 0.977 363 E CA 0.827 57.162 56.400 -0.108 0.000 0.820 363 E CB 0.259 29.902 29.700 -0.096 0.000 0.770 363 E HN -0.012 nan 8.360 nan 0.000 0.462 364 K N 0.381 120.624 120.400 -0.263 0.000 2.155 364 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 364 K C 1.997 178.504 176.600 -0.155 0.000 1.052 364 K CA 0.619 56.744 56.287 -0.271 0.000 0.948 364 K CB 0.033 32.263 32.500 -0.451 0.000 0.728 364 K HN 0.148 nan 8.250 nan 0.000 0.448 365 L N -0.105 121.043 121.223 -0.124 0.000 2.240 365 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 365 L C 2.276 179.110 176.870 -0.060 0.000 1.106 365 L CA 0.665 55.458 54.840 -0.079 0.000 0.793 365 L CB -0.279 41.743 42.059 -0.062 0.000 0.927 365 L HN 0.167 nan 8.230 nan 0.000 0.446 366 Q N 0.983 120.746 119.800 -0.062 0.000 2.119 366 Q HA -0.205 4.135 4.340 -0.000 0.000 0.201 366 Q C 1.900 177.878 176.000 -0.037 0.000 0.972 366 Q CA 1.622 57.399 55.803 -0.043 0.000 0.847 366 Q CB 0.008 28.722 28.738 -0.040 0.000 0.903 366 Q HN 0.463 nan 8.270 nan 0.000 0.433 367 E N -0.597 119.574 120.200 -0.047 0.000 2.150 367 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 367 E C 2.061 178.649 176.600 -0.021 0.000 0.985 367 E CA 0.796 57.177 56.400 -0.032 0.000 0.814 367 E CB -0.006 29.671 29.700 -0.039 0.000 0.752 367 E HN 0.295 nan 8.360 nan 0.000 0.466 368 R N 0.257 120.739 120.500 -0.030 0.000 2.115 368 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 368 R C 2.349 178.641 176.300 -0.014 0.000 1.100 368 R CA 0.713 56.800 56.100 -0.022 0.000 0.980 368 R CB -0.093 30.187 30.300 -0.035 0.000 0.875 368 R HN 0.036 nan 8.270 nan 0.000 0.445 369 V N 1.039 120.942 119.914 -0.018 0.000 2.270 369 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 369 V C 2.470 178.560 176.094 -0.007 0.000 1.043 369 V CA 1.986 64.279 62.300 -0.013 0.000 1.014 369 V CB -0.774 31.040 31.823 -0.015 0.000 0.645 369 V HN 0.379 nan 8.190 nan 0.000 0.447 370 A N -0.072 122.743 122.820 -0.007 0.000 1.892 370 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 370 A C 2.287 179.874 177.584 0.004 0.000 1.188 370 A CA 2.008 54.043 52.037 -0.002 0.000 0.631 370 A CB -0.510 18.488 19.000 -0.003 0.000 0.822 370 A HN 0.425 nan 8.150 nan 0.000 0.447 371 K N -0.910 119.497 120.400 0.011 0.000 2.032 371 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 371 K C 1.931 178.544 176.600 0.021 0.000 1.048 371 K CA 1.339 57.640 56.287 0.024 0.000 0.927 371 K CB -0.834 31.691 32.500 0.043 0.000 0.712 371 K HN 0.440 nan 8.250 nan 0.000 0.441 372 L N 0.578 121.809 121.223 0.014 0.000 2.034 372 L HA 0.027 4.367 4.340 -0.000 0.000 0.203 372 L C 2.124 178.997 176.870 0.006 0.000 1.074 372 L CA 1.921 56.768 54.840 0.012 0.000 0.748 372 L CB -0.888 41.174 42.059 0.006 0.000 0.905 372 L HN 0.131 nan 8.230 nan 0.000 0.439 373 A N -1.172 121.649 122.820 0.002 0.000 2.119 373 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 373 A C 2.160 179.743 177.584 -0.001 0.000 1.152 373 A CA 0.907 52.944 52.037 -0.001 0.000 0.708 373 A CB -1.108 17.890 19.000 -0.003 0.000 0.805 373 A HN 0.504 nan 8.150 nan 0.000 0.460 374 G N -0.606 108.194 108.800 -0.000 0.000 2.448 374 G HA2 0.367 4.327 3.960 -0.000 0.000 0.218 374 G HA3 0.367 4.327 3.960 -0.000 0.000 0.218 374 G C 1.104 176.002 174.900 -0.003 0.000 1.135 374 G CA 0.661 45.761 45.100 -0.001 0.000 0.784 374 G HN 1.597 nan 8.290 nan 0.000 0.543 375 G N -1.609 107.191 108.800 -0.001 0.000 2.877 375 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.279 375 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.279 375 G C -0.627 174.268 174.900 -0.008 0.000 1.431 375 G CA -0.283 44.814 45.100 -0.004 0.000 0.883 375 G HN 0.946 nan 8.290 nan 0.000 0.547 376 V N 0.407 120.314 119.914 -0.012 0.000 2.588 376 V HA 0.746 4.866 4.120 -0.000 0.000 0.304 376 V C 0.724 176.806 176.094 -0.019 0.000 1.042 376 V CA -0.069 62.220 62.300 -0.019 0.000 0.877 376 V CB 1.643 33.451 31.823 -0.024 0.000 0.996 376 V HN 2.036 nan 8.190 nan 0.000 0.425 377 A N 4.503 127.310 122.820 -0.021 0.000 2.252 377 A HA 0.711 5.031 4.320 -0.000 0.000 0.309 377 A C -0.239 177.331 177.584 -0.024 0.000 1.285 377 A CA -0.408 51.617 52.037 -0.020 0.000 0.900 377 A CB 0.837 19.826 19.000 -0.019 0.000 1.157 377 A HN 1.339 nan 8.150 nan 0.000 0.536 378 V N 1.974 121.875 119.914 -0.022 0.000 2.481 378 V HA 0.731 4.851 4.120 -0.000 0.000 0.286 378 V C -0.358 175.724 176.094 -0.020 0.000 1.042 378 V CA -0.604 61.682 62.300 -0.023 0.000 0.928 378 V CB 1.001 32.810 31.823 -0.022 0.000 0.986 378 V HN 0.593 nan 8.190 nan 0.000 0.462 379 I N 5.158 125.716 120.570 -0.020 0.000 2.359 379 I HA 0.421 4.590 4.170 -0.000 0.000 0.284 379 I C 0.256 176.364 176.117 -0.015 0.000 1.018 379 I CA -0.488 60.802 61.300 -0.017 0.000 1.173 379 I CB 1.239 39.229 38.000 -0.017 0.000 1.326 379 I HN 0.619 nan 8.210 nan 0.000 0.462 380 K N 5.615 126.007 120.400 -0.014 0.000 2.316 380 K HA 0.369 4.689 4.320 -0.000 0.000 0.289 380 K C -0.621 175.973 176.600 -0.010 0.000 1.070 380 K CA -0.436 55.844 56.287 -0.012 0.000 0.928 380 K CB 1.577 34.070 32.500 -0.012 0.000 1.039 380 K HN 0.315 nan 8.250 nan 0.000 0.480 381 V N 2.964 122.872 119.914 -0.009 0.000 2.406 381 V HA 0.257 4.377 4.120 -0.000 0.000 0.272 381 V C 0.720 176.810 176.094 -0.007 0.000 1.043 381 V CA -0.610 61.685 62.300 -0.007 0.000 0.915 381 V CB 1.267 33.086 31.823 -0.006 0.000 0.988 381 V HN 0.904 nan 8.190 nan 0.000 0.466 382 G N 3.176 111.973 108.800 -0.006 0.000 2.410 382 G HA2 0.833 4.793 3.960 -0.000 0.000 0.330 382 G HA3 0.833 4.793 3.960 -0.000 0.000 0.330 382 G C -0.487 174.410 174.900 -0.005 0.000 1.142 382 G CA 0.159 45.256 45.100 -0.006 0.000 0.902 382 G HN 1.189 nan 8.290 nan 0.000 0.491 383 A N -0.335 122.483 122.820 -0.005 0.000 2.536 383 A HA 0.797 5.117 4.320 -0.000 0.000 0.293 383 A C 0.776 178.358 177.584 -0.004 0.000 1.119 383 A CA 0.419 52.453 52.037 -0.004 0.000 0.654 383 A CB 0.373 19.371 19.000 -0.004 0.000 1.291 383 A HN 1.771 nan 8.150 nan 0.000 0.439 384 A N -0.796 122.022 122.820 -0.004 0.000 1.935 384 A HA 0.473 4.793 4.320 -0.000 0.000 0.214 384 A C 1.256 178.838 177.584 -0.004 0.000 1.178 384 A CA 2.244 54.279 52.037 -0.004 0.000 0.640 384 A CB -0.386 18.612 19.000 -0.003 0.000 0.825 384 A HN 2.065 nan 8.150 nan 0.000 0.447 385 T N -2.552 111.999 114.554 -0.004 0.000 2.906 385 T HA 0.371 4.721 4.350 -0.000 0.000 0.295 385 T C 0.574 175.271 174.700 -0.004 0.000 1.061 385 T CA 0.076 62.174 62.100 -0.004 0.000 1.000 385 T CB 1.703 70.569 68.868 -0.003 0.000 1.103 385 T HN 0.326 nan 8.240 nan 0.000 0.486 386 E N 1.589 121.787 120.200 -0.004 0.000 2.070 386 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 386 E C 1.899 178.497 176.600 -0.004 0.000 1.004 386 E CA 2.082 58.480 56.400 -0.004 0.000 0.805 386 E CB -0.205 29.493 29.700 -0.004 0.000 0.744 386 E HN 0.595 nan 8.360 nan 0.000 0.451 387 V N 1.108 121.020 119.914 -0.004 0.000 2.332 387 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 387 V C 2.412 178.504 176.094 -0.003 0.000 1.055 387 V CA 2.343 64.641 62.300 -0.003 0.000 1.038 387 V CB -0.678 31.143 31.823 -0.003 0.000 0.651 387 V HN 0.361 nan 8.190 nan 0.000 0.450 388 E N -0.739 119.459 120.200 -0.003 0.000 2.152 388 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 388 E C 2.155 178.753 176.600 -0.003 0.000 0.983 388 E CA 0.975 57.373 56.400 -0.003 0.000 0.818 388 E CB -0.009 29.689 29.700 -0.003 0.000 0.758 388 E HN 0.554 nan 8.360 nan 0.000 0.467 389 M N 0.512 120.110 119.600 -0.003 0.000 2.171 389 M HA -0.071 4.409 4.480 -0.000 0.000 0.260 389 M C 1.952 178.250 176.300 -0.003 0.000 1.087 389 M CA 1.262 56.559 55.300 -0.003 0.000 1.154 389 M CB -0.151 32.446 32.600 -0.004 0.000 1.331 389 M HN -0.128 nan 8.290 nan 0.000 0.431 390 K N 0.310 120.708 120.400 -0.003 0.000 2.362 390 K HA -0.202 4.118 4.320 -0.000 0.000 0.202 390 K C 1.891 178.490 176.600 -0.001 0.000 1.045 390 K CA 1.128 57.413 56.287 -0.003 0.000 0.936 390 K CB -0.079 32.419 32.500 -0.003 0.000 0.747 390 K HN 0.415 nan 8.250 nan 0.000 0.467 391 E N 1.365 121.564 120.200 -0.001 0.000 2.021 391 E HA -0.159 4.191 4.350 -0.000 0.000 0.189 391 E C 1.814 178.414 176.600 0.000 0.000 0.980 391 E CA 1.134 57.534 56.400 -0.001 0.000 0.803 391 E CB 0.046 29.745 29.700 -0.002 0.000 0.766 391 E HN 0.109 nan 8.360 nan 0.000 0.449 392 K N 1.118 121.517 120.400 -0.001 0.000 2.074 392 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 392 K C 2.364 178.965 176.600 0.001 0.000 1.048 392 K CA 1.889 58.175 56.287 -0.000 0.000 0.926 392 K CB -0.163 32.336 32.500 -0.002 0.000 0.713 392 K HN -0.035 nan 8.250 nan 0.000 0.444 393 K N 0.150 120.550 120.400 -0.000 0.000 2.034 393 K HA -0.232 4.087 4.320 -0.000 0.000 0.214 393 K C 1.982 178.585 176.600 0.005 0.000 1.051 393 K CA 1.754 58.041 56.287 0.000 0.000 0.931 393 K CB -0.318 32.181 32.500 -0.001 0.000 0.715 393 K HN 0.245 nan 8.250 nan 0.000 0.446 394 A N 1.322 124.146 122.820 0.007 0.000 1.908 394 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 394 A C 2.196 179.791 177.584 0.018 0.000 1.181 394 A CA 1.778 53.823 52.037 0.014 0.000 0.627 394 A CB -0.612 18.394 19.000 0.011 0.000 0.818 394 A HN 0.439 nan 8.150 nan 0.000 0.445 395 R N -0.672 119.835 120.500 0.012 0.000 2.096 395 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 395 R C 1.987 178.296 176.300 0.015 0.000 1.127 395 R CA 1.535 57.643 56.100 0.012 0.000 0.968 395 R CB -0.341 29.962 30.300 0.006 0.000 0.861 395 R HN 0.361 nan 8.270 nan 0.000 0.440 396 V N 0.932 120.852 119.914 0.011 0.000 2.307 396 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 396 V C 1.939 178.041 176.094 0.015 0.000 1.045 396 V CA 1.920 64.225 62.300 0.008 0.000 1.024 396 V CB -0.407 31.416 31.823 0.000 0.000 0.651 396 V HN 0.403 nan 8.190 nan 0.000 0.449 397 E N -0.283 119.929 120.200 0.019 0.000 2.118 397 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 397 E C 1.970 178.622 176.600 0.087 0.000 0.992 397 E CA 1.438 57.856 56.400 0.030 0.000 0.804 397 E CB -0.162 29.560 29.700 0.036 0.000 0.741 397 E HN 0.616 nan 8.360 nan 0.000 0.458 398 D N 0.138 120.586 120.400 0.080 0.000 2.097 398 D HA -0.134 4.505 4.640 -0.000 0.000 0.195 398 D C 1.921 178.275 176.300 0.091 0.000 0.989 398 D CA 1.334 55.388 54.000 0.091 0.000 0.827 398 D CB -0.114 40.712 40.800 0.044 0.000 0.966 398 D HN 0.157 nan 8.370 nan 0.000 0.456 399 A N 0.914 123.767 122.820 0.054 0.000 1.898 399 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 399 A C 2.320 179.931 177.584 0.045 0.000 1.181 399 A CA 0.723 52.785 52.037 0.042 0.000 0.620 399 A CB -0.822 18.191 19.000 0.022 0.000 0.819 399 A HN 0.225 nan 8.150 nan 0.000 0.442 400 L N -1.197 120.044 121.223 0.031 0.000 1.990 400 L HA -0.268 4.072 4.340 -0.000 0.000 0.213 400 L C 2.658 179.538 176.870 0.017 0.000 1.072 400 L CA 2.113 56.953 54.840 -0.000 0.000 0.755 400 L CB -0.459 41.574 42.059 -0.044 0.000 0.889 400 L HN 0.508 nan 8.230 nan 0.000 0.432 401 H N -0.307 118.763 119.070 -0.001 0.000 2.252 401 H HA -0.213 4.343 4.556 -0.000 0.000 0.292 401 H C 2.117 177.447 175.328 0.004 0.000 1.082 401 H CA 1.916 57.964 56.048 0.001 0.000 1.229 401 H CB -0.406 29.357 29.762 0.001 0.000 1.353 401 H HN 0.535 nan 8.280 nan 0.000 0.488 402 A N -0.280 122.636 122.820 0.160 0.000 2.019 402 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 402 A C 2.644 180.264 177.584 0.059 0.000 1.164 402 A CA 1.954 54.040 52.037 0.082 0.000 0.644 402 A CB -0.674 18.356 19.000 0.051 0.000 0.805 402 A HN 0.472 nan 8.150 nan 0.000 0.449 403 T N -0.410 114.175 114.554 0.052 0.000 2.732 403 T HA -0.094 4.256 4.350 -0.000 0.000 0.261 403 T C 2.024 176.742 174.700 0.030 0.000 1.040 403 T CA 1.306 63.425 62.100 0.031 0.000 1.145 403 T CB -0.222 68.658 68.868 0.019 0.000 0.866 403 T HN 0.537 nan 8.240 nan 0.000 0.427 404 R N 1.142 121.661 120.500 0.032 0.000 2.139 404 R HA -0.039 4.301 4.340 -0.000 0.000 0.243 404 R C 2.545 178.868 176.300 0.040 0.000 1.145 404 R CA 1.333 57.449 56.100 0.027 0.000 0.976 404 R CB -0.359 29.952 30.300 0.018 0.000 0.866 404 R HN 0.340 nan 8.270 nan 0.000 0.449 405 A N 0.556 123.409 122.820 0.055 0.000 2.072 405 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 405 A C 2.178 179.783 177.584 0.036 0.000 1.156 405 A CA 1.035 53.103 52.037 0.051 0.000 0.701 405 A CB -0.106 18.930 19.000 0.060 0.000 0.816 405 A HN 0.350 nan 8.150 nan 0.000 0.458 406 A N -0.485 122.354 122.820 0.032 0.000 1.903 406 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 406 A C 2.073 179.670 177.584 0.020 0.000 1.185 406 A CA 1.312 53.364 52.037 0.024 0.000 0.628 406 A CB -0.778 18.235 19.000 0.022 0.000 0.830 406 A HN 0.303 nan 8.150 nan 0.000 0.446 407 V N 0.437 120.362 119.914 0.019 0.000 2.380 407 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 407 V C 2.388 178.492 176.094 0.016 0.000 1.063 407 V CA 2.441 64.750 62.300 0.016 0.000 1.055 407 V CB -0.792 31.039 31.823 0.013 0.000 0.657 407 V HN 0.632 nan 8.190 nan 0.000 0.455 408 E N -0.600 119.612 120.200 0.020 0.000 2.076 408 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 408 E C 1.636 178.248 176.600 0.019 0.000 0.979 408 E CA 1.110 57.522 56.400 0.020 0.000 0.807 408 E CB 0.094 29.809 29.700 0.025 0.000 0.761 408 E HN 0.639 nan 8.360 nan 0.000 0.454 409 E N -0.869 119.343 120.200 0.020 0.000 2.789 409 E HA 0.210 4.560 4.350 -0.000 0.000 0.217 409 E C 0.012 176.622 176.600 0.017 0.000 0.970 409 E CA 0.101 56.511 56.400 0.018 0.000 1.201 409 E CB 1.688 31.400 29.700 0.019 0.000 1.069 409 E HN 0.238 nan 8.360 nan 0.000 0.499 410 G N 1.225 110.035 108.800 0.017 0.000 2.725 410 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 410 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 410 G C -0.274 174.636 174.900 0.018 0.000 1.357 410 G CA -0.425 44.685 45.100 0.017 0.000 0.866 410 G HN 0.492 nan 8.290 nan 0.000 0.548 411 V N -2.623 117.301 119.914 0.017 0.000 3.074 411 V HA 1.002 5.122 4.120 -0.000 0.000 0.314 411 V C 0.553 176.658 176.094 0.018 0.000 1.117 411 V CA 0.187 62.497 62.300 0.017 0.000 1.014 411 V CB 1.425 33.257 31.823 0.016 0.000 1.057 411 V HN 2.532 nan 8.190 nan 0.000 0.438 412 V N -1.146 118.779 119.914 0.018 0.000 3.206 412 V HA 0.980 5.100 4.120 -0.000 0.000 0.305 412 V C 0.379 176.484 176.094 0.020 0.000 1.257 412 V CA -0.796 61.517 62.300 0.021 0.000 1.057 412 V CB 1.178 33.014 31.823 0.022 0.000 1.075 412 V HN 2.286 nan 8.190 nan 0.000 0.443 413 A N 0.760 123.594 122.820 0.024 0.000 2.563 413 A HA 0.452 4.772 4.320 -0.000 0.000 0.256 413 A C 1.376 178.968 177.584 0.014 0.000 1.056 413 A CA 0.683 52.732 52.037 0.020 0.000 0.775 413 A CB -0.432 18.586 19.000 0.030 0.000 0.973 413 A HN 2.122 nan 8.150 nan 0.000 0.516 414 G N 2.011 110.814 108.800 0.004 0.000 2.985 414 G HA2 0.281 4.241 3.960 -0.000 0.000 0.209 414 G HA3 0.281 4.241 3.960 -0.000 0.000 0.209 414 G C 0.846 175.746 174.900 0.000 0.000 1.165 414 G CA 0.664 45.765 45.100 0.002 0.000 0.776 414 G HN 1.150 nan 8.290 nan 0.000 0.541 415 G N -0.156 108.645 108.800 0.002 0.000 3.496 415 G HA2 0.407 4.367 3.960 -0.000 0.000 0.273 415 G HA3 0.407 4.367 3.960 -0.000 0.000 0.273 415 G C 1.207 176.121 174.900 0.023 0.000 1.279 415 G CA 0.241 45.346 45.100 0.008 0.000 1.041 415 G HN 1.078 nan 8.290 nan 0.000 0.539 416 G N -0.873 107.938 108.800 0.019 0.000 2.168 416 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 416 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 416 G C 1.266 176.182 174.900 0.027 0.000 0.977 416 G CA 0.650 45.764 45.100 0.022 0.000 0.659 416 G HN 0.538 nan 8.290 nan 0.000 0.533 417 V N 0.720 120.650 119.914 0.028 0.000 2.270 417 V HA -0.017 4.103 4.120 -0.000 0.000 0.245 417 V C 3.291 179.407 176.094 0.036 0.000 1.043 417 V CA 2.851 65.172 62.300 0.034 0.000 1.014 417 V CB -1.437 30.402 31.823 0.028 0.000 0.645 417 V HN 1.032 nan 8.190 nan 0.000 0.447 418 A N 0.349 123.187 122.820 0.031 0.000 1.894 418 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 418 A C 2.222 179.824 177.584 0.029 0.000 1.237 418 A CA 2.463 54.519 52.037 0.031 0.000 0.660 418 A CB -0.906 18.110 19.000 0.026 0.000 0.835 418 A HN 0.385 nan 8.150 nan 0.000 0.461 419 L N -0.310 120.929 121.223 0.026 0.000 2.013 419 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 419 L C 2.503 179.388 176.870 0.025 0.000 1.073 419 L CA 1.673 56.528 54.840 0.024 0.000 0.753 419 L CB -1.039 41.033 42.059 0.022 0.000 0.890 419 L HN 0.424 nan 8.230 nan 0.000 0.432 420 I N -0.889 119.698 120.570 0.029 0.000 2.361 420 I HA -0.309 3.861 4.170 -0.000 0.000 0.251 420 I C 2.653 178.791 176.117 0.035 0.000 1.133 420 I CA 0.932 62.250 61.300 0.031 0.000 1.413 420 I CB -0.461 37.561 38.000 0.035 0.000 1.073 420 I HN 0.337 nan 8.210 nan 0.000 0.424 421 R N 1.326 121.850 120.500 0.040 0.000 2.061 421 R HA -0.150 4.190 4.340 -0.000 0.000 0.230 421 R C 2.404 178.724 176.300 0.033 0.000 1.140 421 R CA 2.297 58.424 56.100 0.044 0.000 0.940 421 R CB -0.719 29.611 30.300 0.050 0.000 0.839 421 R HN 0.278 nan 8.270 nan 0.000 0.429 422 V N -0.804 119.126 119.914 0.028 0.000 2.324 422 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 422 V C 2.179 178.285 176.094 0.019 0.000 1.060 422 V CA 2.008 64.321 62.300 0.022 0.000 1.042 422 V CB -1.388 30.447 31.823 0.019 0.000 0.650 422 V HN 0.410 nan 8.190 nan 0.000 0.450 423 A N 1.301 124.133 122.820 0.020 0.000 2.019 423 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 423 A C 2.539 180.133 177.584 0.017 0.000 1.164 423 A CA 2.486 54.534 52.037 0.017 0.000 0.644 423 A CB -0.893 18.117 19.000 0.017 0.000 0.805 423 A HN 1.034 nan 8.150 nan 0.000 0.449 424 S N -0.666 115.047 115.700 0.021 0.000 2.446 424 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 424 S C 1.785 176.396 174.600 0.017 0.000 1.016 424 S CA 0.793 59.005 58.200 0.020 0.000 0.943 424 S CB -0.140 63.075 63.200 0.026 0.000 0.786 424 S HN 0.574 nan 8.310 nan 0.000 0.508 425 K N 1.412 121.822 120.400 0.018 0.000 1.984 425 K HA 0.034 4.353 4.320 -0.000 0.000 0.209 425 K C 0.858 177.465 176.600 0.012 0.000 1.046 425 K CA 1.238 57.534 56.287 0.015 0.000 0.934 425 K CB -0.603 31.906 32.500 0.016 0.000 0.717 425 K HN 0.466 nan 8.250 nan 0.000 0.438 426 L N -0.307 120.923 121.223 0.011 0.000 2.998 426 L HA 0.324 4.664 4.340 -0.000 0.000 0.234 426 L C 1.170 178.045 176.870 0.008 0.000 1.350 426 L CA -0.104 54.741 54.840 0.009 0.000 1.202 426 L CB 0.090 42.154 42.059 0.008 0.000 1.583 426 L HN -0.075 nan 8.230 nan 0.000 0.456 427 A N -0.955 121.870 122.820 0.008 0.000 2.168 427 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 427 A C 1.656 179.244 177.584 0.006 0.000 1.152 427 A CA 0.945 52.987 52.037 0.007 0.000 0.716 427 A CB -0.207 18.797 19.000 0.008 0.000 0.794 427 A HN 0.469 nan 8.150 nan 0.000 0.465 428 D N -1.018 119.385 120.400 0.005 0.000 2.354 428 D HA 0.104 4.744 4.640 -0.000 0.000 0.209 428 D C 0.365 176.667 176.300 0.004 0.000 1.015 428 D CA -0.133 53.870 54.000 0.004 0.000 0.867 428 D CB -0.155 40.647 40.800 0.004 0.000 0.933 428 D HN 0.301 nan 8.370 nan 0.000 0.520 429 L N 1.807 123.033 121.223 0.004 0.000 2.578 429 L HA -0.017 4.323 4.340 -0.000 0.000 0.279 429 L C 0.343 177.214 176.870 0.003 0.000 1.227 429 L CA 0.823 55.665 54.840 0.004 0.000 0.900 429 L CB 0.071 42.133 42.059 0.004 0.000 1.144 429 L HN -0.178 nan 8.230 nan 0.000 0.496 430 R N 2.851 123.353 120.500 0.003 0.000 2.930 430 R HA 0.801 5.141 4.340 -0.000 0.000 0.257 430 R C -0.094 176.208 176.300 0.002 0.000 1.107 430 R CA -0.329 55.772 56.100 0.002 0.000 0.999 430 R CB 1.389 31.690 30.300 0.002 0.000 1.209 430 R HN 0.775 nan 8.270 nan 0.000 0.486 431 G N -0.229 108.572 108.800 0.002 0.000 3.251 431 G HA2 0.357 4.316 3.960 -0.000 0.000 0.248 431 G HA3 0.357 4.316 3.960 -0.000 0.000 0.248 431 G C -0.259 174.642 174.900 0.002 0.000 1.320 431 G CA -0.151 44.950 45.100 0.002 0.000 0.982 431 G HN 0.318 nan 8.290 nan 0.000 0.575 432 Q N -0.390 119.411 119.800 0.002 0.000 2.141 432 Q HA 0.141 4.481 4.340 -0.000 0.000 0.194 432 Q C 1.204 177.205 176.000 0.001 0.000 0.975 432 Q CA 0.169 55.973 55.803 0.001 0.000 0.834 432 Q CB -0.172 28.567 28.738 0.001 0.000 0.916 432 Q HN 0.555 nan 8.270 nan 0.000 0.484 433 N N 1.230 119.931 118.700 0.002 0.000 2.458 433 N HA -0.078 4.662 4.740 -0.000 0.000 0.258 433 N C 0.596 176.107 175.510 0.002 0.000 1.219 433 N CA -0.020 53.031 53.050 0.002 0.000 0.902 433 N CB 0.604 39.092 38.487 0.002 0.000 1.076 433 N HN 0.305 nan 8.380 nan 0.000 0.455 434 E N 2.028 122.229 120.200 0.002 0.000 2.333 434 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 434 E C 0.169 176.771 176.600 0.002 0.000 1.007 434 E CA 1.160 57.561 56.400 0.002 0.000 0.845 434 E CB 0.153 29.853 29.700 0.001 0.000 0.766 434 E HN 0.559 nan 8.360 nan 0.000 0.507 435 D N 0.880 121.281 120.400 0.002 0.000 2.224 435 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 435 D C 1.733 178.035 176.300 0.003 0.000 0.965 435 D CA 0.774 54.776 54.000 0.003 0.000 0.852 435 D CB -0.064 40.737 40.800 0.003 0.000 0.947 435 D HN 0.359 nan 8.370 nan 0.000 0.494 436 Q N 0.030 119.832 119.800 0.003 0.000 2.230 436 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 436 Q C 1.609 177.611 176.000 0.003 0.000 0.963 436 Q CA 0.580 56.385 55.803 0.003 0.000 0.866 436 Q CB 0.254 28.994 28.738 0.003 0.000 0.931 436 Q HN 0.151 nan 8.270 nan 0.000 0.452 437 N N -0.296 118.406 118.700 0.003 0.000 2.062 437 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 437 N C 1.834 177.346 175.510 0.004 0.000 1.042 437 N CA 1.209 54.261 53.050 0.003 0.000 0.845 437 N CB -0.595 37.893 38.487 0.003 0.000 1.024 437 N HN 0.029 nan 8.380 nan 0.000 0.424 438 V N 1.303 121.219 119.914 0.003 0.000 2.277 438 V HA -0.276 3.844 4.120 -0.000 0.000 0.253 438 V C 2.432 178.529 176.094 0.005 0.000 1.067 438 V CA 2.214 64.516 62.300 0.004 0.000 1.047 438 V CB -1.428 30.397 31.823 0.004 0.000 0.649 438 V HN 0.423 nan 8.190 nan 0.000 0.447 439 G N -0.258 108.545 108.800 0.005 0.000 2.469 439 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 439 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 439 G C 1.497 176.401 174.900 0.006 0.000 1.150 439 G CA 1.395 46.498 45.100 0.006 0.000 0.763 439 G HN 0.553 nan 8.290 nan 0.000 0.561 440 I N -0.025 120.548 120.570 0.005 0.000 2.193 440 I HA -0.043 4.127 4.170 -0.000 0.000 0.240 440 I C 2.673 178.793 176.117 0.006 0.000 1.084 440 I CA 0.998 62.301 61.300 0.005 0.000 1.365 440 I CB -0.185 37.818 38.000 0.004 0.000 1.064 440 I HN -0.084 nan 8.210 nan 0.000 0.410 441 K N 0.890 121.293 120.400 0.005 0.000 2.113 441 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 441 K C 2.040 178.643 176.600 0.006 0.000 1.047 441 K CA 1.037 57.327 56.287 0.005 0.000 0.928 441 K CB -0.836 31.667 32.500 0.005 0.000 0.716 441 K HN 0.132 nan 8.250 nan 0.000 0.446 442 V N 0.667 120.585 119.914 0.006 0.000 2.233 442 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 442 V C 2.229 178.328 176.094 0.008 0.000 1.050 442 V CA 2.219 64.523 62.300 0.007 0.000 1.010 442 V CB -0.841 30.987 31.823 0.008 0.000 0.637 442 V HN 0.384 nan 8.190 nan 0.000 0.444 443 A N -0.832 121.993 122.820 0.008 0.000 1.933 443 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 443 A C 2.218 179.807 177.584 0.010 0.000 1.175 443 A CA 1.750 53.792 52.037 0.009 0.000 0.628 443 A CB -0.509 18.496 19.000 0.008 0.000 0.814 443 A HN 0.499 nan 8.150 nan 0.000 0.444 444 L N -1.424 119.804 121.223 0.009 0.000 1.976 444 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 444 L C 2.824 179.701 176.870 0.010 0.000 1.071 444 L CA 1.929 56.774 54.840 0.009 0.000 0.746 444 L CB -0.530 41.534 42.059 0.008 0.000 0.890 444 L HN 0.394 nan 8.230 nan 0.000 0.432 445 R N -0.194 120.311 120.500 0.009 0.000 2.117 445 R HA -0.209 4.131 4.340 -0.000 0.000 0.243 445 R C 2.184 178.490 176.300 0.009 0.000 1.143 445 R CA 1.524 57.629 56.100 0.008 0.000 0.968 445 R CB -0.271 30.033 30.300 0.007 0.000 0.863 445 R HN 0.421 nan 8.270 nan 0.000 0.444 446 A N -0.191 122.635 122.820 0.010 0.000 2.121 446 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 446 A C 1.936 179.528 177.584 0.013 0.000 1.154 446 A CA 1.073 53.117 52.037 0.012 0.000 0.679 446 A CB -0.256 18.752 19.000 0.013 0.000 0.795 446 A HN 0.305 nan 8.150 nan 0.000 0.458 447 M N -0.708 118.901 119.600 0.014 0.000 2.447 447 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 447 M C 1.152 177.462 176.300 0.016 0.000 1.095 447 M CA 0.752 56.061 55.300 0.015 0.000 1.125 447 M CB -0.100 32.509 32.600 0.016 0.000 1.389 447 M HN 0.437 nan 8.290 nan 0.000 0.459 448 E N 0.521 120.730 120.200 0.014 0.000 2.511 448 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 448 E C 1.786 178.393 176.600 0.011 0.000 1.066 448 E CA 0.341 56.749 56.400 0.013 0.000 0.871 448 E CB 0.033 29.739 29.700 0.010 0.000 0.863 448 E HN 0.453 nan 8.360 nan 0.000 0.520 449 A N 2.409 125.236 122.820 0.012 0.000 1.854 449 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 449 A C -0.276 177.314 177.584 0.011 0.000 1.192 449 A CA 0.782 52.825 52.037 0.010 0.000 0.611 449 A CB -1.259 17.748 19.000 0.011 0.000 0.832 449 A HN 0.112 nan 8.150 nan 0.000 0.442 450 P HA -0.178 nan 4.420 nan 0.000 0.214 450 P C 1.797 179.107 177.300 0.017 0.000 1.163 450 P CA 1.133 64.242 63.100 0.015 0.000 0.889 450 P CB -0.121 31.589 31.700 0.016 0.000 0.790 451 L N -0.483 120.751 121.223 0.019 0.000 1.970 451 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 451 L C 2.473 179.351 176.870 0.013 0.000 1.071 451 L CA 1.971 56.825 54.840 0.024 0.000 0.751 451 L CB -0.747 41.329 42.059 0.028 0.000 0.889 451 L HN -0.273 nan 8.230 nan 0.000 0.432 452 R N -1.081 119.422 120.500 0.004 0.000 2.139 452 R HA -0.253 4.087 4.340 -0.000 0.000 0.243 452 R C 2.339 178.637 176.300 -0.003 0.000 1.145 452 R CA 1.761 57.857 56.100 -0.006 0.000 0.976 452 R CB -0.296 30.001 30.300 -0.005 0.000 0.866 452 R HN 0.468 nan 8.270 nan 0.000 0.449 453 Q N 0.566 120.369 119.800 0.005 0.000 2.020 453 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 453 Q C 1.848 177.855 176.000 0.011 0.000 0.974 453 Q CA 1.522 57.328 55.803 0.006 0.000 0.829 453 Q CB -0.102 28.641 28.738 0.007 0.000 0.894 453 Q HN 0.248 nan 8.270 nan 0.000 0.433 454 I N -0.065 120.517 120.570 0.019 0.000 2.113 454 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 454 I C 2.190 178.332 176.117 0.042 0.000 1.064 454 I CA 1.403 62.721 61.300 0.030 0.000 1.320 454 I CB -1.209 36.816 38.000 0.043 0.000 1.028 454 I HN 0.094 nan 8.210 nan 0.000 0.406 455 V N 0.860 120.797 119.914 0.038 0.000 2.324 455 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 455 V C 2.569 178.667 176.094 0.008 0.000 1.060 455 V CA 1.917 64.229 62.300 0.020 0.000 1.042 455 V CB -0.623 31.157 31.823 -0.072 0.000 0.650 455 V HN 0.328 nan 8.190 nan 0.000 0.450 456 L N 0.511 121.734 121.223 -0.000 0.000 2.056 456 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 456 L C 2.169 179.042 176.870 0.006 0.000 1.078 456 L CA 1.818 56.658 54.840 -0.001 0.000 0.749 456 L CB -0.732 41.325 42.059 -0.003 0.000 0.901 456 L HN 0.327 nan 8.230 nan 0.000 0.433 457 N N -1.262 117.444 118.700 0.010 0.000 2.513 457 N HA -0.172 4.568 4.740 -0.000 0.000 0.187 457 N C 1.418 176.936 175.510 0.014 0.000 1.056 457 N CA 1.403 54.459 53.050 0.010 0.000 0.907 457 N CB -0.547 37.946 38.487 0.010 0.000 0.954 457 N HN 0.443 nan 8.380 nan 0.000 0.445 458 C N -1.743 117.570 119.300 0.022 0.000 3.070 458 C HA 0.417 4.877 4.460 -0.000 0.000 0.280 458 C C 1.592 176.596 174.990 0.023 0.000 1.264 458 C CA 0.025 59.060 59.018 0.028 0.000 1.690 458 C CB -0.517 27.257 27.740 0.057 0.000 2.049 458 C HN 0.540 nan 8.230 nan 0.000 0.636 459 G N 1.526 110.334 108.800 0.014 0.000 2.137 459 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.237 459 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.237 459 G C -0.368 174.537 174.900 0.007 0.000 1.002 459 G CA 0.037 45.142 45.100 0.009 0.000 0.702 459 G HN 0.483 nan 8.290 nan 0.000 0.515 460 E N 0.751 120.953 120.200 0.003 0.000 2.222 460 E HA 0.360 4.710 4.350 -0.000 0.000 0.272 460 E C 0.440 177.017 176.600 -0.037 0.000 0.982 460 E CA -0.730 55.660 56.400 -0.016 0.000 0.842 460 E CB 0.756 30.440 29.700 -0.026 0.000 1.144 460 E HN 0.416 nan 8.360 nan 0.000 0.397 461 E N 2.707 122.882 120.200 -0.042 0.000 2.493 461 E HA -0.028 4.322 4.350 -0.000 0.000 0.255 461 E C -1.677 174.882 176.600 -0.069 0.000 0.999 461 E CA -0.974 55.400 56.400 -0.042 0.000 0.934 461 E CB 0.448 30.128 29.700 -0.034 0.000 0.940 461 E HN 0.221 nan 8.360 nan 0.000 0.473 462 P HA -0.121 nan 4.420 nan 0.000 0.215 462 P C 1.509 178.777 177.300 -0.053 0.000 1.157 462 P CA 0.970 64.034 63.100 -0.061 0.000 0.869 462 P CB 0.066 31.745 31.700 -0.035 0.000 0.781 463 S N 0.021 115.700 115.700 -0.034 0.000 2.406 463 S HA -0.237 4.233 4.470 -0.000 0.000 0.242 463 S C 2.063 176.645 174.600 -0.030 0.000 1.079 463 S CA 2.188 60.373 58.200 -0.025 0.000 1.133 463 S CB -2.049 61.141 63.200 -0.018 0.000 1.005 463 S HN -0.045 nan 8.310 nan 0.000 0.443 464 V N 1.361 121.253 119.914 -0.037 0.000 2.270 464 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 464 V C 2.681 178.751 176.094 -0.041 0.000 1.043 464 V CA 1.675 63.955 62.300 -0.033 0.000 1.014 464 V CB -0.697 31.111 31.823 -0.025 0.000 0.645 464 V HN 0.477 nan 8.190 nan 0.000 0.447 465 V N 0.150 120.006 119.914 -0.098 0.000 2.332 465 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 465 V C 2.659 178.730 176.094 -0.039 0.000 1.055 465 V CA 2.080 64.297 62.300 -0.139 0.000 1.038 465 V CB -1.033 30.502 31.823 -0.481 0.000 0.651 465 V HN 0.572 nan 8.190 nan 0.000 0.450 466 A N 0.693 123.487 122.820 -0.045 0.000 1.851 466 A HA -0.336 3.984 4.320 -0.000 0.000 0.216 466 A C 2.057 179.648 177.584 0.011 0.000 1.195 466 A CA 2.474 54.507 52.037 -0.007 0.000 0.622 466 A CB -1.066 17.928 19.000 -0.010 0.000 0.831 466 A HN 0.691 nan 8.150 nan 0.000 0.444 467 N N -0.434 118.266 118.700 -0.000 0.000 2.091 467 N HA -0.227 4.512 4.740 -0.000 0.000 0.193 467 N C 1.748 177.261 175.510 0.006 0.000 1.021 467 N CA 3.300 56.351 53.050 0.002 0.000 0.862 467 N CB -0.511 37.971 38.487 -0.008 0.000 1.018 467 N HN 0.525 nan 8.380 nan 0.000 0.429 468 T N -2.207 112.344 114.554 -0.006 0.000 2.942 468 T HA 0.017 4.367 4.350 -0.000 0.000 0.265 468 T C 1.890 176.621 174.700 0.051 0.000 1.062 468 T CA 1.165 63.245 62.100 -0.034 0.000 1.139 468 T CB -0.624 68.125 68.868 -0.198 0.000 0.883 468 T HN 0.034 nan 8.240 nan 0.000 0.468 469 V N 1.922 121.892 119.914 0.093 0.000 2.343 469 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 469 V C 2.869 179.046 176.094 0.138 0.000 1.051 469 V CA 1.888 64.263 62.300 0.125 0.000 1.036 469 V CB -0.588 31.294 31.823 0.099 0.000 0.654 469 V HN 0.516 nan 8.190 nan 0.000 0.451 470 K N 0.356 120.807 120.400 0.084 0.000 2.103 470 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 470 K C 2.141 178.783 176.600 0.069 0.000 1.048 470 K CA 1.525 57.852 56.287 0.067 0.000 0.930 470 K CB -0.632 31.891 32.500 0.039 0.000 0.716 470 K HN 0.583 nan 8.250 nan 0.000 0.444 471 G N 0.864 109.703 108.800 0.067 0.000 2.559 471 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 471 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 471 G C 0.766 175.690 174.900 0.040 0.000 1.126 471 G CA 0.681 45.805 45.100 0.040 0.000 0.778 471 G HN 0.360 nan 8.290 nan 0.000 0.543 472 G N -1.095 107.778 108.800 0.121 0.000 2.641 472 G HA2 0.530 4.490 3.960 -0.000 0.000 0.239 472 G HA3 0.530 4.490 3.960 -0.000 0.000 0.239 472 G C -1.068 173.878 174.900 0.076 0.000 1.402 472 G CA -0.445 44.694 45.100 0.066 0.000 1.046 472 G HN 0.122 nan 8.290 nan 0.000 0.565 473 D N -2.092 118.353 120.400 0.075 0.000 2.583 473 D HA 0.482 5.122 4.640 -0.000 0.000 0.248 473 D C 0.801 177.158 176.300 0.095 0.000 1.209 473 D CA 0.573 54.610 54.000 0.061 0.000 0.848 473 D CB 2.048 42.854 40.800 0.009 0.000 1.431 473 D HN 0.855 nan 8.370 nan 0.000 0.436 474 G N 1.622 110.465 108.800 0.071 0.000 2.651 474 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.315 474 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.315 474 G C 0.445 175.404 174.900 0.099 0.000 1.258 474 G CA 0.199 45.342 45.100 0.071 0.000 1.002 474 G HN 0.573 nan 8.290 nan 0.000 0.551 475 N N 0.433 119.195 118.700 0.103 0.000 2.327 475 N HA 0.169 4.909 4.740 -0.000 0.000 0.231 475 N C -0.125 175.479 175.510 0.156 0.000 1.130 475 N CA 0.026 53.138 53.050 0.103 0.000 0.845 475 N CB 0.147 38.676 38.487 0.070 0.000 1.073 475 N HN 0.450 nan 8.380 nan 0.000 0.496 476 Y N 1.104 121.435 120.300 0.051 0.000 2.442 476 Y HA 0.432 4.982 4.550 -0.000 0.000 0.330 476 Y C 0.784 176.747 175.900 0.105 0.000 1.129 476 Y CA -0.050 58.095 58.100 0.074 0.000 1.365 476 Y CB 0.375 38.874 38.460 0.065 0.000 1.233 476 Y HN 0.119 nan 8.280 nan 0.000 0.529 477 G N 3.961 112.554 108.800 -0.344 0.000 2.682 477 G HA2 0.272 4.232 3.960 -0.000 0.000 0.303 477 G HA3 0.272 4.232 3.960 -0.000 0.000 0.303 477 G C -2.463 172.327 174.900 -0.182 0.000 1.341 477 G CA -0.929 44.038 45.100 -0.221 0.000 0.784 477 G HN 0.549 nan 8.290 nan 0.000 0.497 478 Y N 1.388 121.563 120.300 -0.207 0.000 2.331 478 Y HA 0.610 5.160 4.550 -0.000 0.000 0.338 478 Y C -0.180 175.564 175.900 -0.260 0.000 0.992 478 Y CA -1.318 56.562 58.100 -0.367 0.000 1.121 478 Y CB 1.558 39.799 38.460 -0.364 0.000 1.184 478 Y HN 0.465 nan 8.280 nan 0.000 0.469 479 N N 4.736 122.999 118.700 -0.728 0.000 2.420 479 N HA 0.247 4.987 4.740 -0.000 0.000 0.249 479 N C 0.316 175.306 175.510 -0.866 0.000 1.033 479 N CA 0.399 53.107 53.050 -0.570 0.000 0.944 479 N CB 1.438 39.710 38.487 -0.359 0.000 1.113 479 N HN 0.852 nan 8.380 nan 0.000 0.502 480 A N 3.874 126.370 122.820 -0.541 0.000 2.015 480 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 480 A C 2.004 179.444 177.584 -0.241 0.000 1.163 480 A CA 1.561 53.391 52.037 -0.345 0.000 0.646 480 A CB -0.716 18.276 19.000 -0.013 0.000 0.806 480 A HN 0.748 nan 8.150 nan 0.000 0.448 481 A N -0.498 122.197 122.820 -0.207 0.000 1.969 481 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 481 A C 2.229 179.726 177.584 -0.145 0.000 1.169 481 A CA 2.306 54.261 52.037 -0.136 0.000 0.635 481 A CB -0.739 18.197 19.000 -0.106 0.000 0.810 481 A HN 0.829 nan 8.150 nan 0.000 0.445 482 T N -4.254 110.172 114.554 -0.213 0.000 3.040 482 T HA 0.246 4.596 4.350 -0.000 0.000 0.266 482 T C 0.254 174.825 174.700 -0.215 0.000 1.005 482 T CA 0.702 62.697 62.100 -0.174 0.000 0.906 482 T CB -0.192 68.588 68.868 -0.146 0.000 1.082 482 T HN 0.583 nan 8.240 nan 0.000 0.531 483 E N 0.410 120.387 120.200 -0.372 0.000 2.971 483 E HA -0.183 4.167 4.350 -0.000 0.000 0.278 483 E C -0.684 175.709 176.600 -0.345 0.000 1.009 483 E CA 0.766 56.945 56.400 -0.368 0.000 0.862 483 E CB -2.221 27.451 29.700 -0.047 0.000 1.436 483 E HN 0.755 nan 8.360 nan 0.000 0.434 484 E N -0.424 119.511 120.200 -0.442 0.000 2.221 484 E HA 0.534 4.883 4.350 -0.000 0.000 0.268 484 E C -0.609 175.759 176.600 -0.385 0.000 0.933 484 E CA -0.747 55.494 56.400 -0.265 0.000 0.809 484 E CB 0.960 30.602 29.700 -0.097 0.000 1.190 484 E HN 0.064 nan 8.360 nan 0.000 0.406 485 Y N 0.317 120.612 120.300 -0.009 0.000 2.316 485 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 485 Y C 1.029 176.923 175.900 -0.010 0.000 1.267 485 Y CA 0.172 58.230 58.100 -0.070 0.000 1.311 485 Y CB 1.658 40.110 38.460 -0.014 0.000 1.267 485 Y HN 0.656 nan 8.280 nan 0.000 0.516 486 G N 0.560 109.414 108.800 0.089 0.000 2.323 486 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.291 486 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.291 486 G C -1.903 173.109 174.900 0.186 0.000 1.278 486 G CA -1.189 44.039 45.100 0.213 0.000 0.860 486 G HN 0.567 nan 8.290 nan 0.000 0.504 487 N N 1.189 119.992 118.700 0.173 0.000 2.415 487 N HA 0.112 4.852 4.740 -0.000 0.000 0.246 487 N C 1.750 177.295 175.510 0.059 0.000 1.078 487 N CA -0.561 52.572 53.050 0.138 0.000 0.942 487 N CB 0.671 39.227 38.487 0.115 0.000 1.140 487 N HN 0.406 nan 8.380 nan 0.000 0.501 488 M N 3.505 123.127 119.600 0.035 0.000 2.144 488 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 488 M C 1.709 178.013 176.300 0.005 0.000 1.067 488 M CA 1.365 56.664 55.300 -0.001 0.000 1.095 488 M CB -0.603 31.992 32.600 -0.007 0.000 1.365 488 M HN 0.585 nan 8.290 nan 0.000 0.406 489 I N 0.262 120.845 120.570 0.021 0.000 2.353 489 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 489 I C 1.971 178.097 176.117 0.014 0.000 1.119 489 I CA 1.081 62.391 61.300 0.017 0.000 1.417 489 I CB -0.366 37.647 38.000 0.023 0.000 1.078 489 I HN 0.213 nan 8.210 nan 0.000 0.421 490 D N 0.609 121.021 120.400 0.021 0.000 2.144 490 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 490 D C 2.085 178.389 176.300 0.007 0.000 0.978 490 D CA 1.370 55.380 54.000 0.018 0.000 0.833 490 D CB -0.164 40.653 40.800 0.028 0.000 0.961 490 D HN 0.349 nan 8.370 nan 0.000 0.470 491 M N -0.439 119.161 119.600 0.000 0.000 2.659 491 M HA 0.141 4.621 4.480 -0.000 0.000 0.243 491 M C 1.036 177.322 176.300 -0.023 0.000 1.111 491 M CA 0.528 55.817 55.300 -0.018 0.000 1.070 491 M CB 0.239 32.816 32.600 -0.037 0.000 1.525 491 M HN -0.001 nan 8.290 nan 0.000 0.517 492 G N 1.831 110.623 108.800 -0.013 0.000 2.221 492 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.265 492 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.265 492 G C -0.159 174.729 174.900 -0.019 0.000 1.041 492 G CA -0.285 44.807 45.100 -0.013 0.000 0.807 492 G HN 0.420 nan 8.290 nan 0.000 0.502 493 I N 1.036 121.593 120.570 -0.023 0.000 2.442 493 I HA 0.462 4.632 4.170 -0.000 0.000 0.279 493 I C 0.147 176.256 176.117 -0.013 0.000 1.081 493 I CA -1.138 60.146 61.300 -0.027 0.000 1.197 493 I CB 0.149 38.121 38.000 -0.047 0.000 1.394 493 I HN 0.253 nan 8.210 nan 0.000 0.488 494 L N 2.394 123.614 121.223 -0.006 0.000 2.408 494 L HA 0.731 5.071 4.340 -0.000 0.000 0.268 494 L C -0.563 176.309 176.870 0.004 0.000 0.986 494 L CA -0.612 54.229 54.840 0.002 0.000 0.820 494 L CB 1.622 43.685 42.059 0.007 0.000 1.303 494 L HN 0.020 nan 8.230 nan 0.000 0.411 495 D N 2.322 122.727 120.400 0.008 0.000 2.225 495 D HA 0.432 5.072 4.640 -0.000 0.000 0.249 495 D C -2.403 173.906 176.300 0.014 0.000 1.052 495 D CA -1.327 52.679 54.000 0.010 0.000 0.909 495 D CB 1.323 42.130 40.800 0.011 0.000 1.186 495 D HN 0.404 nan 8.370 nan 0.000 0.431 496 P HA 0.030 nan 4.420 nan 0.000 0.269 496 P C 0.730 178.043 177.300 0.021 0.000 1.217 496 P CA 0.051 63.164 63.100 0.021 0.000 0.783 496 P CB 0.592 32.308 31.700 0.025 0.000 0.898 497 T N 0.420 114.987 114.554 0.021 0.000 2.812 497 T HA -0.117 4.233 4.350 -0.000 0.000 0.264 497 T C 1.638 176.351 174.700 0.022 0.000 1.042 497 T CA 1.070 63.182 62.100 0.020 0.000 1.140 497 T CB -0.347 68.532 68.868 0.018 0.000 0.870 497 T HN 0.418 nan 8.240 nan 0.000 0.445 498 K N 1.091 121.506 120.400 0.025 0.000 2.015 498 K HA -0.201 4.119 4.320 -0.000 0.000 0.220 498 K C 2.373 178.995 176.600 0.036 0.000 1.055 498 K CA 2.101 58.407 56.287 0.031 0.000 0.951 498 K CB -0.801 31.721 32.500 0.037 0.000 0.725 498 K HN 0.246 nan 8.250 nan 0.000 0.449 499 V N -0.031 119.904 119.914 0.034 0.000 2.332 499 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 499 V C 1.750 177.865 176.094 0.036 0.000 1.055 499 V CA 2.640 64.960 62.300 0.034 0.000 1.038 499 V CB -0.859 30.975 31.823 0.018 0.000 0.651 499 V HN 0.490 nan 8.190 nan 0.000 0.450 500 T N 0.522 115.093 114.554 0.028 0.000 2.746 500 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 500 T C 1.938 176.656 174.700 0.029 0.000 1.039 500 T CA 2.063 64.179 62.100 0.027 0.000 1.142 500 T CB -0.362 68.519 68.868 0.022 0.000 0.866 500 T HN 0.687 nan 8.240 nan 0.000 0.444 501 R N 1.032 121.547 120.500 0.024 0.000 2.061 501 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 501 R C 2.570 178.880 176.300 0.016 0.000 1.140 501 R CA 1.847 57.955 56.100 0.013 0.000 0.940 501 R CB -0.576 29.727 30.300 0.004 0.000 0.839 501 R HN 0.207 nan 8.270 nan 0.000 0.429 502 S N 0.956 116.681 115.700 0.040 0.000 2.368 502 S HA -0.268 4.202 4.470 -0.000 0.000 0.226 502 S C 2.111 176.820 174.600 0.182 0.000 1.044 502 S CA 1.600 59.861 58.200 0.103 0.000 1.062 502 S CB -0.601 62.702 63.200 0.171 0.000 0.931 502 S HN 0.621 nan 8.310 nan 0.000 0.440 503 A N 1.315 124.214 122.820 0.132 0.000 1.903 503 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 503 A C 2.157 179.800 177.584 0.098 0.000 1.191 503 A CA 1.692 53.797 52.037 0.115 0.000 0.638 503 A CB -0.888 18.150 19.000 0.063 0.000 0.823 503 A HN 0.480 nan 8.150 nan 0.000 0.451 504 L N -1.181 120.075 121.223 0.056 0.000 2.093 504 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 504 L C 2.818 179.698 176.870 0.017 0.000 1.085 504 L CA 1.827 56.687 54.840 0.033 0.000 0.755 504 L CB -0.435 41.633 42.059 0.015 0.000 0.904 504 L HN 0.563 nan 8.230 nan 0.000 0.435 505 Q N -1.474 118.313 119.800 -0.021 0.000 2.049 505 Q HA -0.207 4.133 4.340 -0.000 0.000 0.198 505 Q C 2.058 178.005 176.000 -0.088 0.000 0.971 505 Q CA 1.592 57.334 55.803 -0.101 0.000 0.833 505 Q CB -0.126 28.489 28.738 -0.204 0.000 0.896 505 Q HN 0.422 nan 8.270 nan 0.000 0.434 506 Y N 0.415 120.719 120.300 0.005 0.000 2.145 506 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 506 Y C 2.412 178.315 175.900 0.006 0.000 1.145 506 Y CA 1.115 59.218 58.100 0.005 0.000 1.148 506 Y CB -0.786 37.676 38.460 0.004 0.000 0.981 506 Y HN 0.144 nan 8.280 nan 0.000 0.507 507 A N 0.091 123.016 122.820 0.174 0.000 1.917 507 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 507 A C 2.466 180.091 177.584 0.069 0.000 1.182 507 A CA 2.380 54.475 52.037 0.096 0.000 0.633 507 A CB -1.341 17.698 19.000 0.066 0.000 0.819 507 A HN 0.436 nan 8.150 nan 0.000 0.448 508 A N -0.649 122.200 122.820 0.049 0.000 1.898 508 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 508 A C 2.478 180.078 177.584 0.027 0.000 1.181 508 A CA 2.183 54.236 52.037 0.026 0.000 0.620 508 A CB -1.021 17.982 19.000 0.005 0.000 0.819 508 A HN 0.817 nan 8.150 nan 0.000 0.442 509 S N -0.450 115.269 115.700 0.031 0.000 2.378 509 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 509 S C 1.944 176.576 174.600 0.053 0.000 1.037 509 S CA 2.059 60.281 58.200 0.036 0.000 1.069 509 S CB -1.012 62.216 63.200 0.048 0.000 1.006 509 S HN 0.636 nan 8.310 nan 0.000 0.423 510 V N 2.274 122.235 119.914 0.078 0.000 2.324 510 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 510 V C 2.860 178.980 176.094 0.045 0.000 1.060 510 V CA 2.390 64.727 62.300 0.063 0.000 1.042 510 V CB -1.462 30.401 31.823 0.065 0.000 0.650 510 V HN 0.699 nan 8.190 nan 0.000 0.450 511 A N -0.265 122.580 122.820 0.041 0.000 1.883 511 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 511 A C 2.360 179.960 177.584 0.027 0.000 1.186 511 A CA 2.157 54.212 52.037 0.031 0.000 0.624 511 A CB -1.437 17.580 19.000 0.028 0.000 0.822 511 A HN 0.647 nan 8.150 nan 0.000 0.444 512 G N -0.349 108.467 108.800 0.026 0.000 2.453 512 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 512 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 512 G C 1.377 176.292 174.900 0.024 0.000 1.201 512 G CA 1.084 46.197 45.100 0.021 0.000 0.784 512 G HN 0.321 nan 8.290 nan 0.000 0.545 513 L N 0.511 121.751 121.223 0.029 0.000 2.082 513 L HA -0.216 4.124 4.340 -0.000 0.000 0.223 513 L C 3.061 179.949 176.870 0.031 0.000 1.086 513 L CA 1.863 56.722 54.840 0.031 0.000 0.793 513 L CB -0.597 41.484 42.059 0.037 0.000 0.896 513 L HN 0.289 nan 8.230 nan 0.000 0.441 514 M N -2.017 117.601 119.600 0.031 0.000 2.132 514 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 514 M C 2.218 178.534 176.300 0.027 0.000 1.065 514 M CA 1.543 56.861 55.300 0.030 0.000 1.122 514 M CB -0.382 32.236 32.600 0.029 0.000 1.365 514 M HN 0.174 nan 8.290 nan 0.000 0.411 515 I N 0.241 120.825 120.570 0.024 0.000 2.567 515 I HA -0.205 3.964 4.170 -0.000 0.000 0.257 515 I C 2.058 178.188 176.117 0.022 0.000 1.184 515 I CA 1.340 62.652 61.300 0.021 0.000 1.451 515 I CB -0.461 37.550 38.000 0.017 0.000 1.089 515 I HN 0.380 nan 8.210 nan 0.000 0.441 516 T N -3.861 110.708 114.554 0.025 0.000 3.145 516 T HA 0.152 4.502 4.350 -0.000 0.000 0.255 516 T C 0.714 175.434 174.700 0.034 0.000 1.039 516 T CA -0.240 61.876 62.100 0.027 0.000 0.928 516 T CB -0.487 68.395 68.868 0.024 0.000 1.029 516 T HN -0.024 nan 8.240 nan 0.000 0.554 517 T N 2.778 117.354 114.554 0.036 0.000 2.832 517 T HA 0.234 4.584 4.350 -0.000 0.000 0.296 517 T C 0.661 175.394 174.700 0.055 0.000 0.968 517 T CA -0.320 61.807 62.100 0.045 0.000 1.107 517 T CB 1.115 70.009 68.868 0.043 0.000 0.916 517 T HN 0.137 nan 8.240 nan 0.000 0.517 518 E N 0.630 120.876 120.200 0.076 0.000 2.539 518 E HA 0.192 4.542 4.350 -0.000 0.000 0.215 518 E C -0.015 176.693 176.600 0.179 0.000 0.965 518 E CA 0.065 56.532 56.400 0.111 0.000 1.019 518 E CB 0.699 30.462 29.700 0.105 0.000 1.059 518 E HN 0.570 nan 8.360 nan 0.000 0.496 519 C N 0.598 119.970 119.300 0.119 0.000 3.113 519 C HA 0.615 5.075 4.460 -0.000 0.000 0.376 519 C C -1.567 173.424 174.990 0.002 0.000 1.077 519 C CA -0.611 58.443 59.018 0.060 0.000 1.253 519 C CB 0.216 28.050 27.740 0.157 0.000 1.637 519 C HN 0.107 nan 8.230 nan 0.000 0.535 520 M N 5.148 124.719 119.600 -0.050 0.000 2.395 520 M HA 0.656 5.136 4.480 -0.000 0.000 0.307 520 M C -1.128 175.224 176.300 0.086 0.000 1.091 520 M CA -0.639 54.707 55.300 0.077 0.000 0.919 520 M CB 2.220 34.962 32.600 0.237 0.000 1.662 520 M HN 0.403 nan 8.290 nan 0.000 0.440 521 V N 1.401 121.333 119.914 0.031 0.000 2.525 521 V HA 0.761 4.881 4.120 -0.000 0.000 0.299 521 V C -0.477 175.549 176.094 -0.113 0.000 1.034 521 V CA -0.328 61.953 62.300 -0.031 0.000 0.863 521 V CB 2.094 33.897 31.823 -0.033 0.000 0.999 521 V HN 0.969 nan 8.190 nan 0.000 0.423 522 T N 2.392 116.831 114.554 -0.193 0.000 2.792 522 T HA 0.423 4.773 4.350 -0.000 0.000 0.303 522 T C -1.225 173.350 174.700 -0.209 0.000 1.310 522 T CA -0.536 61.400 62.100 -0.273 0.000 1.007 522 T CB 1.867 70.399 68.868 -0.559 0.000 1.335 522 T HN 0.635 nan 8.240 nan 0.000 0.504 523 D N 1.317 121.614 120.400 -0.171 0.000 2.368 523 D HA 0.330 4.970 4.640 -0.000 0.000 0.240 523 D C 0.187 176.421 176.300 -0.109 0.000 1.169 523 D CA 0.020 53.953 54.000 -0.112 0.000 0.906 523 D CB 0.404 41.153 40.800 -0.084 0.000 1.187 523 D HN 0.383 nan 8.370 nan 0.000 0.435 524 L N 2.991 124.178 121.223 -0.060 0.000 2.455 524 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 524 L C -1.314 175.535 176.870 -0.035 0.000 1.174 524 L CA -1.542 53.278 54.840 -0.034 0.000 0.869 524 L CB -0.043 42.008 42.059 -0.014 0.000 1.130 524 L HN 0.392 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.091 63.100 -0.016 0.000 0.800 525 P CB 0.000 31.705 31.700 0.008 0.000 0.726