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 1xck_1_D 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.955 124.776 122.820 0.001 0.000 2.567 3 A HA 0.494 4.814 4.320 -0.000 0.000 0.240 3 A C 0.351 177.937 177.584 0.004 0.000 1.053 3 A CA 0.513 52.555 52.037 0.008 0.000 0.755 3 A CB -0.141 18.865 19.000 0.011 0.000 0.978 3 A HN 0.619 nan 8.150 nan 0.000 0.507 4 K N 1.223 121.630 120.400 0.012 0.000 2.211 4 K HA 0.462 4.782 4.320 -0.000 0.000 0.237 4 K C -1.055 175.567 176.600 0.036 0.000 1.002 4 K CA -0.692 55.600 56.287 0.007 0.000 0.885 4 K CB 1.257 33.760 32.500 0.005 0.000 1.136 4 K HN 0.713 nan 8.250 nan 0.000 0.448 5 D N 0.954 121.383 120.400 0.049 0.000 2.425 5 D HA 0.299 4.939 4.640 -0.000 0.000 0.240 5 D C -1.308 175.132 176.300 0.233 0.000 1.080 5 D CA -0.548 53.540 54.000 0.147 0.000 0.836 5 D CB 1.092 42.002 40.800 0.183 0.000 1.125 5 D HN 0.048 nan 8.370 nan 0.000 0.525 6 V N 4.456 124.460 119.914 0.149 0.000 2.459 6 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 6 V C 0.297 176.309 176.094 -0.138 0.000 1.029 6 V CA -0.712 61.590 62.300 0.004 0.000 0.874 6 V CB 1.659 33.430 31.823 -0.087 0.000 0.985 6 V HN 0.355 nan 8.190 nan 0.000 0.438 7 K N 3.708 123.906 120.400 -0.336 0.000 2.316 7 K HA 0.729 5.049 4.320 -0.000 0.000 0.251 7 K C -1.489 174.791 176.600 -0.534 0.000 0.934 7 K CA -0.457 55.577 56.287 -0.421 0.000 0.802 7 K CB 2.347 34.408 32.500 -0.731 0.000 1.171 7 K HN 0.452 nan 8.250 nan 0.000 0.426 8 F N -0.206 119.686 119.950 -0.096 0.000 2.598 8 F HA 0.402 4.929 4.527 -0.000 0.000 0.327 8 F C 1.405 177.169 175.800 -0.059 0.000 1.057 8 F CA -0.087 57.881 58.000 -0.054 0.000 0.957 8 F CB 1.290 40.269 39.000 -0.034 0.000 1.278 8 F HN 0.811 nan 8.300 nan 0.000 0.484 9 G N 1.406 110.313 108.800 0.178 0.000 2.648 9 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G C 1.312 176.229 174.900 0.029 0.000 1.342 9 G CA 0.990 46.140 45.100 0.083 0.000 0.978 9 G HN 0.833 nan 8.290 nan 0.000 0.532 10 N N 0.518 119.229 118.700 0.019 0.000 2.091 10 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 10 N C 1.893 177.388 175.510 -0.024 0.000 1.021 10 N CA 2.449 55.498 53.050 -0.002 0.000 0.862 10 N CB -0.379 38.107 38.487 -0.001 0.000 1.018 10 N HN 0.594 nan 8.380 nan 0.000 0.429 11 D N 0.124 120.505 120.400 -0.032 0.000 2.149 11 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 11 D C 1.804 178.020 176.300 -0.140 0.000 0.990 11 D CA 1.514 55.468 54.000 -0.077 0.000 0.839 11 D CB -0.264 40.491 40.800 -0.076 0.000 0.948 11 D HN 0.401 nan 8.370 nan 0.000 0.460 12 A N 0.252 122.987 122.820 -0.141 0.000 1.872 12 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 12 A C 2.324 179.861 177.584 -0.078 0.000 1.187 12 A CA 1.224 53.153 52.037 -0.179 0.000 0.614 12 A CB -0.444 18.470 19.000 -0.144 0.000 0.826 12 A HN 0.186 nan 8.150 nan 0.000 0.442 13 R N -0.173 120.303 120.500 -0.040 0.000 2.096 13 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 13 R C 2.139 178.432 176.300 -0.011 0.000 1.127 13 R CA 1.654 57.746 56.100 -0.013 0.000 0.968 13 R CB -0.725 29.572 30.300 -0.004 0.000 0.861 13 R HN 0.596 nan 8.270 nan 0.000 0.440 14 V N -0.498 119.403 119.914 -0.022 0.000 2.343 14 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 14 V C 1.987 178.078 176.094 -0.006 0.000 1.051 14 V CA 1.400 63.692 62.300 -0.013 0.000 1.036 14 V CB -0.435 31.377 31.823 -0.018 0.000 0.654 14 V HN 0.069 nan 8.190 nan 0.000 0.451 15 K N 0.142 120.533 120.400 -0.016 0.000 2.032 15 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 15 K C 2.259 178.889 176.600 0.051 0.000 1.048 15 K CA 2.299 58.599 56.287 0.022 0.000 0.927 15 K CB -0.609 31.902 32.500 0.019 0.000 0.712 15 K HN 0.541 nan 8.250 nan 0.000 0.441 16 M N 0.221 119.848 119.600 0.045 0.000 2.065 16 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 16 M C 2.301 178.619 176.300 0.030 0.000 1.069 16 M CA 1.259 56.587 55.300 0.046 0.000 1.110 16 M CB -0.469 32.154 32.600 0.038 0.000 1.328 16 M HN 0.048 nan 8.290 nan 0.000 0.405 17 L N 0.719 121.953 121.223 0.020 0.000 1.990 17 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 17 L C 2.497 179.376 176.870 0.015 0.000 1.072 17 L CA 2.079 56.928 54.840 0.014 0.000 0.755 17 L CB -0.793 41.272 42.059 0.009 0.000 0.889 17 L HN 0.196 nan 8.230 nan 0.000 0.432 18 R N -0.356 120.154 120.500 0.016 0.000 2.119 18 R HA -0.149 4.191 4.340 -0.000 0.000 0.246 18 R C 2.145 178.456 176.300 0.018 0.000 1.146 18 R CA 1.892 58.001 56.100 0.016 0.000 0.962 18 R CB -1.206 29.105 30.300 0.019 0.000 0.863 18 R HN 0.528 nan 8.270 nan 0.000 0.442 19 G N -0.378 108.436 108.800 0.025 0.000 2.402 19 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 19 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 19 G C 1.410 176.318 174.900 0.013 0.000 1.162 19 G CA 0.802 45.915 45.100 0.022 0.000 0.777 19 G HN 0.371 nan 8.290 nan 0.000 0.539 20 V N 0.057 119.979 119.914 0.014 0.000 2.809 20 V HA -0.047 4.073 4.120 -0.000 0.000 0.256 20 V C 2.086 178.184 176.094 0.007 0.000 1.080 20 V CA 2.002 64.307 62.300 0.009 0.000 1.102 20 V CB -0.470 31.359 31.823 0.011 0.000 0.705 20 V HN 0.202 nan 8.190 nan 0.000 0.475 21 N N 0.883 119.588 118.700 0.008 0.000 2.188 21 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 21 N C 1.810 177.322 175.510 0.003 0.000 1.018 21 N CA 1.783 54.836 53.050 0.005 0.000 0.858 21 N CB -0.313 38.178 38.487 0.006 0.000 0.989 21 N HN 0.516 nan 8.380 nan 0.000 0.426 22 V N 1.620 121.536 119.914 0.004 0.000 2.295 22 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 22 V C 2.418 178.511 176.094 -0.002 0.000 1.049 22 V CA 1.065 63.365 62.300 0.001 0.000 1.024 22 V CB -0.578 31.246 31.823 0.001 0.000 0.648 22 V HN 0.185 nan 8.190 nan 0.000 0.447 23 L N 1.036 122.258 121.223 -0.002 0.000 1.994 23 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 23 L C 2.455 179.322 176.870 -0.005 0.000 1.071 23 L CA 2.539 57.376 54.840 -0.005 0.000 0.745 23 L CB -1.048 41.008 42.059 -0.005 0.000 0.892 23 L HN 0.206 nan 8.230 nan 0.000 0.431 24 A N -0.759 122.060 122.820 -0.002 0.000 1.877 24 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 24 A C 1.991 179.574 177.584 -0.002 0.000 1.186 24 A CA 1.876 53.913 52.037 -0.001 0.000 0.620 24 A CB -0.955 18.046 19.000 0.002 0.000 0.822 24 A HN 0.571 nan 8.150 nan 0.000 0.443 25 D N 0.104 120.503 120.400 -0.001 0.000 2.178 25 D HA -0.042 4.598 4.640 -0.000 0.000 0.201 25 D C 2.141 178.439 176.300 -0.003 0.000 0.980 25 D CA 1.451 55.450 54.000 -0.001 0.000 0.842 25 D CB -0.384 40.415 40.800 -0.001 0.000 0.948 25 D HN 0.446 nan 8.370 nan 0.000 0.472 26 A N 0.341 123.158 122.820 -0.005 0.000 1.929 26 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 26 A C 2.461 180.041 177.584 -0.007 0.000 1.176 26 A CA 0.900 52.933 52.037 -0.006 0.000 0.628 26 A CB -0.457 18.538 19.000 -0.008 0.000 0.816 26 A HN 0.149 nan 8.150 nan 0.000 0.444 27 V N 1.037 120.946 119.914 -0.008 0.000 2.446 27 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 27 V C 2.455 178.545 176.094 -0.007 0.000 1.039 27 V CA 2.040 64.335 62.300 -0.009 0.000 1.045 27 V CB -0.546 31.271 31.823 -0.010 0.000 0.681 27 V HN 0.839 nan 8.190 nan 0.000 0.459 28 K N 1.486 121.884 120.400 -0.004 0.000 2.362 28 K HA -0.085 4.235 4.320 -0.000 0.000 0.200 28 K C 1.707 178.305 176.600 -0.003 0.000 1.046 28 K CA 1.618 57.903 56.287 -0.003 0.000 0.952 28 K CB -0.601 31.899 32.500 -0.001 0.000 0.753 28 K HN 0.479 nan 8.250 nan 0.000 0.466 29 V N -0.256 119.656 119.914 -0.003 0.000 3.241 29 V HA -0.118 4.002 4.120 -0.000 0.000 0.269 29 V C 2.042 178.134 176.094 -0.003 0.000 1.151 29 V CA 1.578 63.876 62.300 -0.003 0.000 1.158 29 V CB -1.015 30.806 31.823 -0.003 0.000 0.764 29 V HN 0.555 nan 8.190 nan 0.000 0.508 30 T N -3.519 111.032 114.554 -0.005 0.000 3.037 30 T HA 0.103 4.453 4.350 -0.000 0.000 0.251 30 T C 1.579 176.275 174.700 -0.006 0.000 1.079 30 T CA 0.573 62.670 62.100 -0.006 0.000 1.067 30 T CB 0.030 68.892 68.868 -0.009 0.000 0.948 30 T HN 0.272 nan 8.240 nan 0.000 0.496 31 L N 2.913 124.133 121.223 -0.005 0.000 2.021 31 L HA 0.043 4.383 4.340 -0.000 0.000 0.241 31 L C 1.977 178.845 176.870 -0.004 0.000 1.101 31 L CA 2.151 56.989 54.840 -0.004 0.000 0.830 31 L CB -1.488 40.571 42.059 -0.001 0.000 0.924 31 L HN 0.499 nan 8.230 nan 0.000 0.444 32 G N -1.408 107.392 108.800 -0.000 0.000 2.466 32 G HA2 0.106 4.065 3.960 -0.000 0.000 0.279 32 G HA3 0.106 4.065 3.960 -0.000 0.000 0.279 32 G C -1.856 173.038 174.900 -0.010 0.000 1.410 32 G CA 0.417 45.515 45.100 -0.002 0.000 1.065 32 G HN 0.478 nan 8.290 nan 0.000 0.547 33 P HA 0.157 nan 4.420 nan 0.000 0.249 33 P C 0.375 177.665 177.300 -0.018 0.000 1.229 33 P CA 0.628 63.713 63.100 -0.024 0.000 0.788 33 P CB 0.497 32.173 31.700 -0.041 0.000 1.072 34 K N 0.342 120.736 120.400 -0.009 0.000 2.618 34 K HA 0.270 4.590 4.320 -0.000 0.000 0.207 34 K C 0.950 177.548 176.600 -0.002 0.000 1.058 34 K CA -0.240 56.044 56.287 -0.004 0.000 1.086 34 K CB 0.718 33.221 32.500 0.003 0.000 0.827 34 K HN 0.029 nan 8.250 nan 0.000 0.481 35 G N 1.536 110.333 108.800 -0.004 0.000 2.491 35 G HA2 0.070 4.030 3.960 -0.000 0.000 0.238 35 G HA3 0.070 4.030 3.960 -0.000 0.000 0.238 35 G C 0.253 175.151 174.900 -0.004 0.000 1.277 35 G CA -0.317 44.781 45.100 -0.004 0.000 0.851 35 G HN 0.054 nan 8.290 nan 0.000 0.573 36 R N 0.814 121.312 120.500 -0.003 0.000 2.541 36 R HA 0.208 4.547 4.340 -0.000 0.000 0.263 36 R C 0.057 176.354 176.300 -0.005 0.000 1.112 36 R CA -0.668 55.430 56.100 -0.003 0.000 1.170 36 R CB 0.240 30.539 30.300 -0.002 0.000 1.167 36 R HN 0.644 nan 8.270 nan 0.000 0.582 37 N N -0.979 117.719 118.700 -0.004 0.000 2.509 37 N HA 0.335 5.075 4.740 -0.000 0.000 0.287 37 N C -1.040 174.467 175.510 -0.005 0.000 1.121 37 N CA -0.477 52.570 53.050 -0.005 0.000 0.977 37 N CB 1.519 40.004 38.487 -0.004 0.000 1.167 37 N HN 0.071 nan 8.380 nan 0.000 0.476 38 V N 2.033 121.943 119.914 -0.006 0.000 2.540 38 V HA 0.344 4.464 4.120 -0.000 0.000 0.302 38 V C -0.421 175.669 176.094 -0.007 0.000 1.035 38 V CA -0.798 61.498 62.300 -0.007 0.000 0.873 38 V CB 1.837 33.655 31.823 -0.008 0.000 0.992 38 V HN 0.330 nan 8.190 nan 0.000 0.428 39 V N 6.371 126.281 119.914 -0.007 0.000 2.350 39 V HA 0.432 4.552 4.120 -0.000 0.000 0.276 39 V C -0.140 175.948 176.094 -0.009 0.000 1.028 39 V CA -0.395 61.901 62.300 -0.007 0.000 0.860 39 V CB 1.279 33.099 31.823 -0.006 0.000 0.990 39 V HN 0.602 nan 8.190 nan 0.000 0.453 40 L N 3.964 125.181 121.223 -0.010 0.000 2.280 40 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 40 L C -0.131 176.731 176.870 -0.014 0.000 1.023 40 L CA -0.527 54.305 54.840 -0.013 0.000 0.819 40 L CB 1.514 43.565 42.059 -0.013 0.000 1.212 40 L HN 0.540 nan 8.230 nan 0.000 0.420 41 D N 3.462 123.851 120.400 -0.020 0.000 2.350 41 D HA 0.214 4.854 4.640 -0.000 0.000 0.249 41 D C -0.578 175.702 176.300 -0.034 0.000 1.119 41 D CA 0.167 54.152 54.000 -0.025 0.000 0.886 41 D CB 0.924 41.705 40.800 -0.030 0.000 1.195 41 D HN 0.325 nan 8.370 nan 0.000 0.437 42 K N 1.180 121.561 120.400 -0.032 0.000 2.345 42 K HA 0.226 4.546 4.320 -0.000 0.000 0.255 42 K C 1.163 177.706 176.600 -0.096 0.000 0.934 42 K CA -0.586 55.675 56.287 -0.044 0.000 0.801 42 K CB 1.682 34.187 32.500 0.008 0.000 1.137 42 K HN 0.371 nan 8.250 nan 0.000 0.424 43 S N 1.780 117.348 115.700 -0.220 0.000 2.402 43 S HA -0.123 4.346 4.470 -0.000 0.000 0.233 43 S C 0.439 174.810 174.600 -0.382 0.000 1.030 43 S CA 0.976 58.943 58.200 -0.388 0.000 1.003 43 S CB -0.334 62.470 63.200 -0.661 0.000 0.813 43 S HN 0.382 nan 8.310 nan 0.000 0.477 44 F N 2.662 122.610 119.950 -0.004 0.000 2.411 44 F HA 0.675 5.202 4.527 -0.000 0.000 0.352 44 F C 1.295 177.093 175.800 -0.003 0.000 1.123 44 F CA -0.302 57.696 58.000 -0.003 0.000 1.044 44 F CB 0.887 39.885 39.000 -0.003 0.000 1.135 44 F HN 0.454 nan 8.300 nan 0.000 0.461 45 G N 1.643 110.559 108.800 0.192 0.000 2.512 45 G HA2 0.128 4.088 3.960 -0.000 0.000 0.240 45 G HA3 0.128 4.088 3.960 -0.000 0.000 0.240 45 G C -0.522 174.414 174.900 0.060 0.000 1.246 45 G CA -0.491 44.671 45.100 0.104 0.000 0.919 45 G HN 1.070 nan 8.290 nan 0.000 0.577 46 A N 1.068 123.915 122.820 0.044 0.000 2.302 46 A HA 0.804 5.124 4.320 -0.000 0.000 0.285 46 A C -1.466 176.131 177.584 0.022 0.000 1.105 46 A CA -0.272 51.781 52.037 0.027 0.000 0.816 46 A CB 0.215 19.227 19.000 0.020 0.000 1.067 46 A HN 0.687 nan 8.150 nan 0.000 0.489 47 P HA 0.270 nan 4.420 nan 0.000 0.273 47 P C -0.348 176.956 177.300 0.006 0.000 1.250 47 P CA 0.019 63.123 63.100 0.005 0.000 0.793 47 P CB 0.416 32.116 31.700 -0.000 0.000 1.011 48 T N 1.299 115.855 114.554 0.003 0.000 2.767 48 T HA 0.509 4.859 4.350 -0.000 0.000 0.284 48 T C 0.162 174.862 174.700 -0.001 0.000 0.973 48 T CA -0.278 61.824 62.100 0.002 0.000 0.996 48 T CB 0.035 68.904 68.868 0.001 0.000 0.927 48 T HN 0.156 nan 8.240 nan 0.000 0.456 49 I N 2.709 123.279 120.570 -0.001 0.000 2.377 49 I HA 0.550 4.720 4.170 -0.000 0.000 0.293 49 I C 0.486 176.601 176.117 -0.004 0.000 0.987 49 I CA -0.492 60.807 61.300 -0.002 0.000 1.185 49 I CB 1.779 39.778 38.000 -0.002 0.000 1.341 49 I HN 0.515 nan 8.210 nan 0.000 0.455 50 T N 4.310 118.861 114.554 -0.005 0.000 2.843 50 T HA 0.400 4.750 4.350 -0.000 0.000 0.302 50 T C -0.204 174.491 174.700 -0.008 0.000 1.232 50 T CA -0.588 61.508 62.100 -0.007 0.000 1.009 50 T CB 1.772 70.635 68.868 -0.008 0.000 1.254 50 T HN 0.684 nan 8.240 nan 0.000 0.504 51 K N 1.127 121.522 120.400 -0.009 0.000 2.469 51 K HA 0.202 4.522 4.320 -0.000 0.000 0.204 51 K C -0.768 175.825 176.600 -0.012 0.000 1.047 51 K CA -0.305 55.976 56.287 -0.009 0.000 1.072 51 K CB 0.575 33.070 32.500 -0.009 0.000 0.863 51 K HN 0.431 nan 8.250 nan 0.000 0.530 52 D N 0.378 120.770 120.400 -0.013 0.000 2.380 52 D HA 0.103 4.743 4.640 -0.000 0.000 0.230 52 D C 1.203 177.492 176.300 -0.017 0.000 1.154 52 D CA -0.102 53.888 54.000 -0.016 0.000 0.859 52 D CB 1.250 42.040 40.800 -0.016 0.000 1.045 52 D HN 0.214 nan 8.370 nan 0.000 0.495 53 G N 2.519 111.308 108.800 -0.018 0.000 2.450 53 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 53 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 53 G C 1.496 176.382 174.900 -0.022 0.000 1.130 53 G CA 0.676 45.765 45.100 -0.018 0.000 0.760 53 G HN 0.487 nan 8.290 nan 0.000 0.557 54 V N 0.874 120.773 119.914 -0.026 0.000 2.427 54 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 54 V C 3.072 179.150 176.094 -0.027 0.000 1.051 54 V CA 2.115 64.397 62.300 -0.030 0.000 1.048 54 V CB -0.340 31.461 31.823 -0.036 0.000 0.666 54 V HN 0.369 nan 8.190 nan 0.000 0.456 55 S N -0.005 115.681 115.700 -0.023 0.000 2.356 55 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 55 S C 2.055 176.643 174.600 -0.021 0.000 1.032 55 S CA 1.514 59.702 58.200 -0.021 0.000 1.005 55 S CB -0.257 62.933 63.200 -0.016 0.000 0.867 55 S HN 0.373 nan 8.310 nan 0.000 0.449 56 V N 2.317 122.220 119.914 -0.019 0.000 2.255 56 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 56 V C 2.711 178.793 176.094 -0.020 0.000 1.051 56 V CA 1.836 64.125 62.300 -0.018 0.000 1.018 56 V CB -1.330 30.484 31.823 -0.015 0.000 0.641 56 V HN 0.552 nan 8.190 nan 0.000 0.445 57 A N -0.500 122.307 122.820 -0.022 0.000 1.908 57 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 57 A C 2.402 179.970 177.584 -0.027 0.000 1.181 57 A CA 2.078 54.101 52.037 -0.024 0.000 0.627 57 A CB -0.636 18.348 19.000 -0.027 0.000 0.818 57 A HN 0.461 nan 8.150 nan 0.000 0.445 58 R N -0.596 119.886 120.500 -0.030 0.000 2.117 58 R HA -0.149 4.191 4.340 -0.000 0.000 0.243 58 R C 1.579 177.860 176.300 -0.032 0.000 1.143 58 R CA 1.556 57.635 56.100 -0.034 0.000 0.968 58 R CB -0.152 30.128 30.300 -0.034 0.000 0.863 58 R HN 0.507 nan 8.270 nan 0.000 0.444 59 E N 0.088 120.272 120.200 -0.028 0.000 2.427 59 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 59 E C 0.286 176.870 176.600 -0.026 0.000 1.028 59 E CA 0.276 56.660 56.400 -0.027 0.000 0.864 59 E CB 0.169 29.855 29.700 -0.024 0.000 0.813 59 E HN 0.201 nan 8.360 nan 0.000 0.514 60 I N 1.991 122.546 120.570 -0.024 0.000 2.379 60 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 60 I C 0.332 176.435 176.117 -0.023 0.000 1.063 60 I CA 0.156 61.443 61.300 -0.021 0.000 1.351 60 I CB 0.187 38.176 38.000 -0.018 0.000 1.410 60 I HN -0.069 nan 8.210 nan 0.000 0.505 61 E N 7.011 127.198 120.200 -0.022 0.000 2.291 61 E HA 0.483 4.833 4.350 -0.000 0.000 0.276 61 E C -1.657 174.931 176.600 -0.020 0.000 0.896 61 E CA -0.587 55.799 56.400 -0.024 0.000 0.774 61 E CB 1.970 31.654 29.700 -0.028 0.000 1.227 61 E HN 0.437 nan 8.360 nan 0.000 0.413 62 L N 3.399 124.612 121.223 -0.018 0.000 2.344 62 L HA 0.378 4.718 4.340 -0.000 0.000 0.272 62 L C 1.489 178.349 176.870 -0.017 0.000 1.035 62 L CA -0.419 54.413 54.840 -0.013 0.000 0.807 62 L CB 1.473 43.530 42.059 -0.004 0.000 1.237 62 L HN 0.746 nan 8.230 nan 0.000 0.442 63 E N 0.839 121.032 120.200 -0.012 0.000 2.072 63 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 63 E C 0.527 177.119 176.600 -0.014 0.000 0.982 63 E CA 0.453 56.845 56.400 -0.015 0.000 0.803 63 E CB 0.284 29.979 29.700 -0.009 0.000 0.755 63 E HN 0.666 nan 8.360 nan 0.000 0.453 64 D N 0.619 121.021 120.400 0.004 0.000 2.401 64 D HA -0.061 4.578 4.640 -0.000 0.000 0.254 64 D C 0.667 176.959 176.300 -0.014 0.000 1.192 64 D CA 0.003 54.017 54.000 0.023 0.000 0.885 64 D CB 0.986 41.826 40.800 0.066 0.000 1.147 64 D HN -0.002 nan 8.370 nan 0.000 0.478 65 K N 3.622 123.969 120.400 -0.088 0.000 2.063 65 K HA -0.166 4.153 4.320 -0.000 0.000 0.208 65 K C 1.918 178.360 176.600 -0.264 0.000 1.048 65 K CA 1.215 57.364 56.287 -0.230 0.000 0.928 65 K CB -0.426 31.834 32.500 -0.400 0.000 0.713 65 K HN 0.498 nan 8.250 nan 0.000 0.442 66 F N 1.693 121.630 119.950 -0.022 0.000 2.084 66 F HA -0.086 4.441 4.527 -0.000 0.000 0.296 66 F C 2.444 178.231 175.800 -0.020 0.000 1.111 66 F CA 1.165 59.150 58.000 -0.025 0.000 1.224 66 F CB -0.578 38.407 39.000 -0.026 0.000 0.991 66 F HN 0.120 nan 8.300 nan 0.000 0.471 67 E N -0.052 120.247 120.200 0.165 0.000 2.085 67 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 67 E C 1.856 178.480 176.600 0.040 0.000 0.994 67 E CA 1.420 57.872 56.400 0.086 0.000 0.801 67 E CB -0.386 29.352 29.700 0.063 0.000 0.743 67 E HN 0.324 nan 8.360 nan 0.000 0.453 68 N N 0.487 119.194 118.700 0.012 0.000 2.166 68 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 68 N C 1.717 177.218 175.510 -0.016 0.000 1.019 68 N CA 1.165 54.208 53.050 -0.013 0.000 0.856 68 N CB 0.015 38.479 38.487 -0.038 0.000 0.993 68 N HN 0.076 nan 8.380 nan 0.000 0.426 69 M N -0.850 118.740 119.600 -0.017 0.000 2.159 69 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 69 M C 2.104 178.409 176.300 0.009 0.000 1.063 69 M CA 1.560 56.852 55.300 -0.013 0.000 1.110 69 M CB -0.387 32.205 32.600 -0.013 0.000 1.374 69 M HN 0.324 nan 8.290 nan 0.000 0.411 70 G N -0.217 108.600 108.800 0.028 0.000 2.404 70 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.215 70 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.215 70 G C 1.612 176.519 174.900 0.012 0.000 1.174 70 G CA 0.916 46.032 45.100 0.026 0.000 0.780 70 G HN 0.530 nan 8.290 nan 0.000 0.537 71 A N 0.191 123.015 122.820 0.007 0.000 1.858 71 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 71 A C 2.406 179.985 177.584 -0.008 0.000 1.190 71 A CA 2.008 54.045 52.037 -0.001 0.000 0.617 71 A CB -0.442 18.556 19.000 -0.004 0.000 0.827 71 A HN 0.291 nan 8.150 nan 0.000 0.443 72 Q N -0.527 119.266 119.800 -0.012 0.000 2.181 72 Q HA -0.139 4.201 4.340 -0.000 0.000 0.205 72 Q C 2.123 178.115 176.000 -0.015 0.000 0.980 72 Q CA 1.557 57.350 55.803 -0.018 0.000 0.862 72 Q CB -0.586 28.139 28.738 -0.022 0.000 0.905 72 Q HN 0.782 nan 8.270 nan 0.000 0.429 73 M N -0.173 119.423 119.600 -0.007 0.000 2.067 73 M HA -0.138 4.341 4.480 -0.000 0.000 0.260 73 M C 2.292 178.590 176.300 -0.002 0.000 1.069 73 M CA 1.639 56.938 55.300 -0.002 0.000 1.117 73 M CB -0.467 32.138 32.600 0.007 0.000 1.334 73 M HN 0.202 nan 8.290 nan 0.000 0.407 74 V N -1.045 118.869 119.914 -0.000 0.000 2.548 74 V HA -0.180 3.939 4.120 -0.000 0.000 0.249 74 V C 2.069 178.153 176.094 -0.016 0.000 1.055 74 V CA 1.767 64.067 62.300 0.000 0.000 1.065 74 V CB -0.740 31.087 31.823 0.006 0.000 0.681 74 V HN 0.440 nan 8.190 nan 0.000 0.462 75 K N 0.057 120.446 120.400 -0.020 0.000 2.032 75 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 75 K C 2.386 178.958 176.600 -0.047 0.000 1.048 75 K CA 2.198 58.467 56.287 -0.031 0.000 0.927 75 K CB -0.274 32.209 32.500 -0.027 0.000 0.712 75 K HN 0.710 nan 8.250 nan 0.000 0.441 76 E N -0.020 120.154 120.200 -0.043 0.000 2.072 76 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 76 E C 1.899 178.442 176.600 -0.094 0.000 0.985 76 E CA 1.247 57.613 56.400 -0.057 0.000 0.801 76 E CB 0.195 29.873 29.700 -0.037 0.000 0.750 76 E HN 0.141 nan 8.360 nan 0.000 0.452 77 V N 1.101 120.968 119.914 -0.078 0.000 2.379 77 V HA -0.196 3.923 4.120 -0.000 0.000 0.245 77 V C 2.437 178.400 176.094 -0.219 0.000 1.044 77 V CA 1.621 63.849 62.300 -0.120 0.000 1.036 77 V CB -0.620 31.209 31.823 0.009 0.000 0.664 77 V HN 0.335 nan 8.190 nan 0.000 0.453 78 A N 0.728 123.479 122.820 -0.115 0.000 1.972 78 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 78 A C 2.549 180.037 177.584 -0.160 0.000 1.169 78 A CA 2.046 54.021 52.037 -0.105 0.000 0.635 78 A CB -0.686 18.287 19.000 -0.045 0.000 0.810 78 A HN 0.678 nan 8.150 nan 0.000 0.446 79 S N 0.099 115.705 115.700 -0.157 0.000 2.399 79 S HA -0.196 4.274 4.470 -0.000 0.000 0.231 79 S C 1.803 176.277 174.600 -0.211 0.000 1.022 79 S CA 1.513 59.626 58.200 -0.144 0.000 0.983 79 S CB -0.405 62.732 63.200 -0.106 0.000 0.803 79 S HN 0.612 nan 8.310 nan 0.000 0.480 80 K N 1.458 121.639 120.400 -0.365 0.000 2.147 80 K HA 0.062 4.381 4.320 -0.000 0.000 0.205 80 K C 2.516 178.837 176.600 -0.465 0.000 1.049 80 K CA 1.087 57.068 56.287 -0.510 0.000 0.936 80 K CB -0.551 31.397 32.500 -0.919 0.000 0.722 80 K HN 0.533 nan 8.250 nan 0.000 0.446 81 A N 1.726 124.290 122.820 -0.426 0.000 1.877 81 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 81 A C 1.921 179.483 177.584 -0.036 0.000 1.186 81 A CA 1.979 53.984 52.037 -0.053 0.000 0.620 81 A CB -0.660 18.366 19.000 0.044 0.000 0.822 81 A HN 0.282 nan 8.150 nan 0.000 0.443 82 N N -0.011 118.635 118.700 -0.090 0.000 2.120 82 N HA -0.129 4.610 4.740 -0.000 0.000 0.188 82 N C 1.232 176.676 175.510 -0.109 0.000 1.024 82 N CA 1.567 54.556 53.050 -0.102 0.000 0.852 82 N CB -0.179 38.247 38.487 -0.102 0.000 1.003 82 N HN 0.420 nan 8.380 nan 0.000 0.424 83 D N -0.066 120.284 120.400 -0.083 0.000 2.123 83 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 83 D C 1.763 178.083 176.300 0.034 0.000 0.992 83 D CA 1.285 55.264 54.000 -0.035 0.000 0.833 83 D CB -0.481 40.289 40.800 -0.051 0.000 0.954 83 D HN 0.360 nan 8.370 nan 0.000 0.455 84 A N 0.560 123.407 122.820 0.046 0.000 1.873 84 A HA 0.127 4.447 4.320 -0.000 0.000 0.215 84 A C 2.039 179.706 177.584 0.137 0.000 1.186 84 A CA 2.071 54.176 52.037 0.114 0.000 0.616 84 A CB -0.194 18.916 19.000 0.183 0.000 0.823 84 A HN 0.248 nan 8.150 nan 0.000 0.442 85 A N -2.747 120.124 122.820 0.085 0.000 2.545 85 A HA 0.478 4.797 4.320 -0.000 0.000 0.263 85 A C 1.499 179.056 177.584 -0.044 0.000 1.202 85 A CA 0.974 53.063 52.037 0.086 0.000 0.959 85 A CB -0.376 18.664 19.000 0.068 0.000 1.124 85 A HN 1.901 nan 8.150 nan 0.000 0.543 86 G N -0.601 108.004 108.800 -0.325 0.000 2.148 86 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.254 86 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.254 86 G C -0.170 174.560 174.900 -0.283 0.000 0.981 86 G CA 0.721 45.405 45.100 -0.693 0.000 0.670 86 G HN 0.947 nan 8.290 nan 0.000 0.528 87 D N -3.404 116.908 120.400 -0.147 0.000 2.807 87 D HA 0.563 5.203 4.640 -0.000 0.000 0.279 87 D C 0.861 177.137 176.300 -0.039 0.000 1.247 87 D CA 1.539 55.491 54.000 -0.081 0.000 0.749 87 D CB 0.028 40.794 40.800 -0.057 0.000 1.264 87 D HN 1.436 nan 8.370 nan 0.000 0.421 88 G N -0.383 108.402 108.800 -0.025 0.000 2.179 88 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 88 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 88 G C 1.118 176.015 174.900 -0.004 0.000 0.990 88 G CA 0.888 45.987 45.100 -0.002 0.000 0.646 88 G HN 0.575 nan 8.290 nan 0.000 0.517 89 T N 1.021 115.560 114.554 -0.026 0.000 2.674 89 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 89 T C 2.603 177.292 174.700 -0.018 0.000 1.039 89 T CA 2.549 64.630 62.100 -0.032 0.000 1.150 89 T CB -0.453 68.386 68.868 -0.049 0.000 0.864 89 T HN 0.458 nan 8.240 nan 0.000 0.427 90 T N 1.728 116.272 114.554 -0.017 0.000 2.684 90 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 90 T C 2.229 176.928 174.700 -0.002 0.000 1.036 90 T CA 1.821 63.915 62.100 -0.011 0.000 1.148 90 T CB -0.813 68.048 68.868 -0.012 0.000 0.863 90 T HN 0.428 nan 8.240 nan 0.000 0.436 91 T N 2.224 116.779 114.554 0.001 0.000 2.635 91 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 91 T C 2.398 177.109 174.700 0.017 0.000 1.040 91 T CA 1.400 63.505 62.100 0.009 0.000 1.156 91 T CB -0.771 68.104 68.868 0.013 0.000 0.863 91 T HN 0.456 nan 8.240 nan 0.000 0.430 92 A N 1.302 124.137 122.820 0.025 0.000 1.917 92 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 92 A C 2.560 180.161 177.584 0.028 0.000 1.182 92 A CA 2.364 54.426 52.037 0.041 0.000 0.633 92 A CB -1.368 17.665 19.000 0.055 0.000 0.819 92 A HN 0.527 nan 8.150 nan 0.000 0.448 93 T N -0.500 114.061 114.554 0.013 0.000 2.701 93 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 93 T C 2.007 176.713 174.700 0.009 0.000 1.040 93 T CA 1.896 64.001 62.100 0.007 0.000 1.147 93 T CB -0.781 68.085 68.868 -0.002 0.000 0.865 93 T HN 0.698 nan 8.240 nan 0.000 0.426 94 V N 0.914 120.832 119.914 0.008 0.000 2.515 94 V HA -0.032 4.088 4.120 -0.000 0.000 0.250 94 V C 2.155 178.256 176.094 0.011 0.000 1.058 94 V CA 1.405 63.710 62.300 0.008 0.000 1.064 94 V CB -0.935 30.891 31.823 0.006 0.000 0.675 94 V HN 0.471 nan 8.190 nan 0.000 0.461 95 L N 0.589 121.822 121.223 0.016 0.000 2.027 95 L HA -0.025 4.315 4.340 -0.000 0.000 0.206 95 L C 3.077 179.959 176.870 0.019 0.000 1.074 95 L CA 1.751 56.602 54.840 0.018 0.000 0.745 95 L CB -0.978 41.096 42.059 0.024 0.000 0.898 95 L HN 0.441 nan 8.230 nan 0.000 0.433 96 A N -0.452 122.382 122.820 0.023 0.000 1.908 96 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 96 A C 2.258 179.852 177.584 0.017 0.000 1.181 96 A CA 2.101 54.152 52.037 0.024 0.000 0.627 96 A CB -0.672 18.343 19.000 0.026 0.000 0.818 96 A HN 0.532 nan 8.150 nan 0.000 0.445 97 Q N -0.573 119.235 119.800 0.013 0.000 2.050 97 Q HA -0.138 4.201 4.340 -0.000 0.000 0.202 97 Q C 2.197 178.203 176.000 0.010 0.000 0.980 97 Q CA 1.750 57.559 55.803 0.011 0.000 0.840 97 Q CB -0.373 28.370 28.738 0.008 0.000 0.898 97 Q HN 0.597 nan 8.270 nan 0.000 0.424 98 A N 0.894 123.720 122.820 0.010 0.000 1.877 98 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 98 A C 2.017 179.606 177.584 0.010 0.000 1.186 98 A CA 1.516 53.558 52.037 0.009 0.000 0.620 98 A CB -0.715 18.290 19.000 0.009 0.000 0.822 98 A HN 0.499 nan 8.150 nan 0.000 0.443 99 I N -0.430 120.147 120.570 0.012 0.000 2.179 99 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 99 I C 2.328 178.452 176.117 0.011 0.000 1.088 99 I CA 1.358 62.665 61.300 0.012 0.000 1.357 99 I CB -0.394 37.614 38.000 0.014 0.000 1.051 99 I HN 0.295 nan 8.210 nan 0.000 0.409 100 I N 0.384 120.962 120.570 0.013 0.000 2.226 100 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 100 I C 2.584 178.707 176.117 0.010 0.000 1.100 100 I CA 1.542 62.849 61.300 0.012 0.000 1.374 100 I CB -0.621 37.387 38.000 0.014 0.000 1.057 100 I HN 0.251 nan 8.210 nan 0.000 0.413 101 T N 0.246 114.805 114.554 0.009 0.000 2.622 101 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 101 T C 1.842 176.546 174.700 0.006 0.000 1.047 101 T CA 1.366 63.470 62.100 0.007 0.000 1.159 101 T CB -0.194 68.678 68.868 0.006 0.000 0.863 101 T HN 0.278 nan 8.240 nan 0.000 0.422 102 E N 0.674 120.878 120.200 0.006 0.000 2.106 102 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 102 E C 2.545 179.149 176.600 0.006 0.000 0.984 102 E CA 1.033 57.436 56.400 0.006 0.000 0.806 102 E CB -0.914 28.790 29.700 0.006 0.000 0.750 102 E HN 0.568 nan 8.360 nan 0.000 0.458 103 G N 1.432 110.237 108.800 0.007 0.000 2.446 103 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 103 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 103 G C 1.735 176.639 174.900 0.007 0.000 1.168 103 G CA 0.641 45.745 45.100 0.008 0.000 0.771 103 G HN 0.193 nan 8.290 nan 0.000 0.551 104 L N -0.186 121.041 121.223 0.007 0.000 2.093 104 L HA -0.032 4.307 4.340 -0.000 0.000 0.208 104 L C 2.967 179.840 176.870 0.005 0.000 1.085 104 L CA 1.086 55.929 54.840 0.006 0.000 0.755 104 L CB -0.328 41.734 42.059 0.006 0.000 0.904 104 L HN 0.192 nan 8.230 nan 0.000 0.435 105 K N 0.227 120.629 120.400 0.004 0.000 2.032 105 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 105 K C 2.262 178.864 176.600 0.003 0.000 1.048 105 K CA 1.504 57.793 56.287 0.003 0.000 0.927 105 K CB -0.276 32.225 32.500 0.003 0.000 0.712 105 K HN 0.283 nan 8.250 nan 0.000 0.441 106 A N 1.012 123.835 122.820 0.004 0.000 1.908 106 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 106 A C 2.370 179.956 177.584 0.004 0.000 1.181 106 A CA 1.661 53.700 52.037 0.004 0.000 0.627 106 A CB -0.754 18.249 19.000 0.005 0.000 0.818 106 A HN 0.096 nan 8.150 nan 0.000 0.445 107 V N -0.224 119.693 119.914 0.005 0.000 2.343 107 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 107 V C 3.042 179.139 176.094 0.005 0.000 1.051 107 V CA 1.970 64.274 62.300 0.006 0.000 1.036 107 V CB -1.216 30.612 31.823 0.008 0.000 0.654 107 V HN 0.630 nan 8.190 nan 0.000 0.451 108 A N -0.024 122.799 122.820 0.004 0.000 1.972 108 A HA -0.060 4.259 4.320 -0.000 0.000 0.219 108 A C 2.308 179.894 177.584 0.002 0.000 1.169 108 A CA 1.769 53.807 52.037 0.003 0.000 0.635 108 A CB -0.645 18.356 19.000 0.001 0.000 0.810 108 A HN 0.593 nan 8.150 nan 0.000 0.446 109 A N -1.903 120.918 122.820 0.002 0.000 2.216 109 A HA 0.358 4.678 4.320 -0.000 0.000 0.214 109 A C 1.839 179.424 177.584 0.002 0.000 1.160 109 A CA 1.451 53.489 52.037 0.001 0.000 0.725 109 A CB -0.858 18.143 19.000 0.002 0.000 0.784 109 A HN 1.885 nan 8.150 nan 0.000 0.472 110 G N -2.347 106.455 108.800 0.002 0.000 2.179 110 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 110 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 110 G C 0.178 175.080 174.900 0.003 0.000 0.990 110 G CA 0.125 45.227 45.100 0.002 0.000 0.646 110 G HN 0.362 nan 8.290 nan 0.000 0.517 111 M N 0.816 120.418 119.600 0.004 0.000 2.241 111 M HA 0.227 4.707 4.480 -0.000 0.000 0.335 111 M C 0.737 177.041 176.300 0.005 0.000 1.122 111 M CA -0.405 54.898 55.300 0.004 0.000 1.164 111 M CB 0.400 33.003 32.600 0.004 0.000 1.459 111 M HN 0.183 nan 8.290 nan 0.000 0.461 112 N N 2.499 121.202 118.700 0.005 0.000 2.452 112 N HA 0.096 4.836 4.740 -0.000 0.000 0.266 112 N C -2.127 173.388 175.510 0.008 0.000 1.175 112 N CA -1.257 51.797 53.050 0.007 0.000 0.945 112 N CB 1.244 39.734 38.487 0.006 0.000 1.063 112 N HN 0.279 nan 8.380 nan 0.000 0.472 113 P HA -0.130 nan 4.420 nan 0.000 0.215 113 P C 1.654 178.959 177.300 0.010 0.000 1.153 113 P CA 1.427 64.533 63.100 0.010 0.000 0.853 113 P CB 0.213 31.921 31.700 0.013 0.000 0.788 114 M N -0.924 118.682 119.600 0.010 0.000 2.159 114 M HA -0.132 4.347 4.480 -0.000 0.000 0.263 114 M C 1.495 177.799 176.300 0.007 0.000 1.063 114 M CA 1.652 56.957 55.300 0.009 0.000 1.110 114 M CB -1.713 30.892 32.600 0.009 0.000 1.374 114 M HN -0.001 nan 8.290 nan 0.000 0.411 115 D N 0.412 120.816 120.400 0.006 0.000 2.149 115 D HA -0.017 4.622 4.640 -0.000 0.000 0.201 115 D C 2.346 178.649 176.300 0.005 0.000 0.972 115 D CA 0.837 54.840 54.000 0.005 0.000 0.835 115 D CB -0.060 40.743 40.800 0.004 0.000 0.966 115 D HN 0.316 nan 8.370 nan 0.000 0.476 116 L N 0.892 122.118 121.223 0.006 0.000 2.042 116 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 116 L C 2.563 179.436 176.870 0.006 0.000 1.076 116 L CA 1.251 56.095 54.840 0.006 0.000 0.749 116 L CB -0.317 41.746 42.059 0.007 0.000 0.893 116 L HN 0.001 nan 8.230 nan 0.000 0.432 117 K N 0.358 120.762 120.400 0.007 0.000 2.026 117 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 117 K C 2.316 178.919 176.600 0.004 0.000 1.048 117 K CA 1.406 57.697 56.287 0.007 0.000 0.929 117 K CB -0.062 32.443 32.500 0.008 0.000 0.713 117 K HN 0.062 nan 8.250 nan 0.000 0.439 118 R N -0.205 120.298 120.500 0.004 0.000 2.105 118 R HA -0.110 4.230 4.340 -0.000 0.000 0.239 118 R C 2.299 178.600 176.300 0.001 0.000 1.135 118 R CA 1.773 57.874 56.100 0.002 0.000 0.967 118 R CB -0.527 29.775 30.300 0.002 0.000 0.861 118 R HN 0.443 nan 8.270 nan 0.000 0.442 119 G N 0.546 109.347 108.800 0.002 0.000 2.404 119 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 119 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 119 G C 1.431 176.332 174.900 0.002 0.000 1.174 119 G CA 0.742 45.843 45.100 0.002 0.000 0.780 119 G HN 0.248 nan 8.290 nan 0.000 0.537 120 I N 1.074 121.646 120.570 0.003 0.000 2.163 120 I HA -0.167 4.002 4.170 -0.000 0.000 0.243 120 I C 2.304 178.421 176.117 -0.000 0.000 1.085 120 I CA 1.304 62.605 61.300 0.003 0.000 1.347 120 I CB -0.178 37.825 38.000 0.005 0.000 1.044 120 I HN 0.081 nan 8.210 nan 0.000 0.408 121 D N 0.753 121.152 120.400 -0.002 0.000 2.117 121 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 121 D C 2.062 178.358 176.300 -0.007 0.000 0.987 121 D CA 1.209 55.206 54.000 -0.006 0.000 0.829 121 D CB -0.213 40.583 40.800 -0.006 0.000 0.961 121 D HN 0.294 nan 8.370 nan 0.000 0.460 122 K N 0.865 121.263 120.400 -0.004 0.000 2.032 122 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 122 K C 2.050 178.648 176.600 -0.003 0.000 1.048 122 K CA 1.440 57.725 56.287 -0.003 0.000 0.927 122 K CB -0.063 32.437 32.500 -0.001 0.000 0.712 122 K HN 0.014 nan 8.250 nan 0.000 0.441 123 A N 0.479 123.299 122.820 -0.001 0.000 1.902 123 A HA -0.119 4.200 4.320 -0.000 0.000 0.217 123 A C 2.244 179.826 177.584 -0.002 0.000 1.181 123 A CA 1.749 53.786 52.037 -0.000 0.000 0.623 123 A CB -0.648 18.354 19.000 0.002 0.000 0.818 123 A HN 0.190 nan 8.150 nan 0.000 0.443 124 V N -0.310 119.601 119.914 -0.005 0.000 2.358 124 V HA -0.207 3.912 4.120 -0.000 0.000 0.246 124 V C 2.721 178.807 176.094 -0.013 0.000 1.047 124 V CA 2.403 64.697 62.300 -0.009 0.000 1.035 124 V CB -1.206 30.608 31.823 -0.015 0.000 0.658 124 V HN 0.610 nan 8.190 nan 0.000 0.452 125 T N 0.407 114.953 114.554 -0.013 0.000 2.788 125 T HA -0.148 4.201 4.350 -0.000 0.000 0.268 125 T C 2.032 176.727 174.700 -0.009 0.000 1.044 125 T CA 1.580 63.672 62.100 -0.014 0.000 1.139 125 T CB -0.355 68.505 68.868 -0.013 0.000 0.867 125 T HN 0.571 nan 8.240 nan 0.000 0.454 126 A N 1.408 124.225 122.820 -0.005 0.000 1.897 126 A HA 0.270 4.590 4.320 -0.000 0.000 0.215 126 A C 2.670 180.253 177.584 -0.000 0.000 1.181 126 A CA 1.610 53.646 52.037 -0.002 0.000 0.620 126 A CB -1.114 17.887 19.000 0.001 0.000 0.821 126 A HN 0.485 nan 8.150 nan 0.000 0.443 127 A N -0.437 122.382 122.820 -0.001 0.000 1.908 127 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 127 A C 2.203 179.787 177.584 -0.000 0.000 1.181 127 A CA 1.910 53.949 52.037 0.002 0.000 0.627 127 A CB -0.970 18.031 19.000 0.002 0.000 0.818 127 A HN 0.413 nan 8.150 nan 0.000 0.445 128 V N -0.318 119.592 119.914 -0.006 0.000 2.407 128 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 128 V C 2.542 178.634 176.094 -0.004 0.000 1.055 128 V CA 2.323 64.618 62.300 -0.008 0.000 1.049 128 V CB -0.645 31.167 31.823 -0.018 0.000 0.662 128 V HN 0.583 nan 8.190 nan 0.000 0.455 129 E N 0.048 120.247 120.200 -0.003 0.000 2.107 129 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 129 E C 2.135 178.738 176.600 0.004 0.000 0.982 129 E CA 0.845 57.245 56.400 0.000 0.000 0.809 129 E CB -0.160 29.540 29.700 -0.000 0.000 0.756 129 E HN 0.531 nan 8.360 nan 0.000 0.459 130 E N -0.495 119.708 120.200 0.005 0.000 2.150 130 E HA -0.098 4.251 4.350 -0.000 0.000 0.193 130 E C 1.598 178.205 176.600 0.011 0.000 0.985 130 E CA 0.361 56.767 56.400 0.009 0.000 0.814 130 E CB -0.155 29.551 29.700 0.011 0.000 0.752 130 E HN 0.144 nan 8.360 nan 0.000 0.466 131 L N 0.657 121.886 121.223 0.009 0.000 2.093 131 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 131 L C 1.765 178.641 176.870 0.011 0.000 1.085 131 L CA 1.709 56.555 54.840 0.011 0.000 0.755 131 L CB -0.296 41.768 42.059 0.008 0.000 0.904 131 L HN 0.025 nan 8.230 nan 0.000 0.435 132 K N -1.128 119.277 120.400 0.008 0.000 2.057 132 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 132 K C 2.068 178.674 176.600 0.010 0.000 1.050 132 K CA 1.229 57.521 56.287 0.008 0.000 0.935 132 K CB -0.293 32.210 32.500 0.006 0.000 0.715 132 K HN 0.330 nan 8.250 nan 0.000 0.439 133 A N 1.435 124.261 122.820 0.011 0.000 1.930 133 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 133 A C 2.056 179.650 177.584 0.015 0.000 1.175 133 A CA 1.002 53.046 52.037 0.012 0.000 0.627 133 A CB -0.481 18.526 19.000 0.011 0.000 0.815 133 A HN 0.234 nan 8.150 nan 0.000 0.443 134 L N -0.368 120.865 121.223 0.017 0.000 2.156 134 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 134 L C 1.410 178.292 176.870 0.021 0.000 1.095 134 L CA 0.626 55.479 54.840 0.022 0.000 0.770 134 L CB -0.259 41.814 42.059 0.024 0.000 0.914 134 L HN 0.412 nan 8.230 nan 0.000 0.439 135 S N -0.222 115.489 115.700 0.018 0.000 2.563 135 S HA 0.032 4.502 4.470 -0.000 0.000 0.294 135 S C -0.202 174.408 174.600 0.016 0.000 1.279 135 S CA -0.393 57.817 58.200 0.016 0.000 1.069 135 S CB 0.398 63.606 63.200 0.014 0.000 0.828 135 S HN 0.075 nan 8.310 nan 0.000 0.497 136 V N 8.569 128.492 119.914 0.016 0.000 2.427 136 V HA 0.403 4.522 4.120 -0.000 0.000 0.286 136 V C -2.049 174.053 176.094 0.013 0.000 1.034 136 V CA -1.864 60.444 62.300 0.015 0.000 0.893 136 V CB 1.369 33.202 31.823 0.015 0.000 0.982 136 V HN 0.763 nan 8.190 nan 0.000 0.452 137 P HA 0.186 nan 4.420 nan 0.000 0.272 137 P C -0.735 176.571 177.300 0.010 0.000 1.223 137 P CA -0.264 62.842 63.100 0.010 0.000 0.784 137 P CB 0.498 32.203 31.700 0.009 0.000 0.923 138 C N 2.671 121.977 119.300 0.009 0.000 2.814 138 C HA 0.474 4.933 4.460 -0.000 0.000 0.269 138 C C 1.019 176.014 174.990 0.007 0.000 1.090 138 C CA 0.156 59.179 59.018 0.008 0.000 1.492 138 C CB -1.331 26.415 27.740 0.010 0.000 1.825 138 C HN 0.570 nan 8.230 nan 0.000 0.442 139 S N 1.550 117.253 115.700 0.006 0.000 2.807 139 S HA 0.128 4.598 4.470 -0.000 0.000 0.247 139 S C 0.310 174.912 174.600 0.004 0.000 1.078 139 S CA 0.055 58.258 58.200 0.005 0.000 0.867 139 S CB -0.081 63.122 63.200 0.005 0.000 0.797 139 S HN 0.939 nan 8.310 nan 0.000 0.515 140 D N 2.298 122.700 120.400 0.004 0.000 2.382 140 D HA 0.061 4.701 4.640 -0.000 0.000 0.240 140 D C 0.883 177.184 176.300 0.002 0.000 1.146 140 D CA 0.292 54.294 54.000 0.003 0.000 0.897 140 D CB 0.856 41.658 40.800 0.003 0.000 1.197 140 D HN 0.246 nan 8.370 nan 0.000 0.432 141 S N 0.479 116.180 115.700 0.002 0.000 2.547 141 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 141 S C 1.484 176.085 174.600 0.002 0.000 0.980 141 S CA 0.525 58.725 58.200 0.001 0.000 0.941 141 S CB -0.244 62.956 63.200 0.000 0.000 0.763 141 S HN 0.627 nan 8.310 nan 0.000 0.532 142 K N 1.481 121.882 120.400 0.002 0.000 2.076 142 K HA 0.105 4.425 4.320 -0.000 0.000 0.204 142 K C 2.265 178.867 176.600 0.003 0.000 1.051 142 K CA 0.978 57.266 56.287 0.002 0.000 0.949 142 K CB -0.539 31.962 32.500 0.002 0.000 0.726 142 K HN 0.413 nan 8.250 nan 0.000 0.443 143 A N 1.658 124.480 122.820 0.004 0.000 1.873 143 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 143 A C 2.082 179.669 177.584 0.005 0.000 1.186 143 A CA 1.183 53.222 52.037 0.005 0.000 0.616 143 A CB -0.550 18.453 19.000 0.005 0.000 0.823 143 A HN 0.322 nan 8.150 nan 0.000 0.442 144 I N -0.098 120.474 120.570 0.004 0.000 2.194 144 I HA -0.337 3.832 4.170 -0.000 0.000 0.246 144 I C 2.936 179.055 176.117 0.004 0.000 1.093 144 I CA 1.210 62.512 61.300 0.004 0.000 1.355 144 I CB -0.352 37.649 38.000 0.002 0.000 1.046 144 I HN 0.387 nan 8.210 nan 0.000 0.413 145 A N 0.231 123.052 122.820 0.003 0.000 1.930 145 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 145 A C 2.249 179.835 177.584 0.002 0.000 1.175 145 A CA 1.314 53.352 52.037 0.002 0.000 0.627 145 A CB -0.496 18.505 19.000 0.001 0.000 0.815 145 A HN 0.492 nan 8.150 nan 0.000 0.443 146 Q N -0.365 119.436 119.800 0.003 0.000 2.050 146 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 146 Q C 2.110 178.111 176.000 0.003 0.000 0.980 146 Q CA 1.655 57.459 55.803 0.002 0.000 0.840 146 Q CB -0.452 28.287 28.738 0.003 0.000 0.898 146 Q HN 0.474 nan 8.270 nan 0.000 0.424 147 V N 0.879 120.796 119.914 0.005 0.000 2.407 147 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 147 V C 2.237 178.336 176.094 0.007 0.000 1.055 147 V CA 1.951 64.255 62.300 0.007 0.000 1.049 147 V CB -1.095 30.734 31.823 0.010 0.000 0.662 147 V HN 0.535 nan 8.190 nan 0.000 0.455 148 G N -0.541 108.264 108.800 0.007 0.000 2.403 148 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 148 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 148 G C 1.678 176.581 174.900 0.005 0.000 1.154 148 G CA 1.344 46.449 45.100 0.008 0.000 0.784 148 G HN 0.473 nan 8.290 nan 0.000 0.538 149 T N 1.368 115.924 114.554 0.003 0.000 2.777 149 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 149 T C 2.373 177.072 174.700 -0.001 0.000 1.040 149 T CA 0.782 62.882 62.100 0.000 0.000 1.141 149 T CB -0.109 68.758 68.868 -0.001 0.000 0.868 149 T HN 0.229 nan 8.240 nan 0.000 0.444 150 I N 1.327 121.897 120.570 -0.001 0.000 2.226 150 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 150 I C 2.402 178.517 176.117 -0.003 0.000 1.100 150 I CA 1.014 62.312 61.300 -0.004 0.000 1.374 150 I CB -0.325 37.672 38.000 -0.004 0.000 1.057 150 I HN 0.177 nan 8.210 nan 0.000 0.413 151 S N 0.680 116.381 115.700 0.002 0.000 2.515 151 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 151 S C 1.500 176.102 174.600 0.003 0.000 0.987 151 S CA 0.852 59.054 58.200 0.004 0.000 0.936 151 S CB -0.063 63.144 63.200 0.012 0.000 0.766 151 S HN 0.499 nan 8.310 nan 0.000 0.528 152 A N 1.355 124.176 122.820 0.002 0.000 2.630 152 A HA 0.485 4.804 4.320 -0.000 0.000 0.290 152 A C 0.570 178.152 177.584 -0.002 0.000 1.267 152 A CA -0.476 51.562 52.037 0.001 0.000 0.950 152 A CB -0.502 18.500 19.000 0.003 0.000 1.144 152 A HN 0.340 nan 8.150 nan 0.000 0.527 153 N N -0.171 118.526 118.700 -0.005 0.000 2.756 153 N HA -0.212 4.528 4.740 -0.000 0.000 0.248 153 N C 0.202 175.707 175.510 -0.008 0.000 1.062 153 N CA 1.056 54.101 53.050 -0.008 0.000 0.696 153 N CB -1.858 36.624 38.487 -0.008 0.000 0.946 153 N HN 0.526 nan 8.380 nan 0.000 0.548 154 S N -1.553 114.143 115.700 -0.008 0.000 3.586 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.309 154 S C -0.371 174.226 174.600 -0.005 0.000 1.195 154 S CA 0.847 59.042 58.200 -0.007 0.000 0.895 154 S CB -0.983 62.211 63.200 -0.010 0.000 0.983 154 S HN 0.736 nan 8.310 nan 0.000 0.563 155 D N 1.451 121.849 120.400 -0.004 0.000 2.441 155 D HA 0.228 4.867 4.640 -0.000 0.000 0.221 155 D C 1.199 177.498 176.300 -0.002 0.000 1.156 155 D CA -0.345 53.654 54.000 -0.003 0.000 0.896 155 D CB 0.494 41.292 40.800 -0.002 0.000 1.028 155 D HN 0.452 nan 8.370 nan 0.000 0.509 156 E N 1.384 121.582 120.200 -0.002 0.000 2.160 156 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 156 E C 1.406 178.006 176.600 -0.001 0.000 0.991 156 E CA 1.130 57.529 56.400 -0.001 0.000 0.810 156 E CB 0.123 29.822 29.700 -0.002 0.000 0.742 156 E HN 0.498 nan 8.360 nan 0.000 0.466 157 T N 1.311 115.864 114.554 -0.001 0.000 2.684 157 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 157 T C 2.212 176.912 174.700 -0.000 0.000 1.036 157 T CA 1.488 63.588 62.100 -0.001 0.000 1.148 157 T CB -0.358 68.510 68.868 -0.001 0.000 0.863 157 T HN 0.011 nan 8.240 nan 0.000 0.436 158 V N 1.515 121.429 119.914 0.000 0.000 2.343 158 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 158 V C 2.903 178.998 176.094 0.002 0.000 1.051 158 V CA 1.948 64.249 62.300 0.001 0.000 1.036 158 V CB -1.502 30.322 31.823 0.003 0.000 0.654 158 V HN 0.613 nan 8.190 nan 0.000 0.451 159 G N -0.380 108.421 108.800 0.002 0.000 2.418 159 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 159 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 159 G C 1.642 176.543 174.900 0.001 0.000 1.158 159 G CA 1.111 46.212 45.100 0.002 0.000 0.771 159 G HN 0.497 nan 8.290 nan 0.000 0.545 160 K N -0.070 120.330 120.400 0.000 0.000 2.032 160 K HA 0.017 4.337 4.320 -0.000 0.000 0.209 160 K C 2.534 179.133 176.600 -0.001 0.000 1.048 160 K CA 0.953 57.240 56.287 -0.000 0.000 0.927 160 K CB -0.315 32.185 32.500 -0.001 0.000 0.712 160 K HN 0.324 nan 8.250 nan 0.000 0.441 161 L N 0.944 122.166 121.223 -0.001 0.000 1.990 161 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 161 L C 2.446 179.315 176.870 -0.002 0.000 1.072 161 L CA 1.481 56.320 54.840 -0.002 0.000 0.755 161 L CB -0.321 41.737 42.059 -0.001 0.000 0.889 161 L HN 0.295 nan 8.230 nan 0.000 0.432 162 I N -0.704 119.866 120.570 -0.001 0.000 2.226 162 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 162 I C 2.749 178.864 176.117 -0.003 0.000 1.100 162 I CA 1.110 62.409 61.300 -0.002 0.000 1.374 162 I CB -0.510 37.491 38.000 0.000 0.000 1.057 162 I HN 0.242 nan 8.210 nan 0.000 0.413 163 A N 0.596 123.415 122.820 -0.002 0.000 1.877 163 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 163 A C 2.216 179.799 177.584 -0.003 0.000 1.186 163 A CA 1.798 53.834 52.037 -0.002 0.000 0.620 163 A CB -0.607 18.393 19.000 -0.001 0.000 0.822 163 A HN 0.440 nan 8.150 nan 0.000 0.443 164 E N -0.386 119.812 120.200 -0.003 0.000 2.077 164 E HA -0.113 4.236 4.350 -0.000 0.000 0.193 164 E C 2.336 178.934 176.600 -0.005 0.000 0.989 164 E CA 0.981 57.379 56.400 -0.003 0.000 0.800 164 E CB -0.282 29.416 29.700 -0.003 0.000 0.746 164 E HN 0.625 nan 8.360 nan 0.000 0.452 165 A N 1.060 123.876 122.820 -0.006 0.000 1.873 165 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 165 A C 2.158 179.737 177.584 -0.009 0.000 1.186 165 A CA 1.285 53.317 52.037 -0.008 0.000 0.616 165 A CB -0.415 18.579 19.000 -0.009 0.000 0.823 165 A HN 0.139 nan 8.150 nan 0.000 0.442 166 M N -0.894 118.701 119.600 -0.008 0.000 2.279 166 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 166 M C 1.785 178.081 176.300 -0.007 0.000 1.062 166 M CA 1.860 57.155 55.300 -0.009 0.000 1.099 166 M CB -0.516 32.079 32.600 -0.008 0.000 1.394 166 M HN 0.516 nan 8.290 nan 0.000 0.426 167 D N 0.521 120.918 120.400 -0.005 0.000 2.144 167 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 167 D C 2.028 178.325 176.300 -0.005 0.000 0.978 167 D CA 1.114 55.111 54.000 -0.004 0.000 0.833 167 D CB 0.275 41.073 40.800 -0.003 0.000 0.961 167 D HN 0.016 nan 8.370 nan 0.000 0.470 168 K N -0.016 120.380 120.400 -0.005 0.000 1.973 168 K HA -0.053 4.267 4.320 -0.000 0.000 0.210 168 K C 2.087 178.683 176.600 -0.006 0.000 1.045 168 K CA 1.458 57.741 56.287 -0.005 0.000 0.937 168 K CB -0.643 31.854 32.500 -0.006 0.000 0.721 168 K HN 0.281 nan 8.250 nan 0.000 0.438 169 V N -2.240 117.669 119.914 -0.007 0.000 3.649 169 V HA 0.310 4.430 4.120 -0.000 0.000 0.275 169 V C 0.715 176.805 176.094 -0.008 0.000 1.281 169 V CA 0.290 62.586 62.300 -0.008 0.000 1.143 169 V CB -0.712 31.105 31.823 -0.010 0.000 0.892 169 V HN 0.428 nan 8.190 nan 0.000 0.441 170 G N 0.913 109.709 108.800 -0.007 0.000 2.758 170 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 170 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 170 G C 0.073 174.968 174.900 -0.008 0.000 1.389 170 G CA 0.055 45.151 45.100 -0.007 0.000 0.845 170 G HN 0.341 nan 8.290 nan 0.000 0.572 171 K N 0.068 120.464 120.400 -0.007 0.000 2.209 171 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 171 K C 1.972 178.565 176.600 -0.011 0.000 1.048 171 K CA 1.710 57.993 56.287 -0.008 0.000 0.940 171 K CB -0.010 32.487 32.500 -0.005 0.000 0.729 171 K HN 0.522 nan 8.250 nan 0.000 0.451 172 E N 0.370 120.564 120.200 -0.009 0.000 2.442 172 E HA 0.013 4.362 4.350 -0.000 0.000 0.195 172 E C 1.023 177.614 176.600 -0.014 0.000 1.030 172 E CA 0.115 56.509 56.400 -0.010 0.000 0.869 172 E CB -0.024 29.672 29.700 -0.006 0.000 0.857 172 E HN 0.258 nan 8.360 nan 0.000 0.505 173 G N 1.420 110.212 108.800 -0.014 0.000 2.647 173 G HA2 0.110 4.070 3.960 -0.000 0.000 0.234 173 G HA3 0.110 4.070 3.960 -0.000 0.000 0.234 173 G C 0.117 175.004 174.900 -0.022 0.000 1.252 173 G CA -0.358 44.733 45.100 -0.014 0.000 0.846 173 G HN -0.014 nan 8.290 nan 0.000 0.589 174 V N 2.046 121.948 119.914 -0.020 0.000 2.432 174 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 174 V C 0.360 176.437 176.094 -0.029 0.000 1.043 174 V CA -0.124 62.159 62.300 -0.028 0.000 0.925 174 V CB 0.939 32.749 31.823 -0.022 0.000 0.985 174 V HN 0.478 nan 8.190 nan 0.000 0.466 175 I N 4.260 124.807 120.570 -0.038 0.000 2.436 175 I HA 0.448 4.617 4.170 -0.000 0.000 0.289 175 I C 0.044 176.139 176.117 -0.036 0.000 1.010 175 I CA -0.146 61.134 61.300 -0.033 0.000 1.098 175 I CB 2.195 40.176 38.000 -0.032 0.000 1.266 175 I HN 0.495 nan 8.210 nan 0.000 0.434 176 T N 5.262 119.800 114.554 -0.026 0.000 2.918 176 T HA 0.562 4.912 4.350 -0.000 0.000 0.286 176 T C -0.883 173.807 174.700 -0.016 0.000 1.026 176 T CA -0.546 61.540 62.100 -0.024 0.000 1.031 176 T CB 2.522 71.377 68.868 -0.022 0.000 1.046 176 T HN 0.367 nan 8.240 nan 0.000 0.479 177 V N 2.822 122.728 119.914 -0.012 0.000 2.638 177 V HA 0.824 4.944 4.120 -0.000 0.000 0.306 177 V C -1.361 174.730 176.094 -0.005 0.000 1.052 177 V CA -0.588 61.708 62.300 -0.007 0.000 0.885 177 V CB 1.642 33.463 31.823 -0.002 0.000 0.999 177 V HN 1.055 nan 8.190 nan 0.000 0.424 178 E N 3.319 123.516 120.200 -0.005 0.000 2.446 178 E HA 0.501 4.851 4.350 -0.000 0.000 0.276 178 E C -1.615 174.982 176.600 -0.004 0.000 0.969 178 E CA -1.129 55.269 56.400 -0.004 0.000 0.800 178 E CB 1.308 31.004 29.700 -0.007 0.000 1.341 178 E HN 0.540 nan 8.360 nan 0.000 0.460 179 D N 0.725 121.123 120.400 -0.003 0.000 2.506 179 D HA 0.158 4.798 4.640 -0.000 0.000 0.234 179 D C 0.241 176.539 176.300 -0.004 0.000 1.143 179 D CA 0.683 54.681 54.000 -0.003 0.000 0.871 179 D CB 0.810 41.608 40.800 -0.003 0.000 1.190 179 D HN 0.554 nan 8.370 nan 0.000 0.459 180 G N -0.355 108.443 108.800 -0.003 0.000 2.528 180 G HA2 0.323 4.283 3.960 -0.000 0.000 0.289 180 G HA3 0.323 4.283 3.960 -0.000 0.000 0.289 180 G C 0.910 175.808 174.900 -0.004 0.000 1.192 180 G CA -0.315 44.783 45.100 -0.004 0.000 0.921 180 G HN 0.446 nan 8.290 nan 0.000 0.512 181 T N -3.079 111.473 114.554 -0.004 0.000 3.107 181 T HA 0.486 4.836 4.350 -0.000 0.000 0.249 181 T C 0.866 175.564 174.700 -0.004 0.000 1.096 181 T CA 0.530 62.627 62.100 -0.004 0.000 1.012 181 T CB -0.082 68.783 68.868 -0.005 0.000 0.977 181 T HN 1.980 nan 8.240 nan 0.000 0.527 182 G N 1.285 110.083 108.800 -0.003 0.000 2.326 182 G HA2 0.240 4.200 3.960 -0.000 0.000 0.299 182 G HA3 0.240 4.200 3.960 -0.000 0.000 0.299 182 G C -0.571 174.327 174.900 -0.003 0.000 1.643 182 G CA -0.747 44.352 45.100 -0.003 0.000 0.916 182 G HN 0.515 nan 8.290 nan 0.000 0.700 183 L N 1.564 122.786 121.223 -0.002 0.000 5.090 183 L HA -0.150 4.190 4.340 -0.000 0.000 0.471 183 L C -0.131 176.738 176.870 -0.002 0.000 1.241 183 L CA 2.027 56.866 54.840 -0.002 0.000 0.601 183 L CB -1.131 40.927 42.059 -0.002 0.000 1.240 183 L HN 0.965 nan 8.230 nan 0.000 0.641 184 Q N 1.921 121.719 119.800 -0.002 0.000 3.277 184 Q HA 0.091 4.431 4.340 -0.000 0.000 0.166 184 Q C -1.306 174.692 176.000 -0.003 0.000 0.995 184 Q CA -0.631 55.170 55.803 -0.002 0.000 1.203 184 Q CB 0.827 29.563 28.738 -0.003 0.000 1.880 184 Q HN 0.505 nan 8.270 nan 0.000 0.587 185 D N 2.638 123.036 120.400 -0.003 0.000 2.313 185 D HA 0.296 4.935 4.640 -0.000 0.000 0.247 185 D C -0.343 175.955 176.300 -0.003 0.000 1.094 185 D CA 0.163 54.161 54.000 -0.003 0.000 0.925 185 D CB 1.054 41.852 40.800 -0.003 0.000 1.188 185 D HN 0.334 nan 8.370 nan 0.000 0.430 186 E N 0.197 120.395 120.200 -0.004 0.000 2.292 186 E HA 0.471 4.821 4.350 -0.000 0.000 0.272 186 E C -1.159 175.438 176.600 -0.005 0.000 0.881 186 E CA -0.901 55.497 56.400 -0.004 0.000 0.754 186 E CB 2.543 32.240 29.700 -0.005 0.000 1.201 186 E HN 0.079 nan 8.360 nan 0.000 0.425 187 L N 2.714 123.934 121.223 -0.005 0.000 2.376 187 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 187 L C -1.685 175.182 176.870 -0.006 0.000 0.987 187 L CA -0.099 54.738 54.840 -0.006 0.000 0.828 187 L CB 1.294 43.350 42.059 -0.005 0.000 1.249 187 L HN 0.463 nan 8.230 nan 0.000 0.409 188 D N 3.952 124.348 120.400 -0.006 0.000 2.857 188 D HA 0.434 5.074 4.640 -0.000 0.000 0.227 188 D C -1.147 175.149 176.300 -0.007 0.000 1.192 188 D CA -0.266 53.730 54.000 -0.006 0.000 0.857 188 D CB 2.960 43.756 40.800 -0.006 0.000 1.645 188 D HN 0.260 nan 8.370 nan 0.000 0.482 189 V N 1.589 121.500 119.914 -0.006 0.000 2.427 189 V HA 0.482 4.602 4.120 -0.000 0.000 0.286 189 V C 0.563 176.654 176.094 -0.005 0.000 1.034 189 V CA -0.539 61.758 62.300 -0.006 0.000 0.893 189 V CB 1.373 33.193 31.823 -0.005 0.000 0.982 189 V HN 0.465 nan 8.190 nan 0.000 0.452 190 V N 1.629 121.540 119.914 -0.005 0.000 3.156 190 V HA 0.713 4.832 4.120 -0.000 0.000 0.311 190 V C -0.419 175.674 176.094 -0.002 0.000 1.208 190 V CA -1.041 61.256 62.300 -0.004 0.000 1.063 190 V CB 2.205 34.024 31.823 -0.006 0.000 1.098 190 V HN 0.645 nan 8.190 nan 0.000 0.452 191 E N 1.380 121.580 120.200 -0.001 0.000 2.299 191 E HA 0.614 4.964 4.350 -0.000 0.000 0.272 191 E C 0.211 176.814 176.600 0.006 0.000 1.043 191 E CA 0.929 57.331 56.400 0.003 0.000 0.895 191 E CB 0.657 30.359 29.700 0.003 0.000 1.011 191 E HN 1.199 nan 8.360 nan 0.000 0.432 192 G N 1.398 110.205 108.800 0.011 0.000 2.548 192 G HA2 0.641 4.601 3.960 -0.000 0.000 0.301 192 G HA3 0.641 4.601 3.960 -0.000 0.000 0.301 192 G C -1.208 173.710 174.900 0.030 0.000 1.349 192 G CA -0.631 44.479 45.100 0.018 0.000 0.792 192 G HN 0.396 nan 8.290 nan 0.000 0.481 193 M N -0.223 119.405 119.600 0.046 0.000 2.694 193 M HA 0.526 5.005 4.480 -0.000 0.000 0.276 193 M C -2.315 174.038 176.300 0.089 0.000 1.167 193 M CA -0.640 54.705 55.300 0.075 0.000 0.849 193 M CB 2.477 35.141 32.600 0.105 0.000 1.705 193 M HN 0.747 nan 8.290 nan 0.000 0.504 194 Q N 3.328 123.186 119.800 0.097 0.000 2.271 194 Q HA 0.629 4.969 4.340 -0.000 0.000 0.268 194 Q C -2.214 173.857 176.000 0.118 0.000 1.021 194 Q CA -0.651 55.167 55.803 0.024 0.000 0.802 194 Q CB 1.826 30.540 28.738 -0.041 0.000 1.282 194 Q HN 0.566 nan 8.270 nan 0.000 0.431 195 F N 0.012 119.955 119.950 -0.011 0.000 2.598 195 F HA 0.567 5.094 4.527 -0.000 0.000 0.327 195 F C -0.430 175.365 175.800 -0.007 0.000 1.057 195 F CA -1.295 56.701 58.000 -0.006 0.000 0.957 195 F CB 0.995 39.994 39.000 -0.001 0.000 1.278 195 F HN 0.299 nan 8.300 nan 0.000 0.484 196 D N 2.916 123.423 120.400 0.178 0.000 2.619 196 D HA 0.211 4.851 4.640 -0.000 0.000 0.224 196 D C -0.276 176.081 176.300 0.096 0.000 1.133 196 D CA 0.192 54.233 54.000 0.068 0.000 1.017 196 D CB -0.020 40.822 40.800 0.069 0.000 1.077 196 D HN 0.287 nan 8.370 nan 0.000 0.503 197 R N 0.400 120.911 120.500 0.018 0.000 2.548 197 R HA 0.529 4.868 4.340 -0.000 0.000 0.280 197 R C 0.196 176.436 176.300 -0.100 0.000 1.061 197 R CA -0.730 55.401 56.100 0.052 0.000 0.915 197 R CB 2.134 32.606 30.300 0.286 0.000 1.210 197 R HN 0.263 nan 8.270 nan 0.000 0.442 198 G N 1.006 109.735 108.800 -0.119 0.000 2.613 198 G HA2 0.458 4.417 3.960 -0.000 0.000 0.303 198 G HA3 0.458 4.417 3.960 -0.000 0.000 0.303 198 G C -0.673 174.139 174.900 -0.146 0.000 1.312 198 G CA -0.564 44.378 45.100 -0.262 0.000 1.036 198 G HN 0.437 nan 8.290 nan 0.000 0.513 199 Y N -1.063 119.272 120.300 0.057 0.000 2.702 199 Y HA 0.249 4.799 4.550 -0.000 0.000 0.336 199 Y C 1.181 177.188 175.900 0.177 0.000 1.235 199 Y CA -1.019 57.159 58.100 0.131 0.000 1.492 199 Y CB 0.324 38.910 38.460 0.210 0.000 1.308 199 Y HN 0.184 nan 8.280 nan 0.000 0.589 200 L N 2.046 123.546 121.223 0.461 0.000 2.610 200 L HA 0.088 4.428 4.340 -0.000 0.000 0.232 200 L C 0.567 177.675 176.870 0.397 0.000 1.149 200 L CA 0.908 55.969 54.840 0.367 0.000 0.872 200 L CB -0.286 41.960 42.059 0.312 0.000 0.992 200 L HN 0.833 nan 8.230 nan 0.000 0.447 201 S N -1.998 114.005 115.700 0.506 0.000 2.604 201 S HA 0.323 4.792 4.470 -0.000 0.000 0.296 201 S C -2.659 171.886 174.600 -0.091 0.000 1.097 201 S CA -0.984 57.334 58.200 0.196 0.000 0.883 201 S CB 1.456 64.661 63.200 0.008 0.000 1.081 201 S HN -0.248 nan 8.310 nan 0.000 0.448 202 P HA 0.345 nan 4.420 nan 0.000 0.330 202 P C 0.160 177.163 177.300 -0.495 0.000 1.377 202 P CA 0.576 63.210 63.100 -0.777 0.000 0.793 202 P CB -0.007 31.257 31.700 -0.728 0.000 1.813 203 Y N -4.865 115.238 120.300 -0.330 0.000 2.818 203 Y HA -0.309 4.241 4.550 -0.000 0.000 0.487 203 Y C 1.886 177.669 175.900 -0.195 0.000 1.146 203 Y CA 1.555 59.492 58.100 -0.272 0.000 2.839 203 Y CB -3.007 35.237 38.460 -0.361 0.000 0.893 203 Y HN 0.104 nan 8.280 nan 0.000 0.545 204 F N 0.678 120.625 119.950 -0.006 0.000 2.307 204 F HA -0.071 4.456 4.527 -0.000 0.000 0.301 204 F C 1.474 177.240 175.800 -0.057 0.000 1.076 204 F CA 0.702 58.694 58.000 -0.014 0.000 1.383 204 F CB -0.630 38.370 39.000 -0.000 0.000 1.055 204 F HN -0.005 nan 8.300 nan 0.000 0.526 205 I N 2.203 122.773 120.570 0.001 0.000 2.741 205 I HA -0.150 4.020 4.170 -0.000 0.000 0.288 205 I C 0.509 176.635 176.117 0.015 0.000 1.192 205 I CA 0.501 61.779 61.300 -0.036 0.000 1.426 205 I CB 0.058 37.963 38.000 -0.158 0.000 1.367 205 I HN 0.187 nan 8.210 nan 0.000 0.563 206 N N 4.680 123.402 118.700 0.036 0.000 2.241 206 N HA 0.103 4.843 4.740 -0.000 0.000 0.238 206 N C -0.293 175.232 175.510 0.025 0.000 1.244 206 N CA -0.359 52.712 53.050 0.035 0.000 0.880 206 N CB 0.598 39.114 38.487 0.048 0.000 1.179 206 N HN 0.317 nan 8.380 nan 0.000 0.513 207 K N 1.018 121.430 120.400 0.020 0.000 3.301 207 K HA 0.259 4.579 4.320 -0.000 0.000 0.170 207 K C -2.118 174.489 176.600 0.011 0.000 1.061 207 K CA -1.314 54.984 56.287 0.018 0.000 0.807 207 K CB 1.801 34.316 32.500 0.025 0.000 0.889 207 K HN 0.009 nan 8.250 nan 0.000 0.564 208 P HA -0.262 nan 4.420 nan 0.000 0.218 208 P C 0.573 177.870 177.300 -0.004 0.000 1.150 208 P CA 1.576 64.669 63.100 -0.011 0.000 0.841 208 P CB 0.553 32.246 31.700 -0.012 0.000 0.784 209 E N 0.366 120.567 120.200 0.002 0.000 2.013 209 E HA -0.171 4.178 4.350 -0.000 0.000 0.202 209 E C 2.155 178.757 176.600 0.004 0.000 1.018 209 E CA 2.469 58.871 56.400 0.002 0.000 0.834 209 E CB -1.769 27.934 29.700 0.005 0.000 0.770 209 E HN 0.402 nan 8.360 nan 0.000 0.459 210 T N -2.657 111.906 114.554 0.014 0.000 3.113 210 T HA 0.236 4.586 4.350 -0.000 0.000 0.256 210 T C 1.491 176.213 174.700 0.036 0.000 1.131 210 T CA 0.299 62.413 62.100 0.023 0.000 1.074 210 T CB -0.090 68.797 68.868 0.031 0.000 0.944 210 T HN 0.427 nan 8.240 nan 0.000 0.516 211 G N 1.109 109.929 108.800 0.033 0.000 2.221 211 G HA2 0.049 4.009 3.960 -0.000 0.000 0.265 211 G HA3 0.049 4.009 3.960 -0.000 0.000 0.265 211 G C 0.106 175.077 174.900 0.118 0.000 1.041 211 G CA -0.019 45.111 45.100 0.051 0.000 0.807 211 G HN 1.176 nan 8.290 nan 0.000 0.502 212 A N -1.263 121.614 122.820 0.094 0.000 2.386 212 A HA 0.912 5.232 4.320 -0.000 0.000 0.308 212 A C -0.022 177.623 177.584 0.102 0.000 1.128 212 A CA -0.317 51.798 52.037 0.130 0.000 0.789 212 A CB 2.018 21.069 19.000 0.085 0.000 1.325 212 A HN 1.157 nan 8.150 nan 0.000 0.437 213 V N 0.944 120.937 119.914 0.130 0.000 2.481 213 V HA 0.490 4.610 4.120 -0.000 0.000 0.286 213 V C 0.069 176.196 176.094 0.055 0.000 1.042 213 V CA -0.238 62.120 62.300 0.097 0.000 0.928 213 V CB 1.208 33.105 31.823 0.122 0.000 0.986 213 V HN 0.924 nan 8.190 nan 0.000 0.462 214 E N 4.442 124.664 120.200 0.038 0.000 2.283 214 E HA 0.552 4.902 4.350 -0.000 0.000 0.258 214 E C -1.642 174.965 176.600 0.011 0.000 0.893 214 E CA -0.493 55.918 56.400 0.018 0.000 0.798 214 E CB 1.269 30.979 29.700 0.017 0.000 1.242 214 E HN 0.636 nan 8.360 nan 0.000 0.414 215 L N 3.177 124.399 121.223 -0.001 0.000 2.334 215 L HA 0.550 4.890 4.340 -0.000 0.000 0.276 215 L C -0.058 176.800 176.870 -0.021 0.000 1.014 215 L CA -0.890 53.946 54.840 -0.008 0.000 0.815 215 L CB 1.785 43.836 42.059 -0.012 0.000 1.268 215 L HN 0.448 nan 8.230 nan 0.000 0.428 216 E N 0.999 121.183 120.200 -0.027 0.000 2.183 216 E HA 0.280 4.630 4.350 -0.000 0.000 0.271 216 E C -0.274 176.283 176.600 -0.072 0.000 0.919 216 E CA -0.625 55.750 56.400 -0.041 0.000 0.781 216 E CB 1.793 31.475 29.700 -0.031 0.000 1.140 216 E HN 0.615 nan 8.360 nan 0.000 0.402 217 S N 1.580 117.225 115.700 -0.092 0.000 3.549 217 S HA -0.125 4.345 4.470 -0.000 0.000 0.366 217 S C -2.082 172.374 174.600 -0.241 0.000 1.012 217 S CA 0.445 58.552 58.200 -0.155 0.000 1.141 217 S CB -1.293 61.817 63.200 -0.149 0.000 0.910 217 S HN 0.476 nan 8.310 nan 0.000 0.471 218 P HA 0.415 nan 4.420 nan 0.000 0.276 218 P C -0.106 177.071 177.300 -0.204 0.000 1.244 218 P CA -0.482 62.525 63.100 -0.154 0.000 0.801 218 P CB 0.477 32.148 31.700 -0.048 0.000 1.006 219 F N 0.568 120.519 119.950 0.001 0.000 2.379 219 F HA 0.422 4.949 4.527 -0.000 0.000 0.332 219 F C 0.860 176.661 175.800 0.002 0.000 1.096 219 F CA -0.368 57.634 58.000 0.002 0.000 1.105 219 F CB 0.740 39.741 39.000 0.002 0.000 1.189 219 F HN 0.057 nan 8.300 nan 0.000 0.515 220 I N 4.474 125.175 120.570 0.218 0.000 2.389 220 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 220 I C -1.166 175.008 176.117 0.095 0.000 0.999 220 I CA -0.956 60.417 61.300 0.121 0.000 1.129 220 I CB 1.728 39.781 38.000 0.089 0.000 1.288 220 I HN 0.266 nan 8.210 nan 0.000 0.444 221 L N 8.333 129.595 121.223 0.065 0.000 2.264 221 L HA 0.485 4.825 4.340 -0.000 0.000 0.289 221 L C -0.963 175.922 176.870 0.025 0.000 1.044 221 L CA 0.022 54.883 54.840 0.036 0.000 0.807 221 L CB 0.752 42.825 42.059 0.023 0.000 1.192 221 L HN 0.459 nan 8.230 nan 0.000 0.425 222 L N 6.510 127.741 121.223 0.014 0.000 2.277 222 L HA 0.708 5.048 4.340 -0.000 0.000 0.284 222 L C -0.074 176.793 176.870 -0.004 0.000 1.028 222 L CA -0.414 54.426 54.840 -0.000 0.000 0.835 222 L CB 1.159 43.212 42.059 -0.009 0.000 1.215 222 L HN 0.798 nan 8.230 nan 0.000 0.425 223 A N 1.809 124.628 122.820 -0.002 0.000 2.310 223 A HA 0.358 4.678 4.320 -0.000 0.000 0.304 223 A C -0.495 177.087 177.584 -0.002 0.000 1.231 223 A CA -0.553 51.484 52.037 -0.000 0.000 0.799 223 A CB 0.761 19.765 19.000 0.007 0.000 1.162 223 A HN 0.691 nan 8.150 nan 0.000 0.486 224 D N 3.052 123.448 120.400 -0.006 0.000 2.551 224 D HA 0.396 5.036 4.640 -0.000 0.000 0.223 224 D C 0.102 176.404 176.300 0.003 0.000 1.144 224 D CA 0.419 54.415 54.000 -0.006 0.000 1.025 224 D CB -0.602 40.190 40.800 -0.012 0.000 1.085 224 D HN 0.641 nan 8.370 nan 0.000 0.506 225 K N -0.068 120.338 120.400 0.010 0.000 3.342 225 K HA 0.215 4.534 4.320 -0.000 0.000 0.345 225 K C -1.386 175.228 176.600 0.023 0.000 1.095 225 K CA -1.195 55.102 56.287 0.016 0.000 0.829 225 K CB 0.357 32.864 32.500 0.013 0.000 1.471 225 K HN -0.094 nan 8.250 nan 0.000 0.428 226 K N 1.031 121.447 120.400 0.026 0.000 2.156 226 K HA 0.480 4.800 4.320 -0.000 0.000 0.271 226 K C -0.635 175.983 176.600 0.030 0.000 0.995 226 K CA -0.640 55.666 56.287 0.032 0.000 0.890 226 K CB 1.101 33.621 32.500 0.034 0.000 1.073 226 K HN 0.369 nan 8.250 nan 0.000 0.454 227 I N 2.078 122.669 120.570 0.036 0.000 2.330 227 I HA 0.100 4.270 4.170 -0.000 0.000 0.289 227 I C 0.409 176.550 176.117 0.040 0.000 1.001 227 I CA -0.091 61.230 61.300 0.035 0.000 1.193 227 I CB 1.656 39.679 38.000 0.038 0.000 1.345 227 I HN 0.638 nan 8.210 nan 0.000 0.461 228 S N 3.852 119.571 115.700 0.032 0.000 2.549 228 S HA 0.242 4.712 4.470 -0.000 0.000 0.225 228 S C 0.322 174.938 174.600 0.027 0.000 1.039 228 S CA -0.200 58.019 58.200 0.032 0.000 0.942 228 S CB 0.214 63.430 63.200 0.027 0.000 0.881 228 S HN 0.612 nan 8.310 nan 0.000 0.503 229 N N 1.076 119.790 118.700 0.024 0.000 2.410 229 N HA 0.361 5.101 4.740 -0.000 0.000 0.287 229 N C -0.368 175.154 175.510 0.021 0.000 1.044 229 N CA -0.280 52.782 53.050 0.020 0.000 0.881 229 N CB 2.016 40.512 38.487 0.015 0.000 1.405 229 N HN 0.038 nan 8.380 nan 0.000 0.490 230 I N 1.755 122.338 120.570 0.022 0.000 3.369 230 I HA -0.120 4.050 4.170 -0.000 0.000 0.288 230 I C 2.295 178.421 176.117 0.015 0.000 1.321 230 I CA 0.674 61.987 61.300 0.023 0.000 1.358 230 I CB 0.003 38.018 38.000 0.025 0.000 1.038 230 I HN 0.431 nan 8.210 nan 0.000 0.516 231 R N 0.794 121.301 120.500 0.012 0.000 2.115 231 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 231 R C 1.773 178.077 176.300 0.006 0.000 1.111 231 R CA 1.462 57.566 56.100 0.008 0.000 0.976 231 R CB -0.012 30.292 30.300 0.006 0.000 0.870 231 R HN 0.473 nan 8.270 nan 0.000 0.445 232 E N -0.269 119.936 120.200 0.008 0.000 2.216 232 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 232 E C 1.915 178.518 176.600 0.004 0.000 0.988 232 E CA 0.711 57.114 56.400 0.005 0.000 0.834 232 E CB 0.099 29.804 29.700 0.007 0.000 0.772 232 E HN 0.296 nan 8.360 nan 0.000 0.479 233 M N 0.513 120.118 119.600 0.008 0.000 2.123 233 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 233 M C 2.357 178.658 176.300 0.002 0.000 1.069 233 M CA 1.136 56.441 55.300 0.008 0.000 1.133 233 M CB -0.959 31.652 32.600 0.018 0.000 1.356 233 M HN 0.159 nan 8.290 nan 0.000 0.415 234 L N 0.348 121.573 121.223 0.004 0.000 2.113 234 L HA -0.312 4.028 4.340 -0.000 0.000 0.237 234 L C -0.213 176.653 176.870 -0.007 0.000 1.113 234 L CA 2.346 57.186 54.840 0.000 0.000 0.837 234 L CB -2.908 39.151 42.059 0.000 0.000 0.929 234 L HN 0.207 nan 8.230 nan 0.000 0.449 235 P HA -0.144 nan 4.420 nan 0.000 0.215 235 P C 1.829 179.110 177.300 -0.032 0.000 1.157 235 P CA 1.768 64.856 63.100 -0.020 0.000 0.868 235 P CB -0.043 31.645 31.700 -0.019 0.000 0.788 236 V N 0.036 119.931 119.914 -0.033 0.000 2.548 236 V HA -0.156 3.964 4.120 -0.000 0.000 0.249 236 V C 2.834 178.900 176.094 -0.046 0.000 1.055 236 V CA 1.256 63.525 62.300 -0.051 0.000 1.065 236 V CB -1.145 30.652 31.823 -0.042 0.000 0.681 236 V HN 0.003 nan 8.190 nan 0.000 0.462 237 L N -0.215 120.997 121.223 -0.020 0.000 2.141 237 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 237 L C 2.498 179.363 176.870 -0.007 0.000 1.094 237 L CA 1.446 56.283 54.840 -0.004 0.000 0.763 237 L CB -0.445 41.620 42.059 0.011 0.000 0.908 237 L HN 0.417 nan 8.230 nan 0.000 0.437 238 E N -0.045 120.146 120.200 -0.016 0.000 2.216 238 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 238 E C 2.256 178.840 176.600 -0.027 0.000 0.988 238 E CA 0.809 57.201 56.400 -0.014 0.000 0.834 238 E CB -0.027 29.665 29.700 -0.013 0.000 0.772 238 E HN 0.462 nan 8.360 nan 0.000 0.479 239 A N 0.997 123.785 122.820 -0.054 0.000 1.968 239 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 239 A C 2.369 179.889 177.584 -0.105 0.000 1.169 239 A CA 0.769 52.752 52.037 -0.090 0.000 0.638 239 A CB -0.218 18.702 19.000 -0.134 0.000 0.812 239 A HN 0.100 nan 8.150 nan 0.000 0.446 240 V N -0.509 119.356 119.914 -0.082 0.000 2.788 240 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 240 V C 2.915 179.040 176.094 0.052 0.000 1.068 240 V CA 1.320 63.611 62.300 -0.015 0.000 1.090 240 V CB -0.711 31.127 31.823 0.024 0.000 0.710 240 V HN 0.579 nan 8.190 nan 0.000 0.467 241 A N 0.015 122.851 122.820 0.026 0.000 1.902 241 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 241 A C 1.554 179.161 177.584 0.037 0.000 1.181 241 A CA 1.171 53.228 52.037 0.033 0.000 0.623 241 A CB -0.226 18.785 19.000 0.019 0.000 0.818 241 A HN 0.538 nan 8.150 nan 0.000 0.443 242 K N -2.627 117.788 120.400 0.025 0.000 2.136 242 K HA 0.426 4.746 4.320 -0.000 0.000 0.237 242 K C 1.202 177.839 176.600 0.061 0.000 1.048 242 K CA 0.158 56.462 56.287 0.029 0.000 0.880 242 K CB 0.084 32.590 32.500 0.010 0.000 1.105 242 K HN 0.682 nan 8.250 nan 0.000 0.507 243 A N -0.008 122.855 122.820 0.071 0.000 3.292 243 A HA -0.253 4.067 4.320 -0.000 0.000 0.241 243 A C 1.276 178.931 177.584 0.117 0.000 0.569 243 A CA 2.089 54.201 52.037 0.124 0.000 1.149 243 A CB -2.470 16.666 19.000 0.228 0.000 1.321 243 A HN 1.573 nan 8.150 nan 0.000 0.679 244 G N -0.869 107.994 108.800 0.106 0.000 2.314 244 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.292 244 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.292 244 G C -0.183 174.767 174.900 0.082 0.000 1.059 244 G CA 1.455 46.603 45.100 0.080 0.000 0.982 244 G HN 1.186 nan 8.290 nan 0.000 0.505 245 K N 0.287 120.768 120.400 0.135 0.000 2.340 245 K HA 0.605 4.925 4.320 -0.000 0.000 0.244 245 K C -2.188 174.480 176.600 0.113 0.000 0.973 245 K CA -2.073 54.263 56.287 0.082 0.000 0.828 245 K CB 2.794 35.286 32.500 -0.013 0.000 1.226 245 K HN 0.090 nan 8.250 nan 0.000 0.437 246 P HA 0.172 nan 4.420 nan 0.000 0.275 246 P C -1.203 176.157 177.300 0.101 0.000 1.266 246 P CA -0.505 62.632 63.100 0.061 0.000 0.793 246 P CB 0.673 32.386 31.700 0.022 0.000 1.074 247 L N 0.276 121.546 121.223 0.078 0.000 2.422 247 L HA 0.582 4.921 4.340 -0.000 0.000 0.264 247 L C -1.674 175.208 176.870 0.021 0.000 0.984 247 L CA -0.961 53.934 54.840 0.091 0.000 0.819 247 L CB 1.887 44.004 42.059 0.096 0.000 1.330 247 L HN 0.166 nan 8.230 nan 0.000 0.410 248 L N 5.779 127.020 121.223 0.029 0.000 2.319 248 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 248 L C -1.308 175.568 176.870 0.010 0.000 1.005 248 L CA -0.269 54.566 54.840 -0.009 0.000 0.828 248 L CB 1.238 43.305 42.059 0.014 0.000 1.227 248 L HN 0.443 nan 8.230 nan 0.000 0.415 249 I N 6.864 127.421 120.570 -0.022 0.000 2.315 249 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 249 I C -0.125 176.008 176.117 0.027 0.000 1.006 249 I CA -0.201 61.102 61.300 0.005 0.000 1.265 249 I CB 1.041 39.041 38.000 -0.000 0.000 1.387 249 I HN 0.564 nan 8.210 nan 0.000 0.475 250 I N 6.005 126.599 120.570 0.041 0.000 2.405 250 I HA 0.558 4.728 4.170 -0.000 0.000 0.280 250 I C 0.195 176.327 176.117 0.024 0.000 1.027 250 I CA -0.223 61.109 61.300 0.053 0.000 1.161 250 I CB 1.386 39.416 38.000 0.050 0.000 1.300 250 I HN 0.669 nan 8.210 nan 0.000 0.463 251 A N 4.320 127.161 122.820 0.035 0.000 2.483 251 A HA 0.453 4.773 4.320 -0.000 0.000 0.286 251 A C 0.849 178.453 177.584 0.033 0.000 1.207 251 A CA -0.534 51.519 52.037 0.026 0.000 0.764 251 A CB 1.394 20.413 19.000 0.032 0.000 1.341 251 A HN 0.702 nan 8.150 nan 0.000 0.428 252 E N -0.601 119.616 120.200 0.029 0.000 2.209 252 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 252 E C -0.305 176.327 176.600 0.052 0.000 0.993 252 E CA 1.562 57.984 56.400 0.038 0.000 0.819 252 E CB 0.161 29.882 29.700 0.036 0.000 0.745 252 E HN 0.567 nan 8.360 nan 0.000 0.477 253 D N -2.131 118.301 120.400 0.054 0.000 2.926 253 D HA 0.079 4.719 4.640 -0.000 0.000 0.272 253 D C -1.891 174.449 176.300 0.067 0.000 1.172 253 D CA -0.436 53.603 54.000 0.065 0.000 0.731 253 D CB 1.581 42.417 40.800 0.060 0.000 1.282 253 D HN -0.144 nan 8.370 nan 0.000 0.430 254 V N 2.407 122.371 119.914 0.084 0.000 2.447 254 V HA 0.424 4.543 4.120 -0.000 0.000 0.292 254 V C -0.076 176.072 176.094 0.091 0.000 1.021 254 V CA -0.548 61.806 62.300 0.090 0.000 0.850 254 V CB 1.566 33.459 31.823 0.116 0.000 1.005 254 V HN 0.388 nan 8.190 nan 0.000 0.426 255 E N 2.229 122.471 120.200 0.070 0.000 2.281 255 E HA 0.681 5.031 4.350 -0.000 0.000 0.257 255 E C 1.152 177.782 176.600 0.050 0.000 0.971 255 E CA -0.168 56.268 56.400 0.059 0.000 0.839 255 E CB 1.643 31.370 29.700 0.046 0.000 1.238 255 E HN 0.727 nan 8.360 nan 0.000 0.412 256 G N 1.332 110.155 108.800 0.039 0.000 2.808 256 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.470 256 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.470 256 G C 1.172 176.085 174.900 0.023 0.000 1.041 256 G CA 1.239 46.354 45.100 0.026 0.000 0.839 256 G HN 0.746 nan 8.290 nan 0.000 0.825 257 E N 0.825 121.035 120.200 0.017 0.000 2.095 257 E HA -0.292 4.058 4.350 -0.000 0.000 0.212 257 E C 2.948 179.561 176.600 0.021 0.000 1.044 257 E CA 2.623 59.031 56.400 0.013 0.000 0.857 257 E CB -0.677 29.030 29.700 0.012 0.000 0.764 257 E HN 0.708 nan 8.360 nan 0.000 0.462 258 A N 1.132 123.971 122.820 0.033 0.000 1.865 258 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 258 A C 2.274 179.900 177.584 0.069 0.000 1.191 258 A CA 1.835 53.901 52.037 0.047 0.000 0.623 258 A CB -0.913 18.117 19.000 0.051 0.000 0.826 258 A HN 0.382 nan 8.150 nan 0.000 0.444 259 L N -0.272 120.998 121.223 0.078 0.000 1.989 259 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 259 L C 2.741 179.641 176.870 0.051 0.000 1.071 259 L CA 2.338 57.244 54.840 0.110 0.000 0.749 259 L CB -1.007 41.116 42.059 0.107 0.000 0.890 259 L HN 0.400 nan 8.230 nan 0.000 0.431 260 A N -1.272 121.554 122.820 0.010 0.000 1.869 260 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 260 A C 2.281 179.841 177.584 -0.041 0.000 1.203 260 A CA 2.985 54.998 52.037 -0.039 0.000 0.638 260 A CB -1.511 17.470 19.000 -0.031 0.000 0.831 260 A HN 0.543 nan 8.150 nan 0.000 0.450 261 T N 0.527 115.077 114.554 -0.006 0.000 2.699 261 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 261 T C 1.821 176.535 174.700 0.024 0.000 1.036 261 T CA 1.604 63.705 62.100 0.002 0.000 1.147 261 T CB -0.471 68.407 68.868 0.017 0.000 0.862 261 T HN 0.366 nan 8.240 nan 0.000 0.446 262 L N 0.631 121.898 121.223 0.074 0.000 2.017 262 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 262 L C 2.728 179.675 176.870 0.129 0.000 1.073 262 L CA 0.997 55.934 54.840 0.162 0.000 0.745 262 L CB -0.820 41.416 42.059 0.295 0.000 0.894 262 L HN 0.153 nan 8.230 nan 0.000 0.432 263 V N -0.600 119.285 119.914 -0.049 0.000 2.324 263 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 263 V C 2.388 178.358 176.094 -0.207 0.000 1.060 263 V CA 1.674 63.785 62.300 -0.315 0.000 1.042 263 V CB -0.447 31.125 31.823 -0.417 0.000 0.650 263 V HN 0.185 nan 8.190 nan 0.000 0.450 264 V N 0.332 120.159 119.914 -0.145 0.000 2.221 264 V HA -0.277 3.842 4.120 -0.000 0.000 0.242 264 V C 2.155 178.221 176.094 -0.046 0.000 1.041 264 V CA 2.547 64.779 62.300 -0.114 0.000 0.995 264 V CB -0.955 30.813 31.823 -0.092 0.000 0.635 264 V HN 0.605 nan 8.190 nan 0.000 0.448 265 N N 0.378 119.074 118.700 -0.008 0.000 2.069 265 N HA -0.266 4.474 4.740 -0.000 0.000 0.196 265 N C 1.817 177.351 175.510 0.039 0.000 1.024 265 N CA 2.166 55.227 53.050 0.019 0.000 0.869 265 N CB -0.346 38.162 38.487 0.035 0.000 1.035 265 N HN 0.722 nan 8.380 nan 0.000 0.434 266 T N -1.099 113.501 114.554 0.076 0.000 2.962 266 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 266 T C 1.510 176.253 174.700 0.072 0.000 1.088 266 T CA 0.747 62.911 62.100 0.108 0.000 1.127 266 T CB -0.106 68.896 68.868 0.223 0.000 0.883 266 T HN 0.171 nan 8.240 nan 0.000 0.493 267 M N 0.450 120.066 119.600 0.026 0.000 2.581 267 M HA 0.332 4.812 4.480 -0.000 0.000 0.224 267 M C 1.049 177.348 176.300 -0.001 0.000 1.171 267 M CA 0.084 55.385 55.300 0.003 0.000 0.993 267 M CB -0.013 32.551 32.600 -0.060 0.000 1.685 267 M HN 0.080 nan 8.290 nan 0.000 0.479 268 R N -1.500 119.005 120.500 0.009 0.000 2.569 268 R HA 0.246 4.585 4.340 -0.000 0.000 0.422 268 R C 0.898 177.207 176.300 0.014 0.000 0.980 268 R CA 0.423 56.526 56.100 0.006 0.000 1.164 268 R CB 0.800 31.099 30.300 -0.002 0.000 1.520 268 R HN 0.471 nan 8.270 nan 0.000 0.567 269 G N 1.688 110.502 108.800 0.024 0.000 2.196 269 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.268 269 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.268 269 G C 0.420 175.337 174.900 0.028 0.000 0.975 269 G CA 0.339 45.455 45.100 0.027 0.000 0.648 269 G HN 0.342 nan 8.290 nan 0.000 0.538 270 I N 1.368 121.954 120.570 0.028 0.000 2.397 270 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 270 I C 0.588 176.729 176.117 0.040 0.000 1.125 270 I CA -0.286 61.031 61.300 0.028 0.000 1.961 270 I CB -0.346 37.667 38.000 0.021 0.000 1.508 270 I HN 0.116 nan 8.210 nan 0.000 0.886 271 V N 2.693 122.633 119.914 0.044 0.000 3.301 271 V HA -0.190 3.930 4.120 -0.000 0.000 0.474 271 V C -0.030 176.105 176.094 0.067 0.000 0.682 271 V CA -0.065 62.268 62.300 0.054 0.000 2.015 271 V CB -0.912 30.943 31.823 0.053 0.000 2.470 271 V HN 0.634 nan 8.190 nan 0.000 0.499 272 K N 4.270 124.709 120.400 0.066 0.000 2.310 272 K HA 0.667 4.987 4.320 -0.000 0.000 0.290 272 K C -0.299 176.341 176.600 0.067 0.000 1.077 272 K CA -0.032 56.300 56.287 0.075 0.000 0.922 272 K CB 1.277 33.812 32.500 0.058 0.000 1.057 272 K HN 0.554 nan 8.250 nan 0.000 0.479 273 V N 1.116 121.081 119.914 0.085 0.000 3.001 273 V HA 0.890 5.009 4.120 -0.000 0.000 0.314 273 V C -0.838 175.150 176.094 -0.176 0.000 1.099 273 V CA -1.149 61.157 62.300 0.009 0.000 0.989 273 V CB 2.140 33.995 31.823 0.053 0.000 1.040 273 V HN 0.730 nan 8.190 nan 0.000 0.434 274 A N 1.809 124.368 122.820 -0.435 0.000 2.517 274 A HA 0.960 5.280 4.320 -0.000 0.000 0.297 274 A C -0.806 176.370 177.584 -0.681 0.000 1.050 274 A CA -0.080 51.339 52.037 -1.030 0.000 0.694 274 A CB 1.767 20.458 19.000 -0.515 0.000 1.277 274 A HN 1.665 nan 8.150 nan 0.000 0.400 275 A N 1.083 123.428 122.820 -0.790 0.000 2.386 275 A HA 0.890 5.210 4.320 -0.000 0.000 0.311 275 A C -0.348 177.215 177.584 -0.034 0.000 1.068 275 A CA -0.102 51.806 52.037 -0.215 0.000 0.743 275 A CB 1.347 20.321 19.000 -0.043 0.000 1.258 275 A HN 2.330 nan 8.150 nan 0.000 0.429 276 V N -0.705 119.236 119.914 0.045 0.000 3.049 276 V HA 0.622 4.742 4.120 -0.000 0.000 0.309 276 V C -0.542 175.635 176.094 0.138 0.000 1.148 276 V CA -1.242 61.127 62.300 0.114 0.000 0.990 276 V CB 1.568 33.468 31.823 0.128 0.000 1.039 276 V HN 0.856 nan 8.190 nan 0.000 0.430 277 K N 2.046 122.532 120.400 0.143 0.000 2.295 277 K HA 0.634 4.954 4.320 -0.000 0.000 0.270 277 K C 0.501 177.180 176.600 0.130 0.000 1.011 277 K CA 0.331 56.690 56.287 0.120 0.000 0.953 277 K CB 1.261 33.826 32.500 0.109 0.000 0.956 277 K HN 1.130 nan 8.250 nan 0.000 0.477 278 A N 4.330 127.178 122.820 0.047 0.000 2.425 278 A HA 0.195 4.515 4.320 -0.000 0.000 0.242 278 A C -2.017 175.541 177.584 -0.043 0.000 1.077 278 A CA -1.017 50.982 52.037 -0.065 0.000 0.781 278 A CB -0.363 18.593 19.000 -0.074 0.000 1.020 278 A HN 0.481 nan 8.150 nan 0.000 0.494 279 P HA 0.389 nan 4.420 nan 0.000 0.274 279 P C 0.682 177.988 177.300 0.009 0.000 1.231 279 P CA 1.349 64.427 63.100 -0.036 0.000 0.790 279 P CB 0.626 32.226 31.700 -0.166 0.000 0.951 280 G N 1.678 110.537 108.800 0.099 0.000 2.697 280 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.240 280 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.240 280 G C -0.672 174.374 174.900 0.244 0.000 1.346 280 G CA 0.173 45.369 45.100 0.159 0.000 0.887 280 G HN 0.759 nan 8.290 nan 0.000 0.569 281 F N -2.715 117.245 119.950 0.017 0.000 2.824 281 F HA 0.833 5.360 4.527 -0.000 0.000 0.330 281 F C 1.140 176.950 175.800 0.016 0.000 1.175 281 F CA 0.219 58.229 58.000 0.016 0.000 0.974 281 F CB 0.669 39.683 39.000 0.024 0.000 1.430 281 F HN 2.447 nan 8.300 nan 0.000 0.507 282 G N 1.124 109.882 108.800 -0.070 0.000 2.594 282 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.297 282 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.297 282 G C 0.342 175.139 174.900 -0.171 0.000 1.273 282 G CA 0.782 45.768 45.100 -0.191 0.000 0.974 282 G HN 0.893 nan 8.290 nan 0.000 0.552 283 D N 0.621 120.910 120.400 -0.185 0.000 2.078 283 D HA -0.102 4.538 4.640 -0.000 0.000 0.193 283 D C 2.442 178.662 176.300 -0.135 0.000 0.990 283 D CA 1.637 55.563 54.000 -0.124 0.000 0.827 283 D CB -0.360 40.381 40.800 -0.099 0.000 0.975 283 D HN 0.665 nan 8.370 nan 0.000 0.451 284 R N 1.430 121.822 120.500 -0.181 0.000 2.261 284 R HA -0.120 4.220 4.340 -0.000 0.000 0.236 284 R C 2.062 178.285 176.300 -0.128 0.000 1.141 284 R CA 1.097 57.108 56.100 -0.149 0.000 1.001 284 R CB -0.234 29.968 30.300 -0.164 0.000 0.866 284 R HN 0.086 nan 8.270 nan 0.000 0.468 285 R N 1.116 121.538 120.500 -0.131 0.000 2.090 285 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 285 R C 1.291 177.543 176.300 -0.080 0.000 1.110 285 R CA 1.487 57.537 56.100 -0.084 0.000 0.973 285 R CB 0.007 30.284 30.300 -0.039 0.000 0.869 285 R HN 0.304 nan 8.270 nan 0.000 0.440 286 K N 0.013 120.369 120.400 -0.073 0.000 2.217 286 K HA 0.014 4.334 4.320 -0.000 0.000 0.202 286 K C 2.039 178.600 176.600 -0.065 0.000 1.051 286 K CA 0.967 57.218 56.287 -0.060 0.000 0.952 286 K CB 0.054 32.526 32.500 -0.048 0.000 0.736 286 K HN 0.192 nan 8.250 nan 0.000 0.453 287 A N 1.621 124.398 122.820 -0.073 0.000 1.872 287 A HA -0.099 4.220 4.320 -0.000 0.000 0.214 287 A C 2.152 179.691 177.584 -0.076 0.000 1.187 287 A CA 1.208 53.204 52.037 -0.069 0.000 0.614 287 A CB -0.383 18.575 19.000 -0.071 0.000 0.826 287 A HN 0.134 nan 8.150 nan 0.000 0.442 288 M N -0.688 118.855 119.600 -0.094 0.000 2.229 288 M HA -0.031 4.448 4.480 -0.000 0.000 0.264 288 M C 2.103 178.319 176.300 -0.140 0.000 1.063 288 M CA 1.037 56.267 55.300 -0.117 0.000 1.114 288 M CB -0.413 32.102 32.600 -0.142 0.000 1.387 288 M HN 0.368 nan 8.290 nan 0.000 0.420 289 L N 0.090 121.235 121.223 -0.129 0.000 2.083 289 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 289 L C 2.672 179.491 176.870 -0.085 0.000 1.083 289 L CA 1.302 56.069 54.840 -0.123 0.000 0.752 289 L CB -0.340 41.665 42.059 -0.090 0.000 0.899 289 L HN 0.332 nan 8.230 nan 0.000 0.433 290 Q N 0.192 119.951 119.800 -0.068 0.000 2.083 290 Q HA -0.203 4.137 4.340 -0.000 0.000 0.198 290 Q C 1.635 177.607 176.000 -0.046 0.000 0.969 290 Q CA 1.784 57.558 55.803 -0.048 0.000 0.838 290 Q CB -0.129 28.584 28.738 -0.041 0.000 0.900 290 Q HN 0.367 nan 8.270 nan 0.000 0.436 291 D N 0.065 120.431 120.400 -0.056 0.000 2.106 291 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 291 D C 1.868 178.145 176.300 -0.038 0.000 0.997 291 D CA 1.717 55.690 54.000 -0.046 0.000 0.834 291 D CB -0.299 40.468 40.800 -0.054 0.000 0.956 291 D HN 0.385 nan 8.370 nan 0.000 0.448 292 I N 0.941 121.475 120.570 -0.060 0.000 2.226 292 I HA -0.274 3.895 4.170 -0.000 0.000 0.245 292 I C 2.496 178.604 176.117 -0.015 0.000 1.100 292 I CA 1.042 62.318 61.300 -0.039 0.000 1.374 292 I CB -0.364 37.584 38.000 -0.086 0.000 1.057 292 I HN -0.061 nan 8.210 nan 0.000 0.413 293 A N 0.870 123.676 122.820 -0.023 0.000 1.859 293 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 293 A C 2.416 180.000 177.584 -0.001 0.000 1.198 293 A CA 2.816 54.848 52.037 -0.008 0.000 0.629 293 A CB -1.307 17.685 19.000 -0.014 0.000 0.830 293 A HN 0.395 nan 8.150 nan 0.000 0.446 294 T N 0.576 115.126 114.554 -0.007 0.000 2.635 294 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 294 T C 1.865 176.566 174.700 0.003 0.000 1.040 294 T CA 1.465 63.562 62.100 -0.003 0.000 1.156 294 T CB -0.476 68.386 68.868 -0.009 0.000 0.863 294 T HN 0.351 nan 8.240 nan 0.000 0.430 295 L N 1.786 123.011 121.223 0.003 0.000 2.042 295 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 295 L C 2.233 179.112 176.870 0.015 0.000 1.076 295 L CA 2.535 57.381 54.840 0.010 0.000 0.749 295 L CB -1.405 40.663 42.059 0.015 0.000 0.893 295 L HN 0.500 nan 8.230 nan 0.000 0.432 296 T N -3.724 110.842 114.554 0.020 0.000 3.122 296 T HA 0.280 4.630 4.350 -0.000 0.000 0.250 296 T C 1.244 175.963 174.700 0.031 0.000 1.067 296 T CA 0.322 62.438 62.100 0.027 0.000 0.966 296 T CB -0.264 68.627 68.868 0.038 0.000 1.002 296 T HN 0.597 nan 8.240 nan 0.000 0.542 297 G N 0.488 109.302 108.800 0.024 0.000 2.305 297 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.287 297 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.287 297 G C 0.388 175.309 174.900 0.035 0.000 1.036 297 G CA -0.058 45.058 45.100 0.026 0.000 0.887 297 G HN 1.042 nan 8.290 nan 0.000 0.505 298 G N -1.808 107.011 108.800 0.031 0.000 2.753 298 G HA2 0.818 4.778 3.960 -0.000 0.000 0.285 298 G HA3 0.818 4.778 3.960 -0.000 0.000 0.285 298 G C -0.479 174.430 174.900 0.016 0.000 1.344 298 G CA 0.181 45.301 45.100 0.034 0.000 1.050 298 G HN 0.717 nan 8.290 nan 0.000 0.532 299 T N -0.029 114.532 114.554 0.010 0.000 2.879 299 T HA 0.428 4.778 4.350 -0.000 0.000 0.290 299 T C -0.329 174.368 174.700 -0.004 0.000 0.993 299 T CA -0.307 61.794 62.100 0.000 0.000 0.975 299 T CB 1.766 70.632 68.868 -0.002 0.000 0.981 299 T HN 0.365 nan 8.240 nan 0.000 0.439 300 V N 4.347 124.255 119.914 -0.010 0.000 2.508 300 V HA 0.263 4.382 4.120 -0.000 0.000 0.281 300 V C 0.418 176.505 176.094 -0.011 0.000 1.041 300 V CA -0.308 61.984 62.300 -0.014 0.000 1.016 300 V CB 0.315 32.126 31.823 -0.021 0.000 0.984 300 V HN 0.789 nan 8.190 nan 0.000 0.478 301 I N 5.345 125.909 120.570 -0.010 0.000 2.268 301 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 301 I C 0.533 176.646 176.117 -0.007 0.000 1.125 301 I CA 0.114 61.409 61.300 -0.008 0.000 1.236 301 I CB 0.487 38.482 38.000 -0.007 0.000 1.469 301 I HN 0.713 nan 8.210 nan 0.000 0.512 302 S N 2.816 118.511 115.700 -0.008 0.000 2.480 302 S HA 0.333 4.803 4.470 -0.000 0.000 0.286 302 S C 0.746 175.343 174.600 -0.005 0.000 1.180 302 S CA -0.798 57.398 58.200 -0.007 0.000 1.075 302 S CB 1.981 65.175 63.200 -0.010 0.000 0.996 302 S HN 0.542 nan 8.310 nan 0.000 0.487 303 E N 2.122 122.321 120.200 -0.002 0.000 2.110 303 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 303 E C 1.589 178.188 176.600 -0.001 0.000 0.988 303 E CA 1.367 57.767 56.400 -0.001 0.000 0.804 303 E CB -0.128 29.573 29.700 0.002 0.000 0.745 303 E HN 0.830 nan 8.360 nan 0.000 0.458 304 E N 0.931 121.129 120.200 -0.002 0.000 2.055 304 E HA -0.242 4.108 4.350 -0.000 0.000 0.209 304 E C 2.023 178.620 176.600 -0.004 0.000 1.036 304 E CA 1.395 57.793 56.400 -0.003 0.000 0.849 304 E CB -0.321 29.376 29.700 -0.005 0.000 0.767 304 E HN 0.309 nan 8.360 nan 0.000 0.461 305 I N 0.078 120.645 120.570 -0.005 0.000 3.010 305 I HA -0.109 4.061 4.170 -0.000 0.000 0.271 305 I C 1.301 177.416 176.117 -0.005 0.000 1.293 305 I CA 0.795 62.092 61.300 -0.006 0.000 1.452 305 I CB -0.602 37.394 38.000 -0.007 0.000 1.082 305 I HN 0.381 nan 8.210 nan 0.000 0.484 306 G N 1.253 110.051 108.800 -0.004 0.000 2.142 306 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.225 306 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.225 306 G C 0.153 175.051 174.900 -0.004 0.000 1.015 306 G CA -0.301 44.797 45.100 -0.003 0.000 0.716 306 G HN 0.261 nan 8.290 nan 0.000 0.508 307 M N -0.030 119.567 119.600 -0.004 0.000 2.288 307 M HA 0.542 5.022 4.480 -0.000 0.000 0.334 307 M C 0.364 176.661 176.300 -0.004 0.000 1.150 307 M CA 0.071 55.368 55.300 -0.005 0.000 1.118 307 M CB 1.032 33.628 32.600 -0.007 0.000 1.501 307 M HN 0.225 nan 8.290 nan 0.000 0.462 308 E N 1.315 121.511 120.200 -0.006 0.000 2.248 308 E HA 0.280 4.629 4.350 -0.000 0.000 0.267 308 E C 0.145 176.741 176.600 -0.007 0.000 0.877 308 E CA -0.460 55.937 56.400 -0.005 0.000 0.759 308 E CB 2.226 31.923 29.700 -0.004 0.000 1.182 308 E HN 0.645 nan 8.360 nan 0.000 0.418 309 L N 1.824 123.044 121.223 -0.005 0.000 2.191 309 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 309 L C 1.613 178.476 176.870 -0.011 0.000 1.103 309 L CA 1.283 56.119 54.840 -0.007 0.000 0.769 309 L CB -0.156 41.902 42.059 -0.002 0.000 0.908 309 L HN 0.580 nan 8.230 nan 0.000 0.438 310 E N 0.140 120.334 120.200 -0.008 0.000 2.110 310 E HA -0.162 4.187 4.350 -0.000 0.000 0.193 310 E C 1.540 178.131 176.600 -0.015 0.000 0.988 310 E CA 0.930 57.324 56.400 -0.010 0.000 0.804 310 E CB 0.018 29.714 29.700 -0.007 0.000 0.745 310 E HN 0.283 nan 8.360 nan 0.000 0.458 311 K N 0.355 120.746 120.400 -0.014 0.000 2.504 311 K HA 0.278 4.597 4.320 -0.000 0.000 0.199 311 K C -0.116 176.472 176.600 -0.021 0.000 1.028 311 K CA 0.019 56.296 56.287 -0.016 0.000 1.164 311 K CB 0.681 33.173 32.500 -0.013 0.000 0.877 311 K HN 0.001 nan 8.250 nan 0.000 0.508 312 A N 2.034 124.839 122.820 -0.025 0.000 2.320 312 A HA 0.264 4.584 4.320 -0.000 0.000 0.287 312 A C 0.464 178.018 177.584 -0.049 0.000 1.181 312 A CA -0.342 51.675 52.037 -0.033 0.000 0.831 312 A CB 0.224 19.205 19.000 -0.031 0.000 1.102 312 A HN 0.246 nan 8.150 nan 0.000 0.513 313 T N 0.387 114.907 114.554 -0.056 0.000 2.952 313 T HA 0.489 4.839 4.350 -0.000 0.000 0.286 313 T C 1.122 175.751 174.700 -0.117 0.000 1.024 313 T CA -0.787 61.267 62.100 -0.076 0.000 1.029 313 T CB 0.844 69.678 68.868 -0.057 0.000 1.094 313 T HN 0.386 nan 8.240 nan 0.000 0.515 314 L N 0.209 121.329 121.223 -0.172 0.000 2.197 314 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 314 L C 2.797 179.546 176.870 -0.202 0.000 1.095 314 L CA 1.762 56.420 54.840 -0.303 0.000 0.764 314 L CB -0.345 41.505 42.059 -0.349 0.000 0.897 314 L HN 0.902 nan 8.230 nan 0.000 0.436 315 E N -0.388 119.756 120.200 -0.094 0.000 2.285 315 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 315 E C 1.362 177.954 176.600 -0.015 0.000 0.997 315 E CA 0.613 56.995 56.400 -0.031 0.000 0.845 315 E CB 0.223 29.913 29.700 -0.015 0.000 0.782 315 E HN 0.466 nan 8.360 nan 0.000 0.491 316 D N 0.303 120.684 120.400 -0.033 0.000 2.224 316 D HA -0.074 4.565 4.640 -0.000 0.000 0.205 316 D C 0.287 176.587 176.300 0.000 0.000 0.965 316 D CA 0.366 54.356 54.000 -0.016 0.000 0.852 316 D CB 0.108 40.893 40.800 -0.025 0.000 0.947 316 D HN 0.143 nan 8.370 nan 0.000 0.494 317 L N 0.808 122.025 121.223 -0.009 0.000 2.461 317 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 317 L C 1.434 178.380 176.870 0.127 0.000 1.197 317 L CA 0.220 55.088 54.840 0.047 0.000 0.836 317 L CB 0.568 42.625 42.059 -0.004 0.000 1.105 317 L HN -0.154 nan 8.230 nan 0.000 0.477 318 G N 1.388 110.268 108.800 0.133 0.000 2.557 318 G HA2 0.552 4.512 3.960 -0.000 0.000 0.292 318 G HA3 0.552 4.512 3.960 -0.000 0.000 0.292 318 G C -1.066 173.924 174.900 0.151 0.000 1.237 318 G CA -0.232 44.937 45.100 0.115 0.000 0.978 318 G HN 0.571 nan 8.290 nan 0.000 0.498 319 Q N -1.707 118.137 119.800 0.074 0.000 2.386 319 Q HA 0.565 4.905 4.340 -0.000 0.000 0.274 319 Q C -1.377 174.608 176.000 -0.024 0.000 1.011 319 Q CA -0.695 55.109 55.803 0.001 0.000 0.867 319 Q CB 2.125 30.849 28.738 -0.024 0.000 1.409 319 Q HN 1.067 nan 8.270 nan 0.000 0.395 320 A N 2.257 125.043 122.820 -0.057 0.000 2.594 320 A HA 0.407 4.727 4.320 -0.000 0.000 0.295 320 A C -0.519 177.027 177.584 -0.063 0.000 1.071 320 A CA -0.630 51.382 52.037 -0.041 0.000 0.685 320 A CB 1.570 20.562 19.000 -0.013 0.000 1.285 320 A HN 0.822 nan 8.150 nan 0.000 0.405 321 K N -0.402 119.968 120.400 -0.049 0.000 2.211 321 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 321 K C 0.735 177.307 176.600 -0.047 0.000 1.047 321 K CA 1.557 57.813 56.287 -0.051 0.000 0.935 321 K CB 0.066 32.544 32.500 -0.036 0.000 0.728 321 K HN 0.555 nan 8.250 nan 0.000 0.452 322 R N -0.490 119.988 120.500 -0.037 0.000 2.664 322 R HA 0.168 4.508 4.340 -0.000 0.000 0.260 322 R C -2.058 174.228 176.300 -0.024 0.000 1.062 322 R CA -0.587 55.494 56.100 -0.030 0.000 0.902 322 R CB 1.638 31.923 30.300 -0.025 0.000 1.258 322 R HN -0.051 nan 8.270 nan 0.000 0.465 323 V N 0.174 120.074 119.914 -0.023 0.000 2.841 323 V HA 0.867 4.987 4.120 -0.000 0.000 0.310 323 V C -1.422 174.656 176.094 -0.026 0.000 1.090 323 V CA -0.643 61.642 62.300 -0.024 0.000 0.930 323 V CB 2.197 34.010 31.823 -0.017 0.000 1.014 323 V HN 0.438 nan 8.190 nan 0.000 0.425 324 V N 5.281 125.171 119.914 -0.040 0.000 2.577 324 V HA 0.599 4.719 4.120 -0.000 0.000 0.303 324 V C -0.411 175.653 176.094 -0.049 0.000 1.042 324 V CA -0.325 61.958 62.300 -0.029 0.000 0.872 324 V CB 1.741 33.548 31.823 -0.026 0.000 0.998 324 V HN 0.870 nan 8.190 nan 0.000 0.423 325 I N 4.324 124.890 120.570 -0.006 0.000 2.465 325 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 325 I C -0.058 176.089 176.117 0.050 0.000 1.014 325 I CA -0.494 60.802 61.300 -0.008 0.000 1.093 325 I CB 1.959 39.984 38.000 0.041 0.000 1.267 325 I HN 0.545 nan 8.210 nan 0.000 0.431 326 N N 4.042 122.700 118.700 -0.068 0.000 2.593 326 N HA 0.250 4.989 4.740 -0.000 0.000 0.304 326 N C 0.886 176.132 175.510 -0.441 0.000 1.296 326 N CA -0.496 52.497 53.050 -0.096 0.000 0.950 326 N CB 0.705 39.129 38.487 -0.105 0.000 1.127 326 N HN 0.508 nan 8.380 nan 0.000 0.587 327 K N -0.031 120.110 120.400 -0.432 0.000 2.155 327 K HA -0.092 4.227 4.320 -0.000 0.000 0.203 327 K C -0.473 175.808 176.600 -0.532 0.000 1.052 327 K CA 1.578 57.430 56.287 -0.725 0.000 0.948 327 K CB 0.072 32.436 32.500 -0.226 0.000 0.728 327 K HN 0.584 nan 8.250 nan 0.000 0.448 328 D N -1.169 119.052 120.400 -0.298 0.000 2.712 328 D HA 0.119 4.759 4.640 -0.000 0.000 0.300 328 D C -0.861 175.349 176.300 -0.151 0.000 1.521 328 D CA -0.456 53.432 54.000 -0.187 0.000 0.790 328 D CB 1.080 41.816 40.800 -0.106 0.000 1.155 328 D HN -0.170 nan 8.370 nan 0.000 0.456 329 T N -0.287 114.150 114.554 -0.195 0.000 2.993 329 T HA 0.560 4.910 4.350 -0.000 0.000 0.312 329 T C -1.220 173.303 174.700 -0.295 0.000 1.115 329 T CA -0.416 61.556 62.100 -0.213 0.000 1.027 329 T CB 2.112 70.891 68.868 -0.148 0.000 1.116 329 T HN -0.116 nan 8.240 nan 0.000 0.464 330 T N 2.309 116.553 114.554 -0.517 0.000 2.809 330 T HA 0.620 4.970 4.350 -0.000 0.000 0.284 330 T C -0.556 173.785 174.700 -0.599 0.000 0.992 330 T CA -0.490 61.241 62.100 -0.614 0.000 0.957 330 T CB 1.432 69.718 68.868 -0.970 0.000 0.942 330 T HN 0.610 nan 8.240 nan 0.000 0.439 331 T N 4.107 118.484 114.554 -0.296 0.000 2.847 331 T HA 0.599 4.948 4.350 -0.000 0.000 0.291 331 T C -0.443 174.209 174.700 -0.080 0.000 0.998 331 T CA -0.680 61.316 62.100 -0.172 0.000 0.967 331 T CB 0.009 68.806 68.868 -0.118 0.000 0.954 331 T HN 0.478 nan 8.240 nan 0.000 0.441 332 I N 6.297 126.858 120.570 -0.014 0.000 2.337 332 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 332 I C -0.044 176.080 176.117 0.011 0.000 1.046 332 I CA -0.591 60.722 61.300 0.022 0.000 1.324 332 I CB 0.908 38.957 38.000 0.082 0.000 1.409 332 I HN 0.561 nan 8.210 nan 0.000 0.494 333 I N 6.035 126.603 120.570 -0.004 0.000 2.321 333 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 333 I C -0.282 175.830 176.117 -0.008 0.000 0.998 333 I CA -0.358 60.938 61.300 -0.008 0.000 1.227 333 I CB 1.012 39.003 38.000 -0.015 0.000 1.368 333 I HN 0.594 nan 8.210 nan 0.000 0.466 334 D N 4.834 125.231 120.400 -0.005 0.000 3.437 334 D HA -0.109 4.530 4.640 -0.000 0.000 0.243 334 D C 0.186 176.482 176.300 -0.007 0.000 1.104 334 D CA 0.935 54.930 54.000 -0.007 0.000 1.009 334 D CB -0.215 40.577 40.800 -0.013 0.000 0.937 334 D HN 0.812 nan 8.370 nan 0.000 0.417 335 G N 0.540 109.341 108.800 0.001 0.000 2.539 335 G HA2 0.407 4.367 3.960 -0.000 0.000 0.258 335 G HA3 0.407 4.367 3.960 -0.000 0.000 0.258 335 G C 1.312 176.213 174.900 0.000 0.000 1.202 335 G CA -0.301 44.801 45.100 0.004 0.000 0.851 335 G HN 0.396 nan 8.290 nan 0.000 0.556 336 V N 1.350 121.265 119.914 0.002 0.000 3.235 336 V HA 0.109 4.228 4.120 -0.000 0.000 0.259 336 V C 2.075 178.174 176.094 0.009 0.000 1.133 336 V CA 0.678 62.980 62.300 0.003 0.000 1.128 336 V CB -0.844 30.982 31.823 0.006 0.000 0.757 336 V HN 0.837 nan 8.190 nan 0.000 0.469 337 G N 1.419 110.225 108.800 0.011 0.000 2.287 337 G HA2 0.031 3.991 3.960 -0.000 0.000 0.235 337 G HA3 0.031 3.991 3.960 -0.000 0.000 0.235 337 G C 0.026 174.929 174.900 0.006 0.000 1.258 337 G CA -0.155 44.951 45.100 0.010 0.000 0.884 337 G HN 0.302 nan 8.290 nan 0.000 0.518 338 E N 1.888 122.092 120.200 0.006 0.000 2.413 338 E HA -0.009 4.341 4.350 -0.000 0.000 0.263 338 E C 1.450 178.051 176.600 0.002 0.000 1.015 338 E CA -0.039 56.363 56.400 0.003 0.000 0.916 338 E CB 0.919 30.621 29.700 0.004 0.000 0.947 338 E HN 0.701 nan 8.360 nan 0.000 0.440 339 E N 1.854 122.054 120.200 0.001 0.000 2.130 339 E HA -0.258 4.091 4.350 -0.000 0.000 0.196 339 E C 1.732 178.331 176.600 -0.001 0.000 0.998 339 E CA 1.374 57.774 56.400 -0.001 0.000 0.806 339 E CB -0.025 29.674 29.700 -0.001 0.000 0.738 339 E HN 0.585 nan 8.360 nan 0.000 0.459 340 A N 1.873 124.692 122.820 -0.001 0.000 1.859 340 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 340 A C 2.449 180.032 177.584 -0.002 0.000 1.198 340 A CA 2.219 54.255 52.037 -0.001 0.000 0.629 340 A CB -0.877 18.122 19.000 -0.001 0.000 0.830 340 A HN 0.320 nan 8.150 nan 0.000 0.446 341 A N -0.169 122.650 122.820 -0.001 0.000 1.835 341 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 341 A C 2.155 179.737 177.584 -0.004 0.000 1.199 341 A CA 1.640 53.675 52.037 -0.002 0.000 0.615 341 A CB -0.813 18.186 19.000 -0.000 0.000 0.838 341 A HN 0.507 nan 8.150 nan 0.000 0.444 342 I N -0.708 119.861 120.570 -0.002 0.000 2.194 342 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 342 I C 2.743 178.857 176.117 -0.005 0.000 1.093 342 I CA 1.961 63.259 61.300 -0.003 0.000 1.355 342 I CB -0.272 37.727 38.000 -0.001 0.000 1.046 342 I HN 0.404 nan 8.210 nan 0.000 0.413 343 Q N 1.019 120.816 119.800 -0.004 0.000 2.297 343 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 343 Q C 1.942 177.938 176.000 -0.006 0.000 0.962 343 Q CA 1.573 57.373 55.803 -0.005 0.000 0.879 343 Q CB -0.342 28.393 28.738 -0.004 0.000 0.947 343 Q HN 0.468 nan 8.270 nan 0.000 0.462 344 G N -0.443 108.353 108.800 -0.006 0.000 2.494 344 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 344 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 344 G C 1.559 176.453 174.900 -0.010 0.000 1.140 344 G CA 0.454 45.550 45.100 -0.007 0.000 0.801 344 G HN 0.261 nan 8.290 nan 0.000 0.536 345 R N 0.497 120.990 120.500 -0.010 0.000 2.062 345 R HA 0.048 4.388 4.340 -0.000 0.000 0.229 345 R C 2.521 178.812 176.300 -0.015 0.000 1.128 345 R CA 1.298 57.390 56.100 -0.013 0.000 0.960 345 R CB -0.951 29.341 30.300 -0.014 0.000 0.855 345 R HN 0.153 nan 8.270 nan 0.000 0.432 346 V N 1.034 120.941 119.914 -0.012 0.000 2.332 346 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 346 V C 2.345 178.431 176.094 -0.013 0.000 1.055 346 V CA 1.982 64.275 62.300 -0.013 0.000 1.038 346 V CB -0.969 30.848 31.823 -0.010 0.000 0.651 346 V HN 0.543 nan 8.190 nan 0.000 0.450 347 A N -0.849 121.964 122.820 -0.011 0.000 1.902 347 A HA -0.295 4.024 4.320 -0.000 0.000 0.217 347 A C 2.159 179.735 177.584 -0.013 0.000 1.181 347 A CA 2.053 54.084 52.037 -0.011 0.000 0.623 347 A CB -0.461 18.534 19.000 -0.009 0.000 0.818 347 A HN 0.643 nan 8.150 nan 0.000 0.443 348 Q N -0.359 119.433 119.800 -0.014 0.000 1.948 348 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 348 Q C 2.121 178.110 176.000 -0.019 0.000 0.992 348 Q CA 1.809 57.603 55.803 -0.016 0.000 0.849 348 Q CB -0.458 28.270 28.738 -0.017 0.000 0.918 348 Q HN 0.729 nan 8.270 nan 0.000 0.421 349 I N 0.448 121.005 120.570 -0.022 0.000 2.185 349 I HA -0.346 3.823 4.170 -0.000 0.000 0.246 349 I C 2.623 178.725 176.117 -0.025 0.000 1.088 349 I CA 1.430 62.715 61.300 -0.027 0.000 1.347 349 I CB -0.395 37.587 38.000 -0.029 0.000 1.041 349 I HN 0.186 nan 8.210 nan 0.000 0.415 350 R N 0.597 121.084 120.500 -0.020 0.000 2.152 350 R HA -0.209 4.131 4.340 -0.000 0.000 0.232 350 R C 2.362 178.652 176.300 -0.017 0.000 1.117 350 R CA 1.362 57.451 56.100 -0.018 0.000 0.981 350 R CB -0.136 30.155 30.300 -0.015 0.000 0.870 350 R HN 0.451 nan 8.270 nan 0.000 0.451 351 Q N -0.102 119.688 119.800 -0.016 0.000 2.163 351 Q HA -0.123 4.216 4.340 -0.000 0.000 0.198 351 Q C 1.658 177.649 176.000 -0.015 0.000 0.954 351 Q CA 0.983 56.778 55.803 -0.014 0.000 0.851 351 Q CB 0.254 28.985 28.738 -0.012 0.000 0.928 351 Q HN 0.485 nan 8.270 nan 0.000 0.459 352 Q N 0.134 119.923 119.800 -0.019 0.000 2.291 352 Q HA -0.091 4.248 4.340 -0.000 0.000 0.206 352 Q C 1.888 177.875 176.000 -0.022 0.000 0.976 352 Q CA 0.844 56.634 55.803 -0.021 0.000 0.875 352 Q CB 0.063 28.785 28.738 -0.026 0.000 0.927 352 Q HN 0.467 nan 8.270 nan 0.000 0.450 353 I N 0.649 121.205 120.570 -0.023 0.000 2.676 353 I HA -0.198 3.972 4.170 -0.000 0.000 0.259 353 I C 1.856 177.963 176.117 -0.017 0.000 1.194 353 I CA 0.549 61.835 61.300 -0.024 0.000 1.473 353 I CB -0.090 37.895 38.000 -0.025 0.000 1.096 353 I HN 0.166 nan 8.210 nan 0.000 0.443 354 E N 1.260 121.451 120.200 -0.014 0.000 2.008 354 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 354 E C 1.869 178.464 176.600 -0.008 0.000 0.986 354 E CA 1.133 57.528 56.400 -0.010 0.000 0.807 354 E CB -0.492 29.203 29.700 -0.009 0.000 0.766 354 E HN 0.514 nan 8.360 nan 0.000 0.450 355 E N 1.376 121.571 120.200 -0.009 0.000 2.331 355 E HA -0.031 4.319 4.350 -0.000 0.000 0.199 355 E C 0.492 177.089 176.600 -0.006 0.000 1.008 355 E CA 0.379 56.774 56.400 -0.007 0.000 0.843 355 E CB -0.173 29.522 29.700 -0.008 0.000 0.761 355 E HN 0.125 nan 8.360 nan 0.000 0.507 356 A N 1.774 124.589 122.820 -0.008 0.000 2.573 356 A HA -0.025 4.295 4.320 -0.000 0.000 0.250 356 A C 1.118 178.703 177.584 0.002 0.000 1.049 356 A CA 0.764 52.797 52.037 -0.006 0.000 0.767 356 A CB -0.188 18.804 19.000 -0.013 0.000 0.965 356 A HN 0.246 nan 8.150 nan 0.000 0.514 357 T N -0.401 114.158 114.554 0.009 0.000 3.214 357 T HA 0.462 4.812 4.350 -0.000 0.000 0.264 357 T C 0.228 174.943 174.700 0.025 0.000 1.012 357 T CA 0.297 62.405 62.100 0.014 0.000 0.901 357 T CB -0.327 68.549 68.868 0.013 0.000 1.070 357 T HN 1.088 nan 8.240 nan 0.000 0.561 358 S N -0.328 115.392 115.700 0.033 0.000 2.562 358 S HA 0.313 4.783 4.470 -0.000 0.000 0.274 358 S C -0.127 174.510 174.600 0.061 0.000 1.160 358 S CA -0.592 57.642 58.200 0.057 0.000 0.933 358 S CB 1.468 64.721 63.200 0.088 0.000 1.100 358 S HN 0.056 nan 8.310 nan 0.000 0.468 359 D N 2.293 122.734 120.400 0.068 0.000 2.133 359 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 359 D C 1.338 177.683 176.300 0.076 0.000 0.997 359 D CA 1.705 55.741 54.000 0.060 0.000 0.840 359 D CB -0.224 40.613 40.800 0.062 0.000 0.947 359 D HN 0.727 nan 8.370 nan 0.000 0.452 360 Y N 2.032 122.334 120.300 0.003 0.000 2.114 360 Y HA -0.225 4.324 4.550 -0.000 0.000 0.284 360 Y C 1.705 177.604 175.900 -0.002 0.000 1.143 360 Y CA 1.975 60.077 58.100 0.004 0.000 1.135 360 Y CB -0.390 38.075 38.460 0.008 0.000 0.980 360 Y HN -0.149 nan 8.280 nan 0.000 0.499 361 D N -0.332 120.046 120.400 -0.037 0.000 2.123 361 D HA -0.185 4.454 4.640 -0.000 0.000 0.196 361 D C 2.279 178.494 176.300 -0.141 0.000 0.992 361 D CA 1.638 55.565 54.000 -0.122 0.000 0.833 361 D CB -0.339 40.464 40.800 0.004 0.000 0.954 361 D HN 0.306 nan 8.370 nan 0.000 0.455 362 R N 0.695 121.148 120.500 -0.078 0.000 2.073 362 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 362 R C 1.916 178.160 176.300 -0.093 0.000 1.134 362 R CA 1.389 57.450 56.100 -0.065 0.000 0.952 362 R CB 0.020 30.302 30.300 -0.030 0.000 0.850 362 R HN 0.268 nan 8.270 nan 0.000 0.433 363 E N 0.160 120.290 120.200 -0.117 0.000 2.051 363 E HA -0.201 4.148 4.350 -0.000 0.000 0.192 363 E C 2.010 178.514 176.600 -0.160 0.000 0.991 363 E CA 0.960 57.289 56.400 -0.119 0.000 0.799 363 E CB -0.003 29.632 29.700 -0.108 0.000 0.748 363 E HN 0.164 nan 8.360 nan 0.000 0.449 364 K N 0.885 121.120 120.400 -0.274 0.000 2.063 364 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 364 K C 2.257 178.767 176.600 -0.151 0.000 1.048 364 K CA 0.912 57.046 56.287 -0.255 0.000 0.928 364 K CB -0.506 31.766 32.500 -0.379 0.000 0.713 364 K HN 0.196 nan 8.250 nan 0.000 0.442 365 L N 0.775 121.919 121.223 -0.132 0.000 2.046 365 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 365 L C 2.633 179.463 176.870 -0.066 0.000 1.077 365 L CA 1.251 56.039 54.840 -0.087 0.000 0.747 365 L CB -0.374 41.642 42.059 -0.072 0.000 0.896 365 L HN 0.234 nan 8.230 nan 0.000 0.432 366 Q N -0.324 119.437 119.800 -0.065 0.000 2.135 366 Q HA -0.250 4.089 4.340 -0.000 0.000 0.204 366 Q C 2.133 178.109 176.000 -0.040 0.000 0.981 366 Q CA 1.574 57.349 55.803 -0.046 0.000 0.856 366 Q CB -0.017 28.696 28.738 -0.042 0.000 0.902 366 Q HN 0.484 nan 8.270 nan 0.000 0.425 367 E N 0.047 120.217 120.200 -0.050 0.000 2.051 367 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 367 E C 2.082 178.666 176.600 -0.027 0.000 0.991 367 E CA 0.850 57.229 56.400 -0.035 0.000 0.799 367 E CB 0.045 29.720 29.700 -0.042 0.000 0.748 367 E HN 0.268 nan 8.360 nan 0.000 0.449 368 R N 0.308 120.786 120.500 -0.037 0.000 2.070 368 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 368 R C 2.672 178.958 176.300 -0.023 0.000 1.137 368 R CA 1.723 57.804 56.100 -0.031 0.000 0.945 368 R CB -0.726 29.548 30.300 -0.044 0.000 0.845 368 R HN 0.202 nan 8.270 nan 0.000 0.430 369 V N -1.047 118.852 119.914 -0.026 0.000 2.392 369 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 369 V C 2.409 178.495 176.094 -0.013 0.000 1.059 369 V CA 1.795 64.083 62.300 -0.019 0.000 1.051 369 V CB -1.203 30.608 31.823 -0.020 0.000 0.658 369 V HN 0.278 nan 8.190 nan 0.000 0.455 370 A N 0.463 123.275 122.820 -0.013 0.000 1.940 370 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 370 A C 2.370 179.953 177.584 -0.002 0.000 1.176 370 A CA 2.307 54.339 52.037 -0.008 0.000 0.631 370 A CB -0.557 18.437 19.000 -0.009 0.000 0.814 370 A HN 0.622 nan 8.150 nan 0.000 0.446 371 K N -1.205 119.196 120.400 0.002 0.000 2.025 371 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 371 K C 1.907 178.514 176.600 0.012 0.000 1.049 371 K CA 1.162 57.457 56.287 0.013 0.000 0.933 371 K CB -0.320 32.195 32.500 0.026 0.000 0.714 371 K HN 0.316 nan 8.250 nan 0.000 0.438 372 L N 0.971 122.197 121.223 0.004 0.000 1.994 372 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 372 L C 2.280 179.150 176.870 0.001 0.000 1.071 372 L CA 1.905 56.746 54.840 0.002 0.000 0.745 372 L CB -0.858 41.197 42.059 -0.005 0.000 0.892 372 L HN 0.149 nan 8.230 nan 0.000 0.431 373 A N -1.116 121.703 122.820 -0.003 0.000 1.969 373 A HA -0.032 4.287 4.320 -0.000 0.000 0.218 373 A C 2.330 179.913 177.584 -0.002 0.000 1.169 373 A CA 1.398 53.433 52.037 -0.004 0.000 0.635 373 A CB -1.325 17.672 19.000 -0.006 0.000 0.810 373 A HN 0.487 nan 8.150 nan 0.000 0.445 374 G N -0.802 107.997 108.800 -0.001 0.000 2.421 374 G HA2 0.305 4.265 3.960 -0.000 0.000 0.216 374 G HA3 0.305 4.265 3.960 -0.000 0.000 0.216 374 G C 1.253 176.152 174.900 -0.001 0.000 1.171 374 G CA 0.961 46.060 45.100 -0.001 0.000 0.775 374 G HN 1.756 nan 8.290 nan 0.000 0.543 375 G N -1.913 106.888 108.800 0.002 0.000 2.693 375 G HA2 0.039 3.999 3.960 -0.000 0.000 0.226 375 G HA3 0.039 3.999 3.960 -0.000 0.000 0.226 375 G C -0.709 174.191 174.900 -0.000 0.000 1.354 375 G CA -0.261 44.840 45.100 0.002 0.000 0.873 375 G HN 1.105 nan 8.290 nan 0.000 0.562 376 V N 0.526 120.439 119.914 -0.003 0.000 2.623 376 V HA 0.715 4.835 4.120 -0.000 0.000 0.304 376 V C 0.782 176.870 176.094 -0.010 0.000 1.054 376 V CA -0.047 62.248 62.300 -0.008 0.000 0.882 376 V CB 1.241 33.059 31.823 -0.008 0.000 1.002 376 V HN 2.131 nan 8.190 nan 0.000 0.424 377 A N 4.559 127.372 122.820 -0.012 0.000 2.388 377 A HA 0.702 5.022 4.320 -0.000 0.000 0.257 377 A C -0.397 177.180 177.584 -0.013 0.000 1.095 377 A CA -0.187 51.843 52.037 -0.012 0.000 0.791 377 A CB 0.663 19.655 19.000 -0.013 0.000 1.029 377 A HN 0.795 nan 8.150 nan 0.000 0.489 378 V N 4.333 124.240 119.914 -0.011 0.000 2.443 378 V HA 0.311 4.430 4.120 -0.000 0.000 0.293 378 V C -0.316 175.772 176.094 -0.009 0.000 1.021 378 V CA -0.124 62.170 62.300 -0.011 0.000 0.848 378 V CB 1.241 33.058 31.823 -0.011 0.000 0.998 378 V HN 0.735 nan 8.190 nan 0.000 0.424 379 I N 4.986 125.551 120.570 -0.009 0.000 2.321 379 I HA 0.432 4.601 4.170 -0.000 0.000 0.291 379 I C 0.115 176.228 176.117 -0.006 0.000 0.998 379 I CA -0.487 60.809 61.300 -0.007 0.000 1.227 379 I CB 1.294 39.290 38.000 -0.006 0.000 1.368 379 I HN 0.460 nan 8.210 nan 0.000 0.466 380 K N 6.068 126.465 120.400 -0.005 0.000 2.316 380 K HA 0.438 4.757 4.320 -0.000 0.000 0.267 380 K C -0.931 175.667 176.600 -0.004 0.000 1.025 380 K CA -0.656 55.628 56.287 -0.005 0.000 0.896 380 K CB 2.116 34.612 32.500 -0.006 0.000 1.124 380 K HN 0.329 nan 8.250 nan 0.000 0.451 381 V N 2.906 122.818 119.914 -0.003 0.000 2.405 381 V HA 0.189 4.308 4.120 -0.000 0.000 0.264 381 V C 0.891 176.984 176.094 -0.002 0.000 1.048 381 V CA -0.603 61.696 62.300 -0.002 0.000 0.966 381 V CB 0.733 32.556 31.823 -0.001 0.000 1.015 381 V HN 0.874 nan 8.190 nan 0.000 0.477 382 G N 2.903 111.701 108.800 -0.002 0.000 2.477 382 G HA2 0.620 4.580 3.960 -0.000 0.000 0.304 382 G HA3 0.620 4.580 3.960 -0.000 0.000 0.304 382 G C 0.380 175.279 174.900 -0.002 0.000 1.175 382 G CA 0.188 45.287 45.100 -0.002 0.000 0.907 382 G HN 1.078 nan 8.290 nan 0.000 0.509 383 A N -0.989 121.830 122.820 -0.002 0.000 2.260 383 A HA 0.687 5.007 4.320 -0.000 0.000 0.153 383 A C 0.883 178.466 177.584 -0.002 0.000 1.906 383 A CA 1.180 53.215 52.037 -0.002 0.000 1.444 383 A CB -0.537 18.462 19.000 -0.001 0.000 1.615 383 A HN 2.694 nan 8.150 nan 0.000 0.356 384 A N 0.093 122.912 122.820 -0.002 0.000 2.009 384 A HA 0.513 4.832 4.320 -0.000 0.000 0.247 384 A C 0.872 178.455 177.584 -0.002 0.000 1.355 384 A CA 1.162 53.198 52.037 -0.002 0.000 0.696 384 A CB -2.471 16.528 19.000 -0.002 0.000 1.175 384 A HN 3.210 nan 8.150 nan 0.000 0.279 385 T N -1.334 113.219 114.554 -0.002 0.000 0.701 385 T HA -0.027 4.323 4.350 -0.000 0.000 0.759 385 T C 0.254 174.953 174.700 -0.002 0.000 0.989 385 T CA 1.260 63.359 62.100 -0.002 0.000 4.005 385 T CB -1.295 67.572 68.868 -0.002 0.000 2.266 385 T HN 1.948 nan 8.240 nan 0.000 0.398 386 E N 1.481 121.680 120.200 -0.002 0.000 2.147 386 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 386 E C 2.030 178.629 176.600 -0.001 0.000 1.005 386 E CA 2.395 58.795 56.400 -0.001 0.000 0.810 386 E CB -0.137 29.562 29.700 -0.001 0.000 0.736 386 E HN 0.685 nan 8.360 nan 0.000 0.460 387 V N 1.156 121.069 119.914 -0.001 0.000 2.237 387 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 387 V C 2.146 178.239 176.094 -0.001 0.000 1.046 387 V CA 2.372 64.671 62.300 -0.001 0.000 1.007 387 V CB -0.691 31.131 31.823 -0.001 0.000 0.638 387 V HN 0.314 nan 8.190 nan 0.000 0.445 388 E N -0.368 119.831 120.200 -0.001 0.000 2.118 388 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 388 E C 2.191 178.791 176.600 -0.001 0.000 0.992 388 E CA 1.495 57.895 56.400 -0.001 0.000 0.804 388 E CB -0.271 29.428 29.700 -0.001 0.000 0.741 388 E HN 0.438 nan 8.360 nan 0.000 0.458 389 M N 1.220 120.820 119.600 -0.001 0.000 2.067 389 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 389 M C 1.772 178.072 176.300 -0.000 0.000 1.069 389 M CA 1.630 56.929 55.300 -0.001 0.000 1.117 389 M CB -0.215 32.384 32.600 -0.001 0.000 1.334 389 M HN -0.117 nan 8.290 nan 0.000 0.407 390 K N 0.263 120.663 120.400 0.000 0.000 2.103 390 K HA -0.171 4.148 4.320 -0.000 0.000 0.207 390 K C 1.950 178.551 176.600 0.002 0.000 1.048 390 K CA 1.162 57.449 56.287 0.001 0.000 0.930 390 K CB -0.685 31.815 32.500 0.001 0.000 0.716 390 K HN 0.470 nan 8.250 nan 0.000 0.444 391 E N 1.636 121.837 120.200 0.001 0.000 2.017 391 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 391 E C 2.008 178.609 176.600 0.001 0.000 0.997 391 E CA 1.335 57.735 56.400 0.001 0.000 0.804 391 E CB 0.006 29.706 29.700 -0.000 0.000 0.757 391 E HN 0.197 nan 8.360 nan 0.000 0.448 392 K N 0.914 121.315 120.400 0.001 0.000 2.103 392 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 392 K C 2.361 178.963 176.600 0.003 0.000 1.048 392 K CA 1.670 57.957 56.287 0.001 0.000 0.930 392 K CB -0.154 32.346 32.500 0.000 0.000 0.716 392 K HN -0.047 nan 8.250 nan 0.000 0.444 393 K N 0.146 120.548 120.400 0.003 0.000 2.063 393 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 393 K C 1.906 178.510 176.600 0.007 0.000 1.048 393 K CA 1.408 57.698 56.287 0.004 0.000 0.928 393 K CB -0.189 32.313 32.500 0.003 0.000 0.713 393 K HN 0.236 nan 8.250 nan 0.000 0.442 394 A N 1.353 124.177 122.820 0.006 0.000 1.898 394 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 394 A C 2.098 179.688 177.584 0.010 0.000 1.181 394 A CA 1.247 53.289 52.037 0.009 0.000 0.620 394 A CB -0.426 18.577 19.000 0.005 0.000 0.819 394 A HN 0.321 nan 8.150 nan 0.000 0.442 395 R N -0.645 119.859 120.500 0.007 0.000 2.096 395 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 395 R C 2.036 178.343 176.300 0.011 0.000 1.127 395 R CA 1.412 57.516 56.100 0.007 0.000 0.968 395 R CB -0.489 29.813 30.300 0.003 0.000 0.861 395 R HN 0.410 nan 8.270 nan 0.000 0.440 396 V N 1.096 121.016 119.914 0.011 0.000 2.295 396 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 396 V C 1.986 178.092 176.094 0.020 0.000 1.049 396 V CA 1.812 64.119 62.300 0.012 0.000 1.024 396 V CB -0.417 31.410 31.823 0.007 0.000 0.648 396 V HN 0.346 nan 8.190 nan 0.000 0.447 397 E N -0.337 119.876 120.200 0.023 0.000 2.085 397 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 397 E C 2.034 178.674 176.600 0.066 0.000 0.994 397 E CA 1.531 57.954 56.400 0.038 0.000 0.801 397 E CB -0.153 29.570 29.700 0.037 0.000 0.743 397 E HN 0.583 nan 8.360 nan 0.000 0.453 398 D N -0.077 120.352 120.400 0.049 0.000 2.077 398 D HA -0.102 4.537 4.640 -0.000 0.000 0.196 398 D C 1.982 178.320 176.300 0.062 0.000 0.986 398 D CA 1.271 55.301 54.000 0.051 0.000 0.829 398 D CB -0.154 40.657 40.800 0.019 0.000 0.983 398 D HN 0.127 nan 8.370 nan 0.000 0.453 399 A N 0.982 123.826 122.820 0.039 0.000 1.948 399 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 399 A C 2.179 179.789 177.584 0.043 0.000 1.177 399 A CA 1.146 53.203 52.037 0.033 0.000 0.636 399 A CB -0.720 18.291 19.000 0.019 0.000 0.815 399 A HN 0.273 nan 8.150 nan 0.000 0.449 400 L N -1.024 120.225 121.223 0.044 0.000 2.017 400 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 400 L C 2.379 179.275 176.870 0.043 0.000 1.073 400 L CA 2.502 57.359 54.840 0.028 0.000 0.745 400 L CB -0.858 41.207 42.059 0.009 0.000 0.894 400 L HN 0.572 nan 8.230 nan 0.000 0.432 401 H N -0.503 118.565 119.070 -0.003 0.000 2.387 401 H HA -0.034 4.521 4.556 -0.000 0.000 0.299 401 H C 2.008 177.336 175.328 0.000 0.000 1.090 401 H CA 1.411 57.458 56.048 -0.002 0.000 1.332 401 H CB 0.093 29.853 29.762 -0.003 0.000 1.386 401 H HN 0.475 nan 8.280 nan 0.000 0.516 402 A N -0.373 122.542 122.820 0.158 0.000 1.873 402 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 402 A C 2.667 180.289 177.584 0.064 0.000 1.186 402 A CA 2.009 54.100 52.037 0.090 0.000 0.616 402 A CB -0.907 18.123 19.000 0.050 0.000 0.823 402 A HN 0.448 nan 8.150 nan 0.000 0.442 403 T N -0.608 113.974 114.554 0.047 0.000 2.821 403 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 403 T C 2.153 176.865 174.700 0.020 0.000 1.046 403 T CA 1.155 63.271 62.100 0.026 0.000 1.139 403 T CB -0.238 68.640 68.868 0.016 0.000 0.871 403 T HN 0.263 nan 8.240 nan 0.000 0.454 404 R N 1.383 121.892 120.500 0.016 0.000 2.080 404 R HA -0.000 4.340 4.340 -0.000 0.000 0.236 404 R C 2.639 178.949 176.300 0.017 0.000 1.137 404 R CA 1.882 57.978 56.100 -0.006 0.000 0.943 404 R CB -1.123 29.143 30.300 -0.057 0.000 0.846 404 R HN 0.440 nan 8.270 nan 0.000 0.431 405 A N 0.342 123.193 122.820 0.051 0.000 1.902 405 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 405 A C 2.364 179.970 177.584 0.037 0.000 1.181 405 A CA 1.942 54.014 52.037 0.057 0.000 0.623 405 A CB -0.667 18.385 19.000 0.087 0.000 0.818 405 A HN 0.422 nan 8.150 nan 0.000 0.443 406 A N -0.617 122.222 122.820 0.033 0.000 1.902 406 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 406 A C 2.201 179.795 177.584 0.017 0.000 1.181 406 A CA 1.803 53.854 52.037 0.023 0.000 0.623 406 A CB -0.929 18.083 19.000 0.020 0.000 0.818 406 A HN 0.405 nan 8.150 nan 0.000 0.443 407 V N -0.020 119.902 119.914 0.014 0.000 2.490 407 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 407 V C 2.392 178.492 176.094 0.010 0.000 1.061 407 V CA 2.213 64.519 62.300 0.009 0.000 1.064 407 V CB -0.680 31.146 31.823 0.005 0.000 0.670 407 V HN 0.631 nan 8.190 nan 0.000 0.461 408 E N -0.107 120.101 120.200 0.013 0.000 2.028 408 E HA -0.135 4.214 4.350 -0.000 0.000 0.190 408 E C 1.476 178.085 176.600 0.014 0.000 0.984 408 E CA 1.256 57.664 56.400 0.014 0.000 0.800 408 E CB 0.042 29.752 29.700 0.018 0.000 0.758 408 E HN 0.649 nan 8.360 nan 0.000 0.448 409 E N -0.519 119.691 120.200 0.017 0.000 2.758 409 E HA 0.245 4.594 4.350 -0.000 0.000 0.215 409 E C 0.121 176.730 176.600 0.015 0.000 0.985 409 E CA 0.051 56.461 56.400 0.015 0.000 1.102 409 E CB 1.550 31.260 29.700 0.017 0.000 1.042 409 E HN 0.260 nan 8.360 nan 0.000 0.480 410 G N 1.199 110.008 108.800 0.015 0.000 2.693 410 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 410 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 410 G C -0.222 174.688 174.900 0.016 0.000 1.354 410 G CA -0.414 44.694 45.100 0.014 0.000 0.873 410 G HN 0.518 nan 8.290 nan 0.000 0.562 411 V N -2.681 117.242 119.914 0.015 0.000 2.914 411 V HA 0.976 5.096 4.120 -0.000 0.000 0.314 411 V C 0.547 176.650 176.094 0.015 0.000 1.084 411 V CA 0.074 62.383 62.300 0.014 0.000 0.963 411 V CB 1.331 33.161 31.823 0.013 0.000 1.025 411 V HN 2.424 nan 8.190 nan 0.000 0.432 412 V N -0.460 119.463 119.914 0.014 0.000 3.160 412 V HA 1.010 5.130 4.120 -0.000 0.000 0.310 412 V C 0.503 176.604 176.094 0.013 0.000 1.181 412 V CA -0.726 61.583 62.300 0.016 0.000 1.047 412 V CB 1.233 33.066 31.823 0.017 0.000 1.068 412 V HN 2.073 nan 8.190 nan 0.000 0.441 413 A N 0.823 123.652 122.820 0.015 0.000 2.565 413 A HA 0.605 4.925 4.320 -0.000 0.000 0.237 413 A C 0.871 178.455 177.584 0.001 0.000 1.053 413 A CA 0.781 52.822 52.037 0.007 0.000 0.755 413 A CB -0.552 18.456 19.000 0.013 0.000 0.980 413 A HN 1.969 nan 8.150 nan 0.000 0.506 414 G N 0.460 109.255 108.800 -0.009 0.000 2.574 414 G HA2 0.534 4.494 3.960 -0.000 0.000 0.248 414 G HA3 0.534 4.494 3.960 -0.000 0.000 0.248 414 G C 1.104 175.995 174.900 -0.015 0.000 1.422 414 G CA -0.088 45.005 45.100 -0.011 0.000 1.051 414 G HN 2.241 nan 8.290 nan 0.000 0.560 415 G N -1.820 106.970 108.800 -0.017 0.000 2.258 415 G HA2 0.210 4.169 3.960 -0.000 0.000 0.274 415 G HA3 0.210 4.169 3.960 -0.000 0.000 0.274 415 G C 1.509 176.411 174.900 0.003 0.000 1.021 415 G CA 1.288 46.380 45.100 -0.013 0.000 0.798 415 G HN 2.451 nan 8.290 nan 0.000 0.507 416 G N -2.533 106.270 108.800 0.004 0.000 2.168 416 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.263 416 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.263 416 G C 1.848 176.756 174.900 0.014 0.000 0.977 416 G CA 1.911 47.017 45.100 0.010 0.000 0.659 416 G HN 2.221 nan 8.290 nan 0.000 0.533 417 V N -1.515 118.405 119.914 0.011 0.000 2.591 417 V HA 0.432 4.552 4.120 -0.000 0.000 0.249 417 V C 2.756 178.864 176.094 0.025 0.000 1.053 417 V CA 1.936 64.246 62.300 0.017 0.000 1.068 417 V CB -0.491 31.336 31.823 0.005 0.000 0.689 417 V HN 1.377 nan 8.190 nan 0.000 0.462 418 A N 0.753 123.585 122.820 0.020 0.000 1.883 418 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 418 A C 2.240 179.838 177.584 0.024 0.000 1.186 418 A CA 2.329 54.380 52.037 0.024 0.000 0.624 418 A CB -0.780 18.232 19.000 0.019 0.000 0.822 418 A HN 0.603 nan 8.150 nan 0.000 0.444 419 L N -1.094 120.141 121.223 0.020 0.000 2.083 419 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 419 L C 2.513 179.396 176.870 0.021 0.000 1.083 419 L CA 1.366 56.217 54.840 0.019 0.000 0.752 419 L CB -0.296 41.773 42.059 0.016 0.000 0.899 419 L HN 0.478 nan 8.230 nan 0.000 0.433 420 I N -0.582 120.002 120.570 0.025 0.000 2.353 420 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 420 I C 2.759 178.897 176.117 0.036 0.000 1.119 420 I CA 0.696 62.013 61.300 0.029 0.000 1.417 420 I CB 0.050 38.068 38.000 0.030 0.000 1.078 420 I HN 0.184 nan 8.210 nan 0.000 0.421 421 R N 0.485 121.010 120.500 0.042 0.000 2.070 421 R HA -0.137 4.203 4.340 -0.000 0.000 0.233 421 R C 2.019 178.342 176.300 0.038 0.000 1.137 421 R CA 2.158 58.289 56.100 0.051 0.000 0.945 421 R CB -1.121 29.213 30.300 0.056 0.000 0.845 421 R HN 0.213 nan 8.270 nan 0.000 0.430 422 V N 0.941 120.874 119.914 0.030 0.000 2.407 422 V HA -0.204 3.915 4.120 -0.000 0.000 0.248 422 V C 2.303 178.409 176.094 0.020 0.000 1.055 422 V CA 1.942 64.256 62.300 0.023 0.000 1.049 422 V CB -0.763 31.072 31.823 0.019 0.000 0.662 422 V HN 0.592 nan 8.190 nan 0.000 0.455 423 A N 0.328 123.160 122.820 0.021 0.000 1.898 423 A HA -0.193 4.126 4.320 -0.000 0.000 0.216 423 A C 2.536 180.132 177.584 0.019 0.000 1.181 423 A CA 2.070 54.118 52.037 0.018 0.000 0.620 423 A CB -0.797 18.213 19.000 0.017 0.000 0.819 423 A HN 0.699 nan 8.150 nan 0.000 0.442 424 S N -0.134 115.581 115.700 0.025 0.000 2.440 424 S HA -0.153 4.317 4.470 -0.000 0.000 0.238 424 S C 1.634 176.247 174.600 0.021 0.000 1.010 424 S CA 1.575 59.790 58.200 0.025 0.000 0.972 424 S CB -0.355 62.866 63.200 0.035 0.000 0.774 424 S HN 0.598 nan 8.310 nan 0.000 0.501 425 K N 0.414 120.827 120.400 0.021 0.000 2.418 425 K HA 0.282 4.602 4.320 -0.000 0.000 0.195 425 K C 0.743 177.351 176.600 0.013 0.000 1.035 425 K CA 0.380 56.678 56.287 0.017 0.000 1.003 425 K CB -0.094 32.417 32.500 0.018 0.000 0.793 425 K HN 0.429 nan 8.250 nan 0.000 0.494 426 L N 0.054 121.285 121.223 0.012 0.000 2.872 426 L HA 0.236 4.576 4.340 -0.000 0.000 0.245 426 L C 1.655 178.530 176.870 0.008 0.000 1.211 426 L CA -0.313 54.533 54.840 0.009 0.000 1.013 426 L CB 0.243 42.307 42.059 0.008 0.000 1.326 426 L HN 0.038 nan 8.230 nan 0.000 0.525 427 A N 0.218 123.043 122.820 0.009 0.000 1.948 427 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 427 A C 1.703 179.290 177.584 0.006 0.000 1.177 427 A CA 1.866 53.907 52.037 0.008 0.000 0.636 427 A CB -0.195 18.809 19.000 0.008 0.000 0.815 427 A HN 0.388 nan 8.150 nan 0.000 0.449 428 D N -0.958 119.445 120.400 0.005 0.000 2.340 428 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 428 D C 0.371 176.673 176.300 0.004 0.000 1.039 428 D CA -0.153 53.850 54.000 0.004 0.000 0.866 428 D CB -0.207 40.595 40.800 0.004 0.000 0.913 428 D HN 0.351 nan 8.370 nan 0.000 0.523 429 L N 2.034 123.260 121.223 0.004 0.000 2.499 429 L HA 0.049 4.389 4.340 -0.000 0.000 0.273 429 L C 0.182 177.053 176.870 0.003 0.000 1.195 429 L CA 0.585 55.428 54.840 0.003 0.000 0.882 429 L CB 0.109 42.170 42.059 0.004 0.000 1.133 429 L HN -0.199 nan 8.230 nan 0.000 0.483 430 R N 3.266 123.767 120.500 0.002 0.000 2.855 430 R HA 0.714 5.054 4.340 -0.000 0.000 0.266 430 R C -0.197 176.104 176.300 0.002 0.000 1.034 430 R CA -0.348 55.754 56.100 0.002 0.000 0.944 430 R CB 1.443 31.745 30.300 0.002 0.000 1.219 430 R HN 0.799 nan 8.270 nan 0.000 0.474 431 G N -0.397 108.404 108.800 0.002 0.000 3.122 431 G HA2 0.202 4.162 3.960 -0.000 0.000 0.180 431 G HA3 0.202 4.162 3.960 -0.000 0.000 0.180 431 G C -0.061 174.840 174.900 0.002 0.000 1.279 431 G CA -0.245 44.856 45.100 0.002 0.000 0.987 431 G HN 0.408 nan 8.290 nan 0.000 0.589 432 Q N -0.346 119.455 119.800 0.002 0.000 2.392 432 Q HA 0.168 4.508 4.340 -0.000 0.000 0.203 432 Q C -0.257 175.744 176.000 0.002 0.000 0.917 432 Q CA 0.409 56.213 55.803 0.001 0.000 0.939 432 Q CB 0.169 28.907 28.738 0.001 0.000 1.063 432 Q HN 0.603 nan 8.270 nan 0.000 0.516 433 N N -2.601 116.100 118.700 0.002 0.000 3.046 433 N HA 0.001 4.741 4.740 -0.000 0.000 0.243 433 N C -0.216 175.295 175.510 0.002 0.000 1.452 433 N CA -0.531 52.520 53.050 0.002 0.000 0.882 433 N CB 0.404 38.892 38.487 0.002 0.000 1.425 433 N HN -0.304 nan 8.380 nan 0.000 0.517 434 E N -0.288 119.913 120.200 0.002 0.000 2.160 434 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 434 E C 0.398 176.999 176.600 0.002 0.000 0.991 434 E CA 1.556 57.958 56.400 0.002 0.000 0.810 434 E CB -0.265 29.437 29.700 0.002 0.000 0.742 434 E HN 0.587 nan 8.360 nan 0.000 0.466 435 D N -0.085 120.317 120.400 0.003 0.000 2.117 435 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 435 D C 1.860 178.162 176.300 0.003 0.000 0.982 435 D CA 0.931 54.933 54.000 0.003 0.000 0.828 435 D CB -0.161 40.642 40.800 0.004 0.000 0.967 435 D HN 0.379 nan 8.370 nan 0.000 0.464 436 Q N 0.182 119.984 119.800 0.003 0.000 2.167 436 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 436 Q C 1.736 177.738 176.000 0.003 0.000 0.970 436 Q CA 0.633 56.438 55.803 0.003 0.000 0.855 436 Q CB -0.064 28.676 28.738 0.002 0.000 0.911 436 Q HN 0.239 nan 8.270 nan 0.000 0.438 437 N N 0.331 119.033 118.700 0.003 0.000 2.166 437 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 437 N C 1.838 177.350 175.510 0.003 0.000 1.019 437 N CA 0.860 53.912 53.050 0.003 0.000 0.856 437 N CB -0.204 38.285 38.487 0.003 0.000 0.993 437 N HN 0.042 nan 8.380 nan 0.000 0.426 438 V N 0.662 120.578 119.914 0.003 0.000 2.358 438 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 438 V C 2.413 178.510 176.094 0.004 0.000 1.047 438 V CA 1.916 64.219 62.300 0.004 0.000 1.035 438 V CB -1.153 30.672 31.823 0.003 0.000 0.658 438 V HN 0.321 nan 8.190 nan 0.000 0.452 439 G N 0.003 108.805 108.800 0.004 0.000 2.440 439 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 439 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 439 G C 1.565 176.468 174.900 0.004 0.000 1.154 439 G CA 1.147 46.249 45.100 0.005 0.000 0.767 439 G HN 0.480 nan 8.290 nan 0.000 0.552 440 I N 0.260 120.832 120.570 0.004 0.000 2.179 440 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 440 I C 2.702 178.822 176.117 0.005 0.000 1.088 440 I CA 1.087 62.389 61.300 0.004 0.000 1.357 440 I CB -0.157 37.845 38.000 0.003 0.000 1.051 440 I HN 0.041 nan 8.210 nan 0.000 0.409 441 K N 0.552 120.955 120.400 0.005 0.000 2.148 441 K HA -0.072 4.247 4.320 -0.000 0.000 0.204 441 K C 2.121 178.724 176.600 0.005 0.000 1.050 441 K CA 0.929 57.219 56.287 0.005 0.000 0.942 441 K CB -0.593 31.909 32.500 0.005 0.000 0.724 441 K HN 0.218 nan 8.250 nan 0.000 0.446 442 V N 1.645 121.562 119.914 0.005 0.000 2.343 442 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 442 V C 2.472 178.570 176.094 0.007 0.000 1.051 442 V CA 2.041 64.344 62.300 0.006 0.000 1.036 442 V CB -0.726 31.101 31.823 0.006 0.000 0.654 442 V HN 0.296 nan 8.190 nan 0.000 0.451 443 A N -0.377 122.446 122.820 0.007 0.000 1.873 443 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 443 A C 2.190 179.779 177.584 0.008 0.000 1.186 443 A CA 1.595 53.636 52.037 0.007 0.000 0.616 443 A CB -0.505 18.498 19.000 0.005 0.000 0.823 443 A HN 0.489 nan 8.150 nan 0.000 0.442 444 L N -1.250 119.977 121.223 0.007 0.000 2.083 444 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 444 L C 2.881 179.757 176.870 0.009 0.000 1.083 444 L CA 1.527 56.372 54.840 0.009 0.000 0.752 444 L CB -0.533 41.531 42.059 0.008 0.000 0.899 444 L HN 0.379 nan 8.230 nan 0.000 0.433 445 R N -0.085 120.419 120.500 0.008 0.000 2.066 445 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 445 R C 2.466 178.771 176.300 0.008 0.000 1.131 445 R CA 1.348 57.452 56.100 0.007 0.000 0.955 445 R CB -0.406 29.898 30.300 0.006 0.000 0.851 445 R HN 0.345 nan 8.270 nan 0.000 0.432 446 A N 0.836 123.661 122.820 0.008 0.000 1.986 446 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 446 A C 2.051 179.641 177.584 0.010 0.000 1.171 446 A CA 1.494 53.537 52.037 0.009 0.000 0.640 446 A CB -0.479 18.527 19.000 0.010 0.000 0.811 446 A HN 0.267 nan 8.150 nan 0.000 0.451 447 M N -0.754 118.853 119.600 0.011 0.000 2.629 447 M HA -0.127 4.353 4.480 -0.000 0.000 0.257 447 M C 1.379 177.687 176.300 0.012 0.000 1.071 447 M CA 1.077 56.385 55.300 0.012 0.000 1.077 447 M CB -0.229 32.379 32.600 0.013 0.000 1.423 447 M HN 0.487 nan 8.290 nan 0.000 0.508 448 E N -0.142 120.064 120.200 0.011 0.000 2.447 448 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 448 E C 2.041 178.645 176.600 0.007 0.000 1.028 448 E CA 0.331 56.737 56.400 0.009 0.000 0.876 448 E CB 0.138 29.842 29.700 0.008 0.000 0.885 448 E HN 0.471 nan 8.360 nan 0.000 0.500 449 A N 2.517 125.341 122.820 0.007 0.000 1.869 449 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 449 A C -0.341 177.246 177.584 0.005 0.000 1.203 449 A CA 1.591 53.631 52.037 0.006 0.000 0.638 449 A CB -1.618 17.386 19.000 0.007 0.000 0.831 449 A HN 0.124 nan 8.150 nan 0.000 0.450 450 P HA -0.197 nan 4.420 nan 0.000 0.214 450 P C 1.874 179.179 177.300 0.008 0.000 1.169 450 P CA 1.282 64.386 63.100 0.008 0.000 0.908 450 P CB -0.163 31.543 31.700 0.010 0.000 0.791 451 L N -0.892 120.336 121.223 0.009 0.000 1.989 451 L HA -0.235 4.104 4.340 -0.000 0.000 0.211 451 L C 2.547 179.419 176.870 0.002 0.000 1.071 451 L CA 1.826 56.672 54.840 0.011 0.000 0.749 451 L CB -0.374 41.692 42.059 0.011 0.000 0.890 451 L HN -0.184 nan 8.230 nan 0.000 0.431 452 R N -0.746 119.750 120.500 -0.006 0.000 2.096 452 R HA -0.279 4.061 4.340 -0.000 0.000 0.240 452 R C 2.326 178.621 176.300 -0.009 0.000 1.139 452 R CA 2.053 58.144 56.100 -0.014 0.000 0.952 452 R CB -0.429 29.864 30.300 -0.011 0.000 0.854 452 R HN 0.413 nan 8.270 nan 0.000 0.436 453 Q N 0.943 120.742 119.800 -0.001 0.000 2.050 453 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 453 Q C 1.865 177.868 176.000 0.006 0.000 0.980 453 Q CA 1.645 57.449 55.803 0.001 0.000 0.840 453 Q CB -0.191 28.548 28.738 0.002 0.000 0.898 453 Q HN 0.362 nan 8.270 nan 0.000 0.424 454 I N -0.648 119.929 120.570 0.011 0.000 2.127 454 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 454 I C 2.097 178.235 176.117 0.036 0.000 1.075 454 I CA 1.194 62.508 61.300 0.022 0.000 1.334 454 I CB -0.449 37.569 38.000 0.030 0.000 1.040 454 I HN 0.081 nan 8.210 nan 0.000 0.405 455 V N 0.639 120.571 119.914 0.030 0.000 2.332 455 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 455 V C 2.393 178.491 176.094 0.006 0.000 1.055 455 V CA 1.689 63.999 62.300 0.017 0.000 1.038 455 V CB -0.555 31.221 31.823 -0.079 0.000 0.651 455 V HN 0.350 nan 8.190 nan 0.000 0.450 456 L N 0.866 122.088 121.223 -0.002 0.000 2.017 456 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 456 L C 2.221 179.095 176.870 0.007 0.000 1.073 456 L CA 1.979 56.818 54.840 -0.002 0.000 0.745 456 L CB -0.901 41.157 42.059 -0.003 0.000 0.894 456 L HN 0.324 nan 8.230 nan 0.000 0.432 457 N N -1.148 117.558 118.700 0.010 0.000 2.348 457 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 457 N C 1.687 177.207 175.510 0.015 0.000 1.019 457 N CA 1.555 54.611 53.050 0.010 0.000 0.880 457 N CB -0.729 37.763 38.487 0.008 0.000 0.965 457 N HN 0.429 nan 8.380 nan 0.000 0.437 458 C N -0.615 118.702 119.300 0.027 0.000 2.562 458 C HA 0.273 4.733 4.460 -0.000 0.000 0.266 458 C C 1.633 176.643 174.990 0.033 0.000 1.382 458 C CA 0.299 59.339 59.018 0.038 0.000 1.742 458 C CB -1.090 26.696 27.740 0.077 0.000 1.812 458 C HN 0.620 nan 8.230 nan 0.000 0.559 459 G N 1.168 109.981 108.800 0.021 0.000 2.137 459 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.237 459 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.237 459 G C -0.287 174.622 174.900 0.015 0.000 1.002 459 G CA 0.134 45.243 45.100 0.016 0.000 0.702 459 G HN 0.507 nan 8.290 nan 0.000 0.515 460 E N 0.032 120.238 120.200 0.010 0.000 2.243 460 E HA 0.447 4.797 4.350 -0.000 0.000 0.260 460 E C 0.075 176.655 176.600 -0.033 0.000 0.985 460 E CA -0.835 55.559 56.400 -0.009 0.000 0.858 460 E CB 0.790 30.476 29.700 -0.024 0.000 1.210 460 E HN 0.464 nan 8.360 nan 0.000 0.411 461 E N 1.832 122.007 120.200 -0.043 0.000 2.070 461 E HA 0.095 4.445 4.350 -0.000 0.000 0.282 461 E C -1.700 174.860 176.600 -0.067 0.000 1.104 461 E CA -1.535 54.840 56.400 -0.041 0.000 0.876 461 E CB 0.760 30.444 29.700 -0.028 0.000 1.055 461 E HN 0.129 nan 8.360 nan 0.000 0.401 462 P HA -0.276 nan 4.420 nan 0.000 0.214 462 P C 1.401 178.668 177.300 -0.055 0.000 1.163 462 P CA 1.492 64.555 63.100 -0.063 0.000 0.889 462 P CB 0.173 31.851 31.700 -0.036 0.000 0.790 463 S N -1.231 114.448 115.700 -0.035 0.000 2.400 463 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 463 S C 1.989 176.574 174.600 -0.025 0.000 1.025 463 S CA 1.532 59.718 58.200 -0.024 0.000 0.993 463 S CB -1.764 61.426 63.200 -0.015 0.000 0.808 463 S HN -0.043 nan 8.310 nan 0.000 0.478 464 V N 1.500 121.394 119.914 -0.034 0.000 2.283 464 V HA -0.097 4.022 4.120 -0.000 0.000 0.243 464 V C 2.646 178.724 176.094 -0.026 0.000 1.039 464 V CA 1.496 63.779 62.300 -0.027 0.000 1.016 464 V CB -0.809 30.998 31.823 -0.026 0.000 0.650 464 V HN 0.431 nan 8.190 nan 0.000 0.449 465 V N 0.401 120.265 119.914 -0.084 0.000 2.287 465 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 465 V C 2.753 178.835 176.094 -0.021 0.000 1.053 465 V CA 2.126 64.355 62.300 -0.118 0.000 1.027 465 V CB -1.171 30.363 31.823 -0.482 0.000 0.646 465 V HN 0.558 nan 8.190 nan 0.000 0.447 466 A N 0.417 123.213 122.820 -0.040 0.000 1.892 466 A HA -0.349 3.970 4.320 -0.000 0.000 0.218 466 A C 2.068 179.669 177.584 0.029 0.000 1.188 466 A CA 2.619 54.655 52.037 -0.001 0.000 0.631 466 A CB -0.977 18.018 19.000 -0.009 0.000 0.822 466 A HN 0.635 nan 8.150 nan 0.000 0.447 467 N N -0.819 117.892 118.700 0.018 0.000 2.069 467 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 467 N C 1.708 177.244 175.510 0.043 0.000 1.031 467 N CA 2.421 55.485 53.050 0.023 0.000 0.852 467 N CB -0.467 38.024 38.487 0.007 0.000 1.018 467 N HN 0.417 nan 8.380 nan 0.000 0.423 468 T N -0.363 114.222 114.554 0.052 0.000 2.674 468 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 468 T C 1.950 176.760 174.700 0.184 0.000 1.039 468 T CA 1.412 63.546 62.100 0.057 0.000 1.150 468 T CB -0.503 68.327 68.868 -0.063 0.000 0.864 468 T HN 0.036 nan 8.240 nan 0.000 0.427 469 V N 1.660 121.707 119.914 0.222 0.000 2.392 469 V HA -0.222 3.897 4.120 -0.000 0.000 0.249 469 V C 2.431 178.646 176.094 0.201 0.000 1.059 469 V CA 1.624 64.056 62.300 0.220 0.000 1.051 469 V CB -0.562 31.335 31.823 0.124 0.000 0.658 469 V HN 0.493 nan 8.190 nan 0.000 0.455 470 K N 0.284 120.761 120.400 0.128 0.000 2.097 470 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 470 K C 2.224 178.884 176.600 0.099 0.000 1.049 470 K CA 1.404 57.749 56.287 0.095 0.000 0.933 470 K CB -0.629 31.906 32.500 0.058 0.000 0.717 470 K HN 0.569 nan 8.250 nan 0.000 0.442 471 G N 1.032 109.892 108.800 0.100 0.000 2.498 471 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 471 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 471 G C 0.779 175.709 174.900 0.050 0.000 1.119 471 G CA 0.758 45.894 45.100 0.061 0.000 0.766 471 G HN 0.375 nan 8.290 nan 0.000 0.552 472 G N -1.126 107.764 108.800 0.150 0.000 2.509 472 G HA2 0.495 4.455 3.960 -0.000 0.000 0.269 472 G HA3 0.495 4.455 3.960 -0.000 0.000 0.269 472 G C -0.909 174.040 174.900 0.082 0.000 1.416 472 G CA -0.398 44.735 45.100 0.056 0.000 1.052 472 G HN 0.133 nan 8.290 nan 0.000 0.542 473 D N -2.261 118.184 120.400 0.075 0.000 2.559 473 D HA 0.495 5.134 4.640 -0.000 0.000 0.250 473 D C 0.951 177.322 176.300 0.119 0.000 1.135 473 D CA 0.572 54.617 54.000 0.075 0.000 0.955 473 D CB 1.911 42.720 40.800 0.014 0.000 1.442 473 D HN 0.781 nan 8.370 nan 0.000 0.471 474 G N 1.254 110.103 108.800 0.082 0.000 2.684 474 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.332 474 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.332 474 G C 0.336 175.297 174.900 0.102 0.000 1.306 474 G CA 0.772 45.920 45.100 0.079 0.000 1.002 474 G HN 0.613 nan 8.290 nan 0.000 0.545 475 N N 0.001 118.762 118.700 0.102 0.000 2.378 475 N HA 0.355 5.095 4.740 -0.000 0.000 0.243 475 N C -0.135 175.452 175.510 0.130 0.000 1.137 475 N CA -0.102 53.003 53.050 0.092 0.000 0.862 475 N CB 0.262 38.785 38.487 0.059 0.000 1.116 475 N HN 0.518 nan 8.380 nan 0.000 0.499 476 Y N 0.970 121.302 120.300 0.052 0.000 2.377 476 Y HA 0.538 5.087 4.550 -0.000 0.000 0.330 476 Y C 0.660 176.622 175.900 0.103 0.000 1.108 476 Y CA -0.086 58.060 58.100 0.077 0.000 1.308 476 Y CB 0.265 38.772 38.460 0.078 0.000 1.216 476 Y HN 0.076 nan 8.280 nan 0.000 0.518 477 G N 3.953 112.463 108.800 -0.483 0.000 2.554 477 G HA2 0.221 4.181 3.960 -0.000 0.000 0.306 477 G HA3 0.221 4.181 3.960 -0.000 0.000 0.306 477 G C -2.475 172.214 174.900 -0.350 0.000 1.320 477 G CA -1.016 43.877 45.100 -0.345 0.000 0.800 477 G HN 0.605 nan 8.290 nan 0.000 0.481 478 Y N 1.482 121.532 120.300 -0.418 0.000 2.320 478 Y HA 0.594 5.144 4.550 -0.000 0.000 0.334 478 Y C 0.065 175.742 175.900 -0.371 0.000 1.055 478 Y CA -1.204 56.518 58.100 -0.630 0.000 1.143 478 Y CB 1.493 39.560 38.460 -0.655 0.000 1.193 478 Y HN 0.411 nan 8.280 nan 0.000 0.477 479 N N 5.108 123.326 118.700 -0.804 0.000 2.645 479 N HA 0.177 4.916 4.740 -0.000 0.000 0.233 479 N C 0.559 175.537 175.510 -0.886 0.000 1.058 479 N CA 0.539 53.233 53.050 -0.593 0.000 0.942 479 N CB 0.991 39.242 38.487 -0.393 0.000 1.210 479 N HN 0.932 nan 8.380 nan 0.000 0.512 480 A N 3.680 126.108 122.820 -0.652 0.000 1.958 480 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 480 A C 2.108 179.522 177.584 -0.285 0.000 1.178 480 A CA 2.068 53.858 52.037 -0.413 0.000 0.642 480 A CB -0.663 18.308 19.000 -0.049 0.000 0.816 480 A HN 0.694 nan 8.150 nan 0.000 0.453 481 A N -0.788 121.890 122.820 -0.237 0.000 1.902 481 A HA -0.065 4.254 4.320 -0.000 0.000 0.217 481 A C 2.304 179.793 177.584 -0.158 0.000 1.181 481 A CA 2.439 54.385 52.037 -0.153 0.000 0.623 481 A CB -0.949 17.979 19.000 -0.121 0.000 0.818 481 A HN 0.907 nan 8.150 nan 0.000 0.443 482 T N -4.028 110.393 114.554 -0.222 0.000 3.054 482 T HA 0.276 4.625 4.350 -0.000 0.000 0.255 482 T C 0.252 174.830 174.700 -0.203 0.000 1.035 482 T CA 0.680 62.677 62.100 -0.173 0.000 0.941 482 T CB -0.218 68.564 68.868 -0.143 0.000 1.026 482 T HN 0.577 nan 8.240 nan 0.000 0.533 483 E N 0.820 120.792 120.200 -0.379 0.000 2.791 483 E HA -0.137 4.212 4.350 -0.000 0.000 0.271 483 E C -0.880 175.578 176.600 -0.237 0.000 1.044 483 E CA 0.572 56.767 56.400 -0.341 0.000 0.814 483 E CB -1.076 28.626 29.700 0.004 0.000 1.400 483 E HN 0.600 nan 8.360 nan 0.000 0.423 484 E N -0.015 119.966 120.200 -0.365 0.000 2.199 484 E HA 0.369 4.718 4.350 -0.000 0.000 0.269 484 E C -0.448 176.023 176.600 -0.214 0.000 0.899 484 E CA -0.624 55.697 56.400 -0.131 0.000 0.772 484 E CB 0.854 30.517 29.700 -0.062 0.000 1.155 484 E HN 0.048 nan 8.360 nan 0.000 0.408 485 Y N 0.345 120.645 120.300 -0.000 0.000 2.316 485 Y HA 0.606 5.156 4.550 -0.000 0.000 0.324 485 Y C 1.286 177.179 175.900 -0.012 0.000 1.267 485 Y CA 0.479 58.543 58.100 -0.060 0.000 1.311 485 Y CB 1.590 40.060 38.460 0.017 0.000 1.267 485 Y HN 0.677 nan 8.280 nan 0.000 0.516 486 G N 0.662 109.499 108.800 0.062 0.000 2.344 486 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.282 486 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.282 486 G C -1.759 173.226 174.900 0.141 0.000 1.281 486 G CA -1.193 44.025 45.100 0.196 0.000 0.877 486 G HN 0.535 nan 8.290 nan 0.000 0.494 487 N N 1.200 119.980 118.700 0.134 0.000 2.401 487 N HA 0.136 4.876 4.740 -0.000 0.000 0.255 487 N C 1.756 177.285 175.510 0.031 0.000 1.110 487 N CA -0.496 52.614 53.050 0.101 0.000 0.949 487 N CB 0.802 39.342 38.487 0.089 0.000 1.110 487 N HN 0.380 nan 8.380 nan 0.000 0.490 488 M N 3.471 123.076 119.600 0.007 0.000 2.149 488 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 488 M C 1.604 177.897 176.300 -0.011 0.000 1.064 488 M CA 1.166 56.452 55.300 -0.023 0.000 1.102 488 M CB -0.552 32.032 32.600 -0.026 0.000 1.369 488 M HN 0.558 nan 8.290 nan 0.000 0.408 489 I N 0.144 120.718 120.570 0.008 0.000 2.202 489 I HA -0.234 3.935 4.170 -0.000 0.000 0.242 489 I C 1.893 178.013 176.117 0.005 0.000 1.091 489 I CA 1.314 62.618 61.300 0.007 0.000 1.368 489 I CB -1.656 36.353 38.000 0.016 0.000 1.058 489 I HN 0.204 nan 8.210 nan 0.000 0.410 490 D N 1.013 121.420 120.400 0.012 0.000 2.123 490 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 490 D C 2.183 178.483 176.300 -0.001 0.000 0.992 490 D CA 1.277 55.284 54.000 0.011 0.000 0.833 490 D CB -0.240 40.572 40.800 0.022 0.000 0.954 490 D HN 0.311 nan 8.370 nan 0.000 0.455 491 M N -0.513 119.081 119.600 -0.009 0.000 2.686 491 M HA 0.101 4.581 4.480 -0.000 0.000 0.246 491 M C 0.970 177.251 176.300 -0.031 0.000 1.096 491 M CA 0.605 55.889 55.300 -0.026 0.000 1.076 491 M CB 0.145 32.716 32.600 -0.049 0.000 1.504 491 M HN 0.081 nan 8.290 nan 0.000 0.524 492 G N 2.104 110.892 108.800 -0.021 0.000 2.221 492 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.265 492 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.265 492 G C -0.035 174.850 174.900 -0.027 0.000 1.041 492 G CA -0.142 44.946 45.100 -0.020 0.000 0.807 492 G HN 0.555 nan 8.290 nan 0.000 0.502 493 I N 0.738 121.289 120.570 -0.032 0.000 2.460 493 I HA 0.461 4.631 4.170 -0.000 0.000 0.277 493 I C 0.214 176.316 176.117 -0.025 0.000 1.057 493 I CA -0.866 60.412 61.300 -0.038 0.000 1.179 493 I CB 0.485 38.448 38.000 -0.062 0.000 1.329 493 I HN 0.206 nan 8.210 nan 0.000 0.478 494 L N 3.014 124.227 121.223 -0.015 0.000 2.277 494 L HA 0.822 5.162 4.340 -0.000 0.000 0.254 494 L C -1.085 175.783 176.870 -0.003 0.000 1.044 494 L CA -0.665 54.171 54.840 -0.006 0.000 0.842 494 L CB 1.409 43.467 42.059 -0.001 0.000 1.422 494 L HN 0.031 nan 8.230 nan 0.000 0.422 495 D N -0.688 119.714 120.400 0.003 0.000 2.819 495 D HA 0.434 5.073 4.640 -0.000 0.000 0.232 495 D C -2.816 173.491 176.300 0.013 0.000 1.160 495 D CA -1.077 52.928 54.000 0.007 0.000 0.858 495 D CB 2.724 43.528 40.800 0.007 0.000 1.610 495 D HN 0.368 nan 8.370 nan 0.000 0.481 496 P HA 0.074 nan 4.420 nan 0.000 0.267 496 P C 0.880 178.193 177.300 0.022 0.000 1.205 496 P CA 0.100 63.213 63.100 0.023 0.000 0.765 496 P CB 0.647 32.367 31.700 0.033 0.000 0.828 497 T N 2.584 117.150 114.554 0.020 0.000 2.760 497 T HA -0.238 4.112 4.350 -0.000 0.000 0.269 497 T C 1.613 176.326 174.700 0.021 0.000 1.047 497 T CA 1.379 63.490 62.100 0.018 0.000 1.139 497 T CB -0.290 68.587 68.868 0.016 0.000 0.855 497 T HN 0.499 nan 8.240 nan 0.000 0.471 498 K N 0.820 121.236 120.400 0.027 0.000 2.057 498 K HA -0.106 4.213 4.320 -0.000 0.000 0.207 498 K C 2.444 179.068 176.600 0.041 0.000 1.049 498 K CA 1.503 57.810 56.287 0.033 0.000 0.931 498 K CB -0.305 32.221 32.500 0.044 0.000 0.714 498 K HN 0.363 nan 8.250 nan 0.000 0.440 499 V N -0.537 119.400 119.914 0.039 0.000 2.453 499 V HA -0.139 3.980 4.120 -0.000 0.000 0.247 499 V C 1.744 177.861 176.094 0.037 0.000 1.048 499 V CA 2.241 64.565 62.300 0.040 0.000 1.049 499 V CB -0.568 31.269 31.823 0.023 0.000 0.672 499 V HN 0.279 nan 8.190 nan 0.000 0.457 500 T N 0.571 115.142 114.554 0.027 0.000 2.737 500 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 500 T C 1.963 176.676 174.700 0.022 0.000 1.038 500 T CA 2.027 64.141 62.100 0.023 0.000 1.144 500 T CB -0.372 68.507 68.868 0.017 0.000 0.866 500 T HN 0.624 nan 8.240 nan 0.000 0.434 501 R N 0.948 121.457 120.500 0.016 0.000 2.083 501 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 501 R C 2.523 178.819 176.300 -0.007 0.000 1.137 501 R CA 1.881 57.981 56.100 0.000 0.000 0.951 501 R CB -0.407 29.890 30.300 -0.006 0.000 0.851 501 R HN 0.225 nan 8.270 nan 0.000 0.434 502 S N 0.489 116.203 115.700 0.023 0.000 2.356 502 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 502 S C 2.030 176.718 174.600 0.147 0.000 1.032 502 S CA 1.159 59.397 58.200 0.063 0.000 1.005 502 S CB -0.313 62.992 63.200 0.174 0.000 0.867 502 S HN 0.591 nan 8.310 nan 0.000 0.449 503 A N 1.424 124.317 122.820 0.121 0.000 1.892 503 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 503 A C 2.148 179.785 177.584 0.090 0.000 1.188 503 A CA 1.674 53.779 52.037 0.114 0.000 0.631 503 A CB -0.790 18.247 19.000 0.062 0.000 0.822 503 A HN 0.422 nan 8.150 nan 0.000 0.447 504 L N -0.231 121.018 121.223 0.044 0.000 2.005 504 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 504 L C 2.510 179.381 176.870 0.002 0.000 1.072 504 L CA 2.405 57.258 54.840 0.021 0.000 0.744 504 L CB -0.910 41.153 42.059 0.006 0.000 0.895 504 L HN 0.523 nan 8.230 nan 0.000 0.433 505 Q N -1.723 118.046 119.800 -0.052 0.000 2.084 505 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 505 Q C 2.168 178.093 176.000 -0.124 0.000 0.978 505 Q CA 2.075 57.800 55.803 -0.129 0.000 0.844 505 Q CB -0.361 28.230 28.738 -0.245 0.000 0.898 505 Q HN 0.515 nan 8.270 nan 0.000 0.426 506 Y N 0.272 120.574 120.300 0.002 0.000 2.200 506 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 506 Y C 2.426 178.326 175.900 0.001 0.000 1.137 506 Y CA 0.918 59.019 58.100 0.001 0.000 1.163 506 Y CB -0.721 37.739 38.460 -0.001 0.000 0.988 506 Y HN 0.125 nan 8.280 nan 0.000 0.518 507 A N 0.119 123.035 122.820 0.160 0.000 1.865 507 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 507 A C 2.475 180.096 177.584 0.061 0.000 1.191 507 A CA 2.176 54.267 52.037 0.090 0.000 0.623 507 A CB -1.343 17.694 19.000 0.062 0.000 0.826 507 A HN 0.397 nan 8.150 nan 0.000 0.444 508 A N -0.854 121.991 122.820 0.041 0.000 1.972 508 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 508 A C 2.460 180.059 177.584 0.025 0.000 1.169 508 A CA 2.227 54.277 52.037 0.022 0.000 0.635 508 A CB -0.916 18.087 19.000 0.004 0.000 0.810 508 A HN 0.622 nan 8.150 nan 0.000 0.446 509 S N -0.840 114.882 115.700 0.037 0.000 2.348 509 S HA -0.144 4.325 4.470 -0.000 0.000 0.221 509 S C 1.976 176.607 174.600 0.052 0.000 1.033 509 S CA 1.785 60.011 58.200 0.043 0.000 1.010 509 S CB -0.596 62.647 63.200 0.072 0.000 0.891 509 S HN 0.573 nan 8.310 nan 0.000 0.442 510 V N 1.666 121.621 119.914 0.068 0.000 2.515 510 V HA 0.053 4.173 4.120 -0.000 0.000 0.250 510 V C 2.557 178.673 176.094 0.035 0.000 1.058 510 V CA 1.890 64.220 62.300 0.051 0.000 1.064 510 V CB -0.993 30.860 31.823 0.050 0.000 0.675 510 V HN 0.598 nan 8.190 nan 0.000 0.461 511 A N 0.075 122.915 122.820 0.034 0.000 1.898 511 A HA -0.003 4.316 4.320 -0.000 0.000 0.216 511 A C 2.359 179.956 177.584 0.021 0.000 1.181 511 A CA 1.754 53.806 52.037 0.025 0.000 0.620 511 A CB -1.348 17.666 19.000 0.023 0.000 0.819 511 A HN 0.632 nan 8.150 nan 0.000 0.442 512 G N -0.169 108.644 108.800 0.021 0.000 2.422 512 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 512 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 512 G C 1.549 176.460 174.900 0.018 0.000 1.146 512 G CA 1.020 46.130 45.100 0.017 0.000 0.769 512 G HN 0.428 nan 8.290 nan 0.000 0.547 513 L N -0.296 120.940 121.223 0.022 0.000 2.046 513 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 513 L C 3.113 179.995 176.870 0.020 0.000 1.077 513 L CA 1.003 55.855 54.840 0.021 0.000 0.747 513 L CB -0.323 41.751 42.059 0.024 0.000 0.896 513 L HN 0.241 nan 8.230 nan 0.000 0.432 514 M N -0.595 119.017 119.600 0.020 0.000 2.132 514 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 514 M C 2.314 178.624 176.300 0.017 0.000 1.065 514 M CA 1.761 57.073 55.300 0.019 0.000 1.122 514 M CB -0.327 32.285 32.600 0.019 0.000 1.365 514 M HN 0.187 nan 8.290 nan 0.000 0.411 515 I N 0.155 120.734 120.570 0.016 0.000 2.335 515 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 515 I C 1.734 177.860 176.117 0.015 0.000 1.129 515 I CA 1.505 62.814 61.300 0.014 0.000 1.402 515 I CB -0.561 37.447 38.000 0.013 0.000 1.069 515 I HN 0.401 nan 8.210 nan 0.000 0.424 516 T N -3.015 111.549 114.554 0.016 0.000 3.251 516 T HA 0.167 4.517 4.350 -0.000 0.000 0.259 516 T C 0.435 175.147 174.700 0.019 0.000 0.998 516 T CA -0.326 61.785 62.100 0.017 0.000 0.905 516 T CB -0.412 68.465 68.868 0.016 0.000 1.067 516 T HN -0.058 nan 8.240 nan 0.000 0.569 517 T N 2.010 116.575 114.554 0.019 0.000 2.799 517 T HA 0.365 4.715 4.350 -0.000 0.000 0.286 517 T C 0.517 175.230 174.700 0.022 0.000 0.973 517 T CA -0.577 61.534 62.100 0.018 0.000 1.035 517 T CB 1.718 70.595 68.868 0.016 0.000 0.932 517 T HN 0.099 nan 8.240 nan 0.000 0.469 518 E N 0.446 120.663 120.200 0.029 0.000 2.485 518 E HA 0.186 4.535 4.350 -0.000 0.000 0.213 518 E C -0.000 176.625 176.600 0.042 0.000 0.923 518 E CA 0.104 56.537 56.400 0.054 0.000 1.054 518 E CB 0.822 30.572 29.700 0.084 0.000 1.077 518 E HN 0.567 nan 8.360 nan 0.000 0.509 519 C N 0.590 119.875 119.300 -0.025 0.000 2.888 519 C HA 0.705 5.164 4.460 -0.000 0.000 0.308 519 C C -1.369 173.544 174.990 -0.128 0.000 1.213 519 C CA -0.567 58.347 59.018 -0.174 0.000 1.461 519 C CB 0.596 28.224 27.740 -0.188 0.000 1.934 519 C HN 0.131 nan 8.230 nan 0.000 0.474 520 M N 4.978 124.484 119.600 -0.156 0.000 2.327 520 M HA 0.554 5.034 4.480 -0.000 0.000 0.298 520 M C -1.185 175.163 176.300 0.080 0.000 1.065 520 M CA -0.530 54.790 55.300 0.033 0.000 0.916 520 M CB 2.088 34.819 32.600 0.219 0.000 1.630 520 M HN 0.374 nan 8.290 nan 0.000 0.442 521 V N 1.345 121.277 119.914 0.030 0.000 2.540 521 V HA 0.817 4.937 4.120 -0.000 0.000 0.302 521 V C -0.247 175.802 176.094 -0.075 0.000 1.035 521 V CA -0.397 61.902 62.300 -0.002 0.000 0.873 521 V CB 1.933 33.739 31.823 -0.029 0.000 0.992 521 V HN 0.958 nan 8.190 nan 0.000 0.428 522 T N 1.731 116.202 114.554 -0.140 0.000 2.762 522 T HA 0.334 4.684 4.350 -0.000 0.000 0.301 522 T C -1.460 173.135 174.700 -0.174 0.000 1.299 522 T CA -0.600 61.356 62.100 -0.239 0.000 1.005 522 T CB 1.974 70.531 68.868 -0.519 0.000 1.377 522 T HN 0.651 nan 8.240 nan 0.000 0.504 523 D N 1.552 121.858 120.400 -0.156 0.000 2.362 523 D HA 0.253 4.893 4.640 -0.000 0.000 0.242 523 D C -0.038 176.205 176.300 -0.095 0.000 1.132 523 D CA -0.190 53.751 54.000 -0.099 0.000 0.907 523 D CB 0.708 41.460 40.800 -0.080 0.000 1.195 523 D HN 0.238 nan 8.370 nan 0.000 0.429 524 L N 3.487 124.682 121.223 -0.047 0.000 2.416 524 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 524 L C -1.300 175.552 176.870 -0.030 0.000 1.161 524 L CA -1.035 53.791 54.840 -0.023 0.000 0.845 524 L CB -0.304 41.754 42.059 -0.002 0.000 1.119 524 L HN 0.286 nan 8.230 nan 0.000 0.464 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.088 63.100 -0.021 0.000 0.800 525 P CB 0.000 31.697 31.700 -0.005 0.000 0.726