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 3fbh_1_K 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 QNKDQNVGIK 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 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 3 A N 2.381 125.199 122.820 -0.003 0.000 2.483 3 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 3 A C 0.124 177.707 177.584 -0.002 0.000 1.070 3 A CA 0.290 52.329 52.037 0.003 0.000 0.770 3 A CB 0.145 19.150 19.000 0.007 0.000 1.008 3 A HN 0.599 nan 8.150 nan 0.000 0.497 4 K N 1.561 121.965 120.400 0.006 0.000 2.324 4 K HA 0.326 4.646 4.320 -0.000 0.000 0.253 4 K C -1.580 175.037 176.600 0.029 0.000 0.932 4 K CA -0.621 55.666 56.287 0.000 0.000 0.799 4 K CB 2.110 34.608 32.500 -0.004 0.000 1.154 4 K HN 0.749 nan 8.250 nan 0.000 0.425 5 D N 2.010 122.432 120.400 0.037 0.000 2.317 5 D HA 0.276 4.916 4.640 -0.000 0.000 0.234 5 D C -0.967 175.484 176.300 0.252 0.000 1.112 5 D CA -0.407 53.674 54.000 0.135 0.000 0.840 5 D CB 0.904 41.811 40.800 0.178 0.000 1.078 5 D HN 0.055 nan 8.370 nan 0.000 0.486 6 V N 4.482 124.500 119.914 0.173 0.000 2.513 6 V HA 0.508 4.628 4.120 -0.000 0.000 0.299 6 V C 0.155 176.186 176.094 -0.105 0.000 1.035 6 V CA -0.769 61.551 62.300 0.033 0.000 0.889 6 V CB 1.782 33.546 31.823 -0.098 0.000 0.988 6 V HN 0.412 nan 8.190 nan 0.000 0.440 7 K N 3.379 123.595 120.400 -0.307 0.000 2.426 7 K HA 0.726 5.046 4.320 -0.000 0.000 0.251 7 K C -1.650 174.685 176.600 -0.442 0.000 0.941 7 K CA -0.486 55.580 56.287 -0.367 0.000 0.808 7 K CB 2.578 34.694 32.500 -0.641 0.000 1.265 7 K HN 0.459 nan 8.250 nan 0.000 0.432 8 F N -0.067 119.837 119.950 -0.077 0.000 2.598 8 F HA 0.475 5.002 4.527 -0.000 0.000 0.327 8 F C 1.323 177.096 175.800 -0.046 0.000 1.057 8 F CA 0.063 58.040 58.000 -0.039 0.000 0.957 8 F CB 1.562 40.548 39.000 -0.022 0.000 1.278 8 F HN 0.807 nan 8.300 nan 0.000 0.484 9 G N 1.479 110.393 108.800 0.190 0.000 2.632 9 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.322 9 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.322 9 G C 1.141 176.065 174.900 0.040 0.000 1.326 9 G CA 0.819 45.976 45.100 0.095 0.000 0.986 9 G HN 0.783 nan 8.290 nan 0.000 0.541 10 N N 0.583 119.297 118.700 0.024 0.000 2.244 10 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 10 N C 1.868 177.367 175.510 -0.017 0.000 1.016 10 N CA 1.975 55.028 53.050 0.004 0.000 0.866 10 N CB -0.334 38.155 38.487 0.002 0.000 0.980 10 N HN 0.557 nan 8.380 nan 0.000 0.430 11 D N 0.525 120.911 120.400 -0.024 0.000 2.133 11 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 11 D C 1.766 177.993 176.300 -0.121 0.000 0.997 11 D CA 1.582 55.542 54.000 -0.066 0.000 0.840 11 D CB -0.257 40.504 40.800 -0.065 0.000 0.947 11 D HN 0.362 nan 8.370 nan 0.000 0.452 12 A N 0.190 122.939 122.820 -0.117 0.000 1.898 12 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 12 A C 2.327 179.873 177.584 -0.062 0.000 1.181 12 A CA 1.359 53.309 52.037 -0.145 0.000 0.620 12 A CB -0.444 18.492 19.000 -0.106 0.000 0.819 12 A HN 0.195 nan 8.150 nan 0.000 0.442 13 R N -0.262 120.221 120.500 -0.029 0.000 2.073 13 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 13 R C 2.188 178.484 176.300 -0.007 0.000 1.134 13 R CA 1.804 57.900 56.100 -0.006 0.000 0.952 13 R CB -0.813 29.488 30.300 0.002 0.000 0.850 13 R HN 0.583 nan 8.270 nan 0.000 0.433 14 V N -0.155 119.748 119.914 -0.018 0.000 2.392 14 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 14 V C 1.909 177.998 176.094 -0.007 0.000 1.059 14 V CA 1.562 63.854 62.300 -0.013 0.000 1.051 14 V CB -0.483 31.329 31.823 -0.019 0.000 0.658 14 V HN 0.132 nan 8.190 nan 0.000 0.455 15 K N -0.131 120.259 120.400 -0.018 0.000 2.097 15 K HA 0.008 4.328 4.320 -0.000 0.000 0.206 15 K C 2.182 178.809 176.600 0.046 0.000 1.049 15 K CA 1.896 58.192 56.287 0.016 0.000 0.933 15 K CB -0.407 32.100 32.500 0.012 0.000 0.717 15 K HN 0.525 nan 8.250 nan 0.000 0.442 16 M N 0.119 119.743 119.600 0.039 0.000 2.200 16 M HA -0.127 4.353 4.480 -0.000 0.000 0.265 16 M C 2.167 178.484 176.300 0.030 0.000 1.066 16 M CA 0.904 56.231 55.300 0.045 0.000 1.127 16 M CB -0.144 32.480 32.600 0.040 0.000 1.379 16 M HN 0.020 nan 8.290 nan 0.000 0.420 17 L N 0.212 121.447 121.223 0.020 0.000 2.072 17 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 17 L C 2.420 179.299 176.870 0.015 0.000 1.079 17 L CA 1.736 56.585 54.840 0.015 0.000 0.752 17 L CB -0.573 41.492 42.059 0.010 0.000 0.906 17 L HN 0.103 nan 8.230 nan 0.000 0.436 18 R N 0.005 120.514 120.500 0.015 0.000 2.096 18 R HA -0.109 4.231 4.340 -0.000 0.000 0.240 18 R C 2.143 178.454 176.300 0.019 0.000 1.139 18 R CA 1.813 57.923 56.100 0.016 0.000 0.952 18 R CB -1.350 28.960 30.300 0.018 0.000 0.854 18 R HN 0.464 nan 8.270 nan 0.000 0.436 19 G N 0.019 108.835 108.800 0.026 0.000 2.587 19 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 19 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 19 G C 1.484 176.393 174.900 0.016 0.000 1.240 19 G CA 1.885 47.000 45.100 0.024 0.000 0.794 19 G HN 0.408 nan 8.290 nan 0.000 0.580 20 V N -0.230 119.694 119.914 0.016 0.000 2.546 20 V HA -0.219 3.901 4.120 -0.000 0.000 0.254 20 V C 2.214 178.314 176.094 0.010 0.000 1.076 20 V CA 2.399 64.707 62.300 0.012 0.000 1.087 20 V CB -0.616 31.215 31.823 0.014 0.000 0.674 20 V HN 0.272 nan 8.190 nan 0.000 0.470 21 N N 0.771 119.477 118.700 0.010 0.000 2.250 21 N HA -0.015 4.725 4.740 -0.000 0.000 0.181 21 N C 1.829 177.343 175.510 0.006 0.000 1.017 21 N CA 1.649 54.704 53.050 0.008 0.000 0.866 21 N CB -0.312 38.179 38.487 0.008 0.000 0.985 21 N HN 0.527 nan 8.380 nan 0.000 0.429 22 V N 1.934 121.852 119.914 0.006 0.000 2.255 22 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 22 V C 2.451 178.546 176.094 0.002 0.000 1.051 22 V CA 1.182 63.484 62.300 0.004 0.000 1.018 22 V CB -0.715 31.111 31.823 0.005 0.000 0.641 22 V HN 0.185 nan 8.190 nan 0.000 0.445 23 L N 1.218 122.442 121.223 0.002 0.000 1.971 23 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 23 L C 2.479 179.349 176.870 -0.000 0.000 1.072 23 L CA 2.655 57.495 54.840 -0.000 0.000 0.758 23 L CB -1.323 40.736 42.059 -0.000 0.000 0.889 23 L HN 0.234 nan 8.230 nan 0.000 0.433 24 A N -0.832 121.989 122.820 0.002 0.000 1.883 24 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 24 A C 1.987 179.572 177.584 0.002 0.000 1.186 24 A CA 2.074 54.113 52.037 0.003 0.000 0.624 24 A CB -1.101 17.903 19.000 0.006 0.000 0.822 24 A HN 0.583 nan 8.150 nan 0.000 0.444 25 D N -0.413 119.988 120.400 0.003 0.000 2.264 25 D HA 0.090 4.730 4.640 -0.000 0.000 0.208 25 D C 1.917 178.217 176.300 0.001 0.000 0.966 25 D CA 1.195 55.197 54.000 0.002 0.000 0.864 25 D CB -0.140 40.662 40.800 0.002 0.000 0.933 25 D HN 0.455 nan 8.370 nan 0.000 0.499 26 A N -0.287 122.533 122.820 -0.001 0.000 2.081 26 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 26 A C 2.109 179.692 177.584 -0.003 0.000 1.158 26 A CA 0.425 52.461 52.037 -0.002 0.000 0.724 26 A CB 0.172 19.170 19.000 -0.003 0.000 0.826 26 A HN 0.143 nan 8.150 nan 0.000 0.463 27 V N 0.754 120.667 119.914 -0.003 0.000 2.795 27 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 27 V C 2.340 178.433 176.094 -0.002 0.000 1.069 27 V CA 1.590 63.888 62.300 -0.003 0.000 1.089 27 V CB -0.318 31.503 31.823 -0.004 0.000 0.756 27 V HN 0.772 nan 8.190 nan 0.000 0.471 28 K N 1.919 122.319 120.400 0.000 0.000 2.209 28 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 28 K C 1.852 178.453 176.600 0.002 0.000 1.048 28 K CA 1.868 58.156 56.287 0.002 0.000 0.940 28 K CB -0.812 31.691 32.500 0.004 0.000 0.729 28 K HN 0.477 nan 8.250 nan 0.000 0.451 29 V N 0.140 120.055 119.914 0.001 0.000 2.913 29 V HA -0.155 3.965 4.120 -0.000 0.000 0.260 29 V C 2.263 178.356 176.094 -0.000 0.000 1.098 29 V CA 1.797 64.098 62.300 0.001 0.000 1.121 29 V CB -1.119 30.704 31.823 -0.000 0.000 0.714 29 V HN 0.590 nan 8.190 nan 0.000 0.487 30 T N -2.577 111.976 114.554 -0.002 0.000 3.051 30 T HA 0.220 4.570 4.350 -0.000 0.000 0.255 30 T C 0.685 175.384 174.700 -0.003 0.000 1.085 30 T CA -0.095 62.003 62.100 -0.003 0.000 1.109 30 T CB -0.221 68.644 68.868 -0.005 0.000 0.921 30 T HN 0.334 nan 8.240 nan 0.000 0.488 31 L N 2.860 124.083 121.223 -0.001 0.000 2.543 31 L HA 0.438 4.778 4.340 -0.000 0.000 0.285 31 L C 1.013 177.883 176.870 -0.001 0.000 1.236 31 L CA 1.755 56.595 54.840 -0.000 0.000 0.871 31 L CB -0.768 41.292 42.059 0.003 0.000 1.121 31 L HN 0.808 nan 8.230 nan 0.000 0.501 32 G N 3.783 112.581 108.800 -0.003 0.000 2.814 32 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.677 32 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.677 32 G C -1.833 173.060 174.900 -0.011 0.000 1.429 32 G CA -0.415 44.681 45.100 -0.006 0.000 0.868 32 G HN 0.576 nan 8.290 nan 0.000 0.553 33 P HA -0.029 nan 4.420 nan 0.000 0.216 33 P C 1.204 178.494 177.300 -0.016 0.000 1.153 33 P CA 1.487 64.573 63.100 -0.024 0.000 0.858 33 P CB 0.104 31.780 31.700 -0.040 0.000 0.789 34 K N 0.247 120.641 120.400 -0.010 0.000 2.994 34 K HA 0.282 4.602 4.320 -0.000 0.000 0.231 34 K C 0.886 177.486 176.600 -0.000 0.000 1.174 34 K CA -0.095 56.190 56.287 -0.003 0.000 1.221 34 K CB -0.312 32.191 32.500 0.004 0.000 1.166 34 K HN 0.083 nan 8.250 nan 0.000 0.453 35 G N 0.954 109.753 108.800 -0.003 0.000 2.636 35 G HA2 0.156 4.116 3.960 -0.000 0.000 0.246 35 G HA3 0.156 4.116 3.960 -0.000 0.000 0.246 35 G C -0.096 174.802 174.900 -0.002 0.000 1.216 35 G CA -0.477 44.622 45.100 -0.002 0.000 0.854 35 G HN 0.143 nan 8.290 nan 0.000 0.572 36 R N 0.232 120.731 120.500 -0.001 0.000 2.589 36 R HA 0.204 4.544 4.340 -0.000 0.000 0.293 36 R C -0.140 176.158 176.300 -0.002 0.000 0.963 36 R CA -0.791 55.308 56.100 -0.001 0.000 0.905 36 R CB 1.291 31.591 30.300 -0.000 0.000 1.144 36 R HN 0.676 nan 8.270 nan 0.000 0.459 37 N N 0.116 118.814 118.700 -0.003 0.000 2.407 37 N HA 0.084 4.824 4.740 -0.000 0.000 0.250 37 N C -0.680 174.829 175.510 -0.003 0.000 1.236 37 N CA 0.226 53.274 53.050 -0.003 0.000 0.879 37 N CB 0.725 39.210 38.487 -0.003 0.000 1.088 37 N HN 0.114 nan 8.380 nan 0.000 0.450 38 V N 2.509 122.420 119.914 -0.004 0.000 2.588 38 V HA 0.261 4.381 4.120 -0.000 0.000 0.304 38 V C -0.330 175.762 176.094 -0.004 0.000 1.042 38 V CA -0.795 61.502 62.300 -0.004 0.000 0.877 38 V CB 1.956 33.776 31.823 -0.005 0.000 0.996 38 V HN 0.307 nan 8.190 nan 0.000 0.425 39 V N 6.555 126.467 119.914 -0.004 0.000 2.304 39 V HA 0.375 4.495 4.120 -0.000 0.000 0.269 39 V C -0.042 176.049 176.094 -0.005 0.000 1.036 39 V CA -0.305 61.993 62.300 -0.004 0.000 0.840 39 V CB 0.801 32.621 31.823 -0.003 0.000 1.036 39 V HN 0.606 nan 8.190 nan 0.000 0.466 40 L N 3.740 124.961 121.223 -0.004 0.000 2.290 40 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 40 L C 0.217 177.085 176.870 -0.003 0.000 1.078 40 L CA -0.322 54.515 54.840 -0.005 0.000 0.815 40 L CB 0.928 42.984 42.059 -0.005 0.000 1.162 40 L HN 0.483 nan 8.230 nan 0.000 0.435 41 D N 3.354 123.750 120.400 -0.007 0.000 2.304 41 D HA 0.201 4.841 4.640 -0.000 0.000 0.250 41 D C -0.638 175.659 176.300 -0.005 0.000 1.107 41 D CA -0.175 53.820 54.000 -0.008 0.000 0.885 41 D CB 0.892 41.681 40.800 -0.018 0.000 1.192 41 D HN 0.319 nan 8.370 nan 0.000 0.436 42 K N 1.776 122.179 120.400 0.005 0.000 2.206 42 K HA 0.235 4.555 4.320 -0.000 0.000 0.264 42 K C 1.175 177.768 176.600 -0.011 0.000 0.967 42 K CA -0.584 55.717 56.287 0.024 0.000 0.844 42 K CB 1.474 34.012 32.500 0.063 0.000 1.099 42 K HN 0.392 nan 8.250 nan 0.000 0.441 43 S N 1.839 117.498 115.700 -0.069 0.000 2.419 43 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 43 S C 0.403 174.766 174.600 -0.395 0.000 1.019 43 S CA 0.895 58.937 58.200 -0.263 0.000 0.982 43 S CB -0.375 62.588 63.200 -0.396 0.000 0.789 43 S HN 0.391 nan 8.310 nan 0.000 0.490 44 F N 2.150 122.096 119.950 -0.006 0.000 2.420 44 F HA 0.628 5.155 4.527 -0.000 0.000 0.342 44 F C 1.492 177.289 175.800 -0.005 0.000 1.113 44 F CA -0.062 57.935 58.000 -0.005 0.000 1.059 44 F CB 0.959 39.956 39.000 -0.005 0.000 1.128 44 F HN 0.333 nan 8.300 nan 0.000 0.475 45 G N 1.860 110.752 108.800 0.154 0.000 2.591 45 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.298 45 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.298 45 G C -0.187 174.743 174.900 0.051 0.000 1.195 45 G CA -0.189 44.965 45.100 0.090 0.000 0.989 45 G HN 1.149 nan 8.290 nan 0.000 0.551 46 A N 2.210 125.057 122.820 0.044 0.000 2.304 46 A HA 0.791 5.111 4.320 -0.000 0.000 0.301 46 A C -1.696 175.902 177.584 0.024 0.000 1.132 46 A CA -0.400 51.653 52.037 0.026 0.000 0.819 46 A CB 0.961 19.973 19.000 0.021 0.000 1.094 46 A HN 0.725 nan 8.150 nan 0.000 0.492 47 P HA 0.345 nan 4.420 nan 0.000 0.281 47 P C -0.402 176.903 177.300 0.008 0.000 1.249 47 P CA -0.114 62.992 63.100 0.009 0.000 0.810 47 P CB 0.792 32.493 31.700 0.002 0.000 1.008 48 T N 2.157 116.715 114.554 0.007 0.000 2.889 48 T HA 0.475 4.825 4.350 -0.000 0.000 0.291 48 T C 0.436 175.137 174.700 0.001 0.000 0.995 48 T CA -0.150 61.952 62.100 0.004 0.000 1.092 48 T CB 0.084 68.954 68.868 0.004 0.000 0.954 48 T HN 0.204 nan 8.240 nan 0.000 0.506 49 I N 2.209 122.779 120.570 -0.000 0.000 2.382 49 I HA 0.468 4.638 4.170 -0.000 0.000 0.286 49 I C 0.328 176.444 176.117 -0.003 0.000 1.002 49 I CA -0.543 60.756 61.300 -0.002 0.000 1.135 49 I CB 1.795 39.794 38.000 -0.001 0.000 1.288 49 I HN 0.515 nan 8.210 nan 0.000 0.448 50 T N 4.416 118.968 114.554 -0.004 0.000 2.906 50 T HA 0.440 4.790 4.350 -0.000 0.000 0.295 50 T C -0.087 174.609 174.700 -0.006 0.000 1.061 50 T CA -0.603 61.493 62.100 -0.006 0.000 1.000 50 T CB 1.579 70.443 68.868 -0.008 0.000 1.103 50 T HN 0.647 nan 8.240 nan 0.000 0.486 51 K N 2.168 122.564 120.400 -0.007 0.000 2.646 51 K HA 0.215 4.535 4.320 -0.000 0.000 0.206 51 K C -0.864 175.731 176.600 -0.009 0.000 1.069 51 K CA -0.348 55.934 56.287 -0.007 0.000 1.067 51 K CB 0.497 32.993 32.500 -0.007 0.000 0.807 51 K HN 0.475 nan 8.250 nan 0.000 0.482 52 D N -0.477 119.917 120.400 -0.010 0.000 2.280 52 D HA 0.175 4.815 4.640 -0.000 0.000 0.236 52 D C 1.143 177.435 176.300 -0.013 0.000 1.082 52 D CA -0.283 53.710 54.000 -0.013 0.000 0.834 52 D CB 1.573 42.364 40.800 -0.015 0.000 1.100 52 D HN 0.153 nan 8.370 nan 0.000 0.486 53 G N 2.271 111.063 108.800 -0.013 0.000 2.408 53 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 53 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 53 G C 1.402 176.292 174.900 -0.016 0.000 1.150 53 G CA 0.871 45.963 45.100 -0.012 0.000 0.776 53 G HN 0.468 nan 8.290 nan 0.000 0.542 54 V N 1.260 121.162 119.914 -0.020 0.000 2.270 54 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 54 V C 3.025 179.105 176.094 -0.024 0.000 1.043 54 V CA 2.126 64.411 62.300 -0.026 0.000 1.014 54 V CB -0.940 30.864 31.823 -0.032 0.000 0.645 54 V HN 0.345 nan 8.190 nan 0.000 0.447 55 S N 0.185 115.872 115.700 -0.022 0.000 2.407 55 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 55 S C 1.893 176.483 174.600 -0.017 0.000 1.036 55 S CA 1.704 59.892 58.200 -0.019 0.000 1.013 55 S CB -0.336 62.854 63.200 -0.016 0.000 0.820 55 S HN 0.427 nan 8.310 nan 0.000 0.476 56 V N 1.335 121.240 119.914 -0.016 0.000 2.331 56 V HA 0.020 4.140 4.120 -0.000 0.000 0.242 56 V C 2.540 178.625 176.094 -0.015 0.000 1.034 56 V CA 1.340 63.632 62.300 -0.013 0.000 1.027 56 V CB -1.175 30.642 31.823 -0.011 0.000 0.667 56 V HN 0.509 nan 8.190 nan 0.000 0.457 57 A N -0.259 122.551 122.820 -0.017 0.000 2.178 57 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 57 A C 2.345 179.916 177.584 -0.021 0.000 1.157 57 A CA 1.662 53.688 52.037 -0.018 0.000 0.689 57 A CB -0.599 18.389 19.000 -0.020 0.000 0.787 57 A HN 0.456 nan 8.150 nan 0.000 0.465 58 R N -0.662 119.825 120.500 -0.023 0.000 2.080 58 R HA -0.044 4.296 4.340 -0.000 0.000 0.222 58 R C 1.408 177.694 176.300 -0.023 0.000 1.107 58 R CA 1.058 57.142 56.100 -0.026 0.000 0.980 58 R CB -0.045 30.239 30.300 -0.027 0.000 0.879 58 R HN 0.383 nan 8.270 nan 0.000 0.439 59 E N 0.490 120.679 120.200 -0.019 0.000 2.358 59 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 59 E C 0.398 176.989 176.600 -0.015 0.000 1.010 59 E CA 0.240 56.631 56.400 -0.016 0.000 0.856 59 E CB 0.161 29.853 29.700 -0.013 0.000 0.795 59 E HN 0.272 nan 8.360 nan 0.000 0.504 60 I N 2.082 122.644 120.570 -0.015 0.000 2.587 60 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 60 I C 0.426 176.535 176.117 -0.014 0.000 1.134 60 I CA 0.593 61.885 61.300 -0.013 0.000 1.410 60 I CB 0.006 37.999 38.000 -0.011 0.000 1.392 60 I HN -0.018 nan 8.210 nan 0.000 0.545 61 E N 7.102 127.295 120.200 -0.013 0.000 2.343 61 E HA 0.394 4.744 4.350 -0.000 0.000 0.288 61 E C -1.799 174.794 176.600 -0.012 0.000 0.907 61 E CA -0.583 55.808 56.400 -0.014 0.000 0.792 61 E CB 1.727 31.418 29.700 -0.017 0.000 1.275 61 E HN 0.461 nan 8.360 nan 0.000 0.402 62 L N 3.587 124.804 121.223 -0.010 0.000 2.360 62 L HA 0.356 4.696 4.340 -0.000 0.000 0.271 62 L C 1.526 178.391 176.870 -0.008 0.000 1.057 62 L CA -0.274 54.562 54.840 -0.005 0.000 0.803 62 L CB 1.358 43.419 42.059 0.003 0.000 1.207 62 L HN 0.750 nan 8.230 nan 0.000 0.445 63 E N 0.606 120.804 120.200 -0.003 0.000 2.158 63 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 63 E C 0.351 176.950 176.600 -0.001 0.000 0.982 63 E CA 0.332 56.729 56.400 -0.005 0.000 0.823 63 E CB 0.360 30.059 29.700 -0.001 0.000 0.766 63 E HN 0.591 nan 8.360 nan 0.000 0.468 64 D N 0.665 121.073 120.400 0.014 0.000 2.317 64 D HA -0.030 4.610 4.640 -0.000 0.000 0.252 64 D C 0.727 177.035 176.300 0.013 0.000 1.174 64 D CA -0.101 53.921 54.000 0.036 0.000 0.866 64 D CB 1.024 41.866 40.800 0.070 0.000 1.127 64 D HN -0.055 nan 8.370 nan 0.000 0.467 65 K N 3.496 123.869 120.400 -0.044 0.000 2.020 65 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 65 K C 1.963 178.466 176.600 -0.163 0.000 1.050 65 K CA 1.354 57.539 56.287 -0.169 0.000 0.929 65 K CB -0.551 31.750 32.500 -0.332 0.000 0.714 65 K HN 0.513 nan 8.250 nan 0.000 0.443 66 F N 1.744 121.682 119.950 -0.021 0.000 2.171 66 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 66 F C 2.321 178.110 175.800 -0.019 0.000 1.090 66 F CA 1.279 59.265 58.000 -0.024 0.000 1.293 66 F CB -0.371 38.613 39.000 -0.027 0.000 1.013 66 F HN 0.192 nan 8.300 nan 0.000 0.486 67 E N -0.370 119.926 120.200 0.159 0.000 2.152 67 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 67 E C 1.781 178.408 176.600 0.044 0.000 0.983 67 E CA 0.900 57.351 56.400 0.084 0.000 0.818 67 E CB -0.276 29.461 29.700 0.062 0.000 0.758 67 E HN 0.289 nan 8.360 nan 0.000 0.467 68 N N 1.210 119.924 118.700 0.024 0.000 2.025 68 N HA -0.177 4.563 4.740 -0.000 0.000 0.194 68 N C 1.747 177.252 175.510 -0.008 0.000 1.044 68 N CA 1.541 54.589 53.050 -0.004 0.000 0.851 68 N CB -0.065 38.405 38.487 -0.028 0.000 1.036 68 N HN 0.043 nan 8.380 nan 0.000 0.422 69 M N -0.418 119.171 119.600 -0.018 0.000 2.089 69 M HA -0.139 4.341 4.480 -0.000 0.000 0.257 69 M C 2.206 178.512 176.300 0.010 0.000 1.071 69 M CA 2.018 57.308 55.300 -0.016 0.000 1.096 69 M CB -0.914 31.668 32.600 -0.029 0.000 1.330 69 M HN 0.360 nan 8.290 nan 0.000 0.403 70 G N -0.443 108.377 108.800 0.033 0.000 2.469 70 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 70 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 70 G C 1.553 176.464 174.900 0.018 0.000 1.136 70 G CA 1.234 46.354 45.100 0.033 0.000 0.759 70 G HN 0.584 nan 8.290 nan 0.000 0.562 71 A N -0.552 122.275 122.820 0.012 0.000 1.878 71 A HA 0.100 4.420 4.320 -0.000 0.000 0.213 71 A C 2.376 179.958 177.584 -0.003 0.000 1.192 71 A CA 1.487 53.527 52.037 0.004 0.000 0.619 71 A CB -0.293 18.709 19.000 0.003 0.000 0.837 71 A HN 0.237 nan 8.150 nan 0.000 0.446 72 Q N -0.097 119.698 119.800 -0.008 0.000 2.135 72 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 72 Q C 2.123 178.114 176.000 -0.014 0.000 0.981 72 Q CA 1.859 57.654 55.803 -0.014 0.000 0.856 72 Q CB -0.564 28.163 28.738 -0.019 0.000 0.902 72 Q HN 0.820 nan 8.270 nan 0.000 0.425 73 M N -0.081 119.514 119.600 -0.007 0.000 2.132 73 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 73 M C 2.292 178.590 176.300 -0.004 0.000 1.065 73 M CA 1.387 56.685 55.300 -0.004 0.000 1.122 73 M CB -0.602 32.001 32.600 0.006 0.000 1.365 73 M HN 0.083 nan 8.290 nan 0.000 0.411 74 V N -1.389 118.525 119.914 -0.001 0.000 2.453 74 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 74 V C 2.268 178.352 176.094 -0.016 0.000 1.048 74 V CA 1.641 63.940 62.300 -0.000 0.000 1.049 74 V CB -1.108 30.719 31.823 0.007 0.000 0.672 74 V HN 0.424 nan 8.190 nan 0.000 0.457 75 K N 0.536 120.925 120.400 -0.018 0.000 2.044 75 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 75 K C 2.403 178.977 176.600 -0.044 0.000 1.049 75 K CA 2.242 58.513 56.287 -0.028 0.000 0.927 75 K CB -0.266 32.220 32.500 -0.023 0.000 0.713 75 K HN 0.685 nan 8.250 nan 0.000 0.443 76 E N 0.099 120.273 120.200 -0.043 0.000 2.077 76 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 76 E C 1.653 178.195 176.600 -0.096 0.000 0.989 76 E CA 1.314 57.679 56.400 -0.059 0.000 0.800 76 E CB 0.210 29.884 29.700 -0.043 0.000 0.746 76 E HN 0.173 nan 8.360 nan 0.000 0.452 77 V N 0.734 120.597 119.914 -0.085 0.000 3.380 77 V HA -0.046 4.074 4.120 -0.000 0.000 0.268 77 V C 2.051 178.024 176.094 -0.203 0.000 1.168 77 V CA 1.133 63.349 62.300 -0.140 0.000 1.156 77 V CB -0.052 31.757 31.823 -0.024 0.000 0.785 77 V HN 0.305 nan 8.190 nan 0.000 0.487 78 A N 0.800 123.546 122.820 -0.123 0.000 2.030 78 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 78 A C 2.398 179.903 177.584 -0.131 0.000 1.164 78 A CA 1.281 53.260 52.037 -0.097 0.000 0.697 78 A CB -0.283 18.691 19.000 -0.045 0.000 0.827 78 A HN 0.622 nan 8.150 nan 0.000 0.457 79 S N -0.199 115.413 115.700 -0.145 0.000 2.496 79 S HA 0.009 4.479 4.470 -0.000 0.000 0.224 79 S C 1.545 176.037 174.600 -0.179 0.000 0.996 79 S CA 0.919 59.041 58.200 -0.130 0.000 0.927 79 S CB -0.178 62.965 63.200 -0.096 0.000 0.774 79 S HN 0.548 nan 8.310 nan 0.000 0.524 80 K N 1.197 121.405 120.400 -0.320 0.000 2.366 80 K HA 0.282 4.602 4.320 -0.000 0.000 0.198 80 K C 2.110 178.478 176.600 -0.387 0.000 1.044 80 K CA 0.746 56.783 56.287 -0.416 0.000 0.973 80 K CB -0.212 31.860 32.500 -0.714 0.000 0.767 80 K HN 0.492 nan 8.250 nan 0.000 0.475 81 A N 0.863 123.479 122.820 -0.339 0.000 2.072 81 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 81 A C 1.671 179.257 177.584 0.003 0.000 1.156 81 A CA 1.107 53.126 52.037 -0.031 0.000 0.701 81 A CB -0.286 18.746 19.000 0.053 0.000 0.816 81 A HN 0.269 nan 8.150 nan 0.000 0.458 82 N N -0.801 117.869 118.700 -0.049 0.000 2.392 82 N HA -0.049 4.691 4.740 -0.000 0.000 0.177 82 N C 0.829 176.317 175.510 -0.037 0.000 1.066 82 N CA 0.574 53.602 53.050 -0.037 0.000 0.895 82 N CB 0.151 38.605 38.487 -0.056 0.000 0.988 82 N HN 0.258 nan 8.380 nan 0.000 0.457 83 D N -0.068 120.308 120.400 -0.040 0.000 2.137 83 D HA 0.018 4.658 4.640 -0.000 0.000 0.202 83 D C 1.575 177.906 176.300 0.051 0.000 0.970 83 D CA 0.835 54.826 54.000 -0.014 0.000 0.837 83 D CB -0.150 40.625 40.800 -0.042 0.000 0.981 83 D HN 0.314 nan 8.370 nan 0.000 0.475 84 A N -0.093 122.769 122.820 0.069 0.000 2.081 84 A HA 0.394 4.714 4.320 -0.000 0.000 0.214 84 A C 1.900 179.553 177.584 0.114 0.000 1.158 84 A CA 1.376 53.476 52.037 0.105 0.000 0.724 84 A CB 0.142 19.229 19.000 0.145 0.000 0.826 84 A HN 0.211 nan 8.150 nan 0.000 0.463 85 A N -2.669 120.219 122.820 0.113 0.000 1.988 85 A HA 0.494 4.814 4.320 -0.000 0.000 0.198 85 A C 1.762 179.438 177.584 0.154 0.000 1.507 85 A CA 1.256 53.362 52.037 0.114 0.000 0.901 85 A CB -0.147 18.907 19.000 0.089 0.000 1.007 85 A HN 1.636 nan 8.150 nan 0.000 0.502 86 G N -1.361 107.492 108.800 0.088 0.000 2.316 86 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.203 86 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.203 86 G C -0.313 174.575 174.900 -0.021 0.000 0.999 86 G CA 0.428 45.537 45.100 0.015 0.000 0.649 86 G HN 0.825 nan 8.290 nan 0.000 0.489 87 D N -1.496 118.912 120.400 0.013 0.000 2.736 87 D HA 0.611 5.251 4.640 -0.000 0.000 0.223 87 D C 0.631 176.940 176.300 0.016 0.000 1.231 87 D CA 0.776 54.778 54.000 0.003 0.000 0.818 87 D CB 1.075 41.879 40.800 0.007 0.000 1.587 87 D HN 1.196 nan 8.370 nan 0.000 0.463 88 G N 0.952 109.757 108.800 0.009 0.000 2.870 88 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 88 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 88 G C 0.994 175.902 174.900 0.013 0.000 0.973 88 G CA 0.437 45.549 45.100 0.020 0.000 0.807 88 G HN 0.502 nan 8.290 nan 0.000 0.573 89 T N 1.491 116.041 114.554 -0.006 0.000 2.737 89 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 89 T C 2.643 177.340 174.700 -0.005 0.000 1.038 89 T CA 2.361 64.452 62.100 -0.015 0.000 1.144 89 T CB -0.477 68.374 68.868 -0.028 0.000 0.866 89 T HN 0.387 nan 8.240 nan 0.000 0.434 90 T N 2.186 116.737 114.554 -0.004 0.000 2.607 90 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 90 T C 2.265 176.969 174.700 0.006 0.000 1.049 90 T CA 1.954 64.053 62.100 -0.001 0.000 1.162 90 T CB -1.081 67.786 68.868 -0.002 0.000 0.863 90 T HN 0.397 nan 8.240 nan 0.000 0.424 91 T N 2.236 116.797 114.554 0.011 0.000 2.652 91 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 91 T C 2.461 177.175 174.700 0.024 0.000 1.039 91 T CA 1.373 63.484 62.100 0.018 0.000 1.153 91 T CB -0.827 68.054 68.868 0.022 0.000 0.863 91 T HN 0.472 nan 8.240 nan 0.000 0.428 92 A N 1.494 124.333 122.820 0.031 0.000 1.917 92 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 92 A C 2.561 180.165 177.584 0.032 0.000 1.182 92 A CA 2.326 54.389 52.037 0.044 0.000 0.633 92 A CB -1.414 17.621 19.000 0.058 0.000 0.819 92 A HN 0.530 nan 8.150 nan 0.000 0.448 93 T N -0.011 114.554 114.554 0.019 0.000 2.746 93 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 93 T C 1.989 176.698 174.700 0.015 0.000 1.039 93 T CA 1.992 64.100 62.100 0.013 0.000 1.142 93 T CB -0.904 67.967 68.868 0.005 0.000 0.866 93 T HN 0.708 nan 8.240 nan 0.000 0.444 94 V N 0.558 120.481 119.914 0.014 0.000 2.307 94 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 94 V C 2.339 178.443 176.094 0.016 0.000 1.045 94 V CA 1.324 63.632 62.300 0.013 0.000 1.024 94 V CB -1.281 30.549 31.823 0.012 0.000 0.651 94 V HN 0.408 nan 8.190 nan 0.000 0.449 95 L N 0.858 122.093 121.223 0.021 0.000 2.013 95 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 95 L C 3.064 179.948 176.870 0.024 0.000 1.073 95 L CA 2.107 56.961 54.840 0.023 0.000 0.753 95 L CB -0.931 41.145 42.059 0.030 0.000 0.890 95 L HN 0.462 nan 8.230 nan 0.000 0.432 96 A N -1.033 121.803 122.820 0.027 0.000 1.930 96 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 96 A C 2.239 179.836 177.584 0.021 0.000 1.175 96 A CA 1.637 53.690 52.037 0.027 0.000 0.627 96 A CB -0.507 18.511 19.000 0.031 0.000 0.815 96 A HN 0.490 nan 8.150 nan 0.000 0.443 97 Q N -0.484 119.327 119.800 0.017 0.000 2.002 97 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 97 Q C 2.310 178.319 176.000 0.014 0.000 0.988 97 Q CA 1.821 57.632 55.803 0.014 0.000 0.843 97 Q CB -0.397 28.348 28.738 0.012 0.000 0.908 97 Q HN 0.593 nan 8.270 nan 0.000 0.420 98 A N 0.745 123.573 122.820 0.013 0.000 1.927 98 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 98 A C 1.978 179.570 177.584 0.012 0.000 1.185 98 A CA 1.924 53.968 52.037 0.012 0.000 0.639 98 A CB -0.905 18.102 19.000 0.013 0.000 0.820 98 A HN 0.520 nan 8.150 nan 0.000 0.451 99 I N -0.703 119.876 120.570 0.015 0.000 2.163 99 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 99 I C 2.301 178.426 176.117 0.014 0.000 1.081 99 I CA 1.402 62.710 61.300 0.015 0.000 1.353 99 I CB -0.423 37.587 38.000 0.017 0.000 1.054 99 I HN 0.262 nan 8.210 nan 0.000 0.407 100 I N 0.515 121.094 120.570 0.015 0.000 2.335 100 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 100 I C 2.490 178.615 176.117 0.012 0.000 1.129 100 I CA 1.443 62.752 61.300 0.015 0.000 1.402 100 I CB -0.576 37.434 38.000 0.016 0.000 1.069 100 I HN 0.293 nan 8.210 nan 0.000 0.424 101 T N -0.152 114.409 114.554 0.011 0.000 2.698 101 T HA -0.110 4.240 4.350 -0.000 0.000 0.260 101 T C 1.841 176.546 174.700 0.008 0.000 1.044 101 T CA 0.967 63.073 62.100 0.009 0.000 1.149 101 T CB -0.147 68.726 68.868 0.008 0.000 0.864 101 T HN 0.211 nan 8.240 nan 0.000 0.419 102 E N 0.931 121.136 120.200 0.008 0.000 2.097 102 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 102 E C 2.448 179.053 176.600 0.008 0.000 1.000 102 E CA 1.422 57.826 56.400 0.008 0.000 0.804 102 E CB -0.924 28.781 29.700 0.008 0.000 0.740 102 E HN 0.568 nan 8.360 nan 0.000 0.454 103 G N 0.782 109.588 108.800 0.009 0.000 2.394 103 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 103 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 103 G C 1.742 176.648 174.900 0.010 0.000 1.176 103 G CA 0.429 45.535 45.100 0.010 0.000 0.786 103 G HN 0.196 nan 8.290 nan 0.000 0.533 104 L N 0.024 121.253 121.223 0.010 0.000 2.131 104 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 104 L C 2.897 179.771 176.870 0.007 0.000 1.092 104 L CA 1.037 55.883 54.840 0.009 0.000 0.759 104 L CB -0.325 41.739 42.059 0.009 0.000 0.903 104 L HN 0.202 nan 8.230 nan 0.000 0.435 105 K N 0.150 120.554 120.400 0.006 0.000 2.113 105 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 105 K C 2.060 178.663 176.600 0.005 0.000 1.047 105 K CA 1.579 57.869 56.287 0.005 0.000 0.928 105 K CB -0.160 32.343 32.500 0.005 0.000 0.716 105 K HN 0.327 nan 8.250 nan 0.000 0.446 106 A N 0.287 123.111 122.820 0.006 0.000 2.081 106 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 106 A C 2.117 179.704 177.584 0.006 0.000 1.158 106 A CA 0.385 52.426 52.037 0.006 0.000 0.724 106 A CB 0.086 19.090 19.000 0.006 0.000 0.826 106 A HN 0.025 nan 8.150 nan 0.000 0.463 107 V N -0.117 119.801 119.914 0.007 0.000 2.273 107 V HA -0.141 3.979 4.120 -0.000 0.000 0.242 107 V C 3.024 179.122 176.094 0.007 0.000 1.035 107 V CA 1.709 64.014 62.300 0.009 0.000 1.013 107 V CB -1.256 30.573 31.823 0.011 0.000 0.652 107 V HN 0.521 nan 8.190 nan 0.000 0.452 108 A N 0.243 123.067 122.820 0.006 0.000 2.042 108 A HA -0.217 4.103 4.320 -0.000 0.000 0.222 108 A C 2.283 179.869 177.584 0.003 0.000 1.167 108 A CA 2.260 54.300 52.037 0.005 0.000 0.649 108 A CB -0.745 18.257 19.000 0.003 0.000 0.809 108 A HN 0.636 nan 8.150 nan 0.000 0.457 109 A N -2.252 120.571 122.820 0.004 0.000 2.119 109 A HA 0.358 4.678 4.320 -0.000 0.000 0.217 109 A C 1.957 179.543 177.584 0.003 0.000 1.153 109 A CA 1.496 53.534 52.037 0.003 0.000 0.692 109 A CB -0.722 18.280 19.000 0.003 0.000 0.799 109 A HN 1.936 nan 8.150 nan 0.000 0.458 110 G N -2.522 106.280 108.800 0.004 0.000 2.184 110 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.206 110 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.206 110 G C 0.200 175.103 174.900 0.004 0.000 0.995 110 G CA 0.107 45.209 45.100 0.004 0.000 0.651 110 G HN 0.329 nan 8.290 nan 0.000 0.511 111 M N 0.923 120.526 119.600 0.005 0.000 2.245 111 M HA 0.176 4.656 4.480 -0.000 0.000 0.330 111 M C 0.751 177.055 176.300 0.007 0.000 1.098 111 M CA -0.215 55.088 55.300 0.005 0.000 1.172 111 M CB 0.313 32.917 32.600 0.005 0.000 1.467 111 M HN 0.191 nan 8.290 nan 0.000 0.454 112 N N 2.925 121.628 118.700 0.007 0.000 2.431 112 N HA 0.072 4.812 4.740 -0.000 0.000 0.265 112 N C -2.101 173.415 175.510 0.009 0.000 1.184 112 N CA -1.089 51.966 53.050 0.008 0.000 0.943 112 N CB 1.145 39.636 38.487 0.007 0.000 1.080 112 N HN 0.295 nan 8.380 nan 0.000 0.477 113 P HA -0.110 nan 4.420 nan 0.000 0.215 113 P C 1.739 179.046 177.300 0.012 0.000 1.157 113 P CA 1.256 64.364 63.100 0.012 0.000 0.868 113 P CB 0.205 31.914 31.700 0.016 0.000 0.788 114 M N -0.725 118.882 119.600 0.012 0.000 2.149 114 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 114 M C 1.251 177.556 176.300 0.008 0.000 1.064 114 M CA 1.736 57.043 55.300 0.010 0.000 1.102 114 M CB -1.554 31.052 32.600 0.010 0.000 1.369 114 M HN 0.019 nan 8.290 nan 0.000 0.408 115 D N 0.141 120.545 120.400 0.008 0.000 2.162 115 D HA 0.042 4.682 4.640 -0.000 0.000 0.205 115 D C 2.327 178.631 176.300 0.006 0.000 0.964 115 D CA 0.640 54.644 54.000 0.006 0.000 0.847 115 D CB -0.242 40.562 40.800 0.006 0.000 0.988 115 D HN 0.280 nan 8.370 nan 0.000 0.480 116 L N 1.224 122.452 121.223 0.007 0.000 1.963 116 L HA -0.269 4.071 4.340 -0.000 0.000 0.220 116 L C 2.565 179.440 176.870 0.008 0.000 1.076 116 L CA 1.643 56.488 54.840 0.008 0.000 0.772 116 L CB -0.507 41.557 42.059 0.009 0.000 0.892 116 L HN 0.011 nan 8.230 nan 0.000 0.435 117 K N 0.138 120.543 120.400 0.009 0.000 2.015 117 K HA -0.314 4.006 4.320 -0.000 0.000 0.220 117 K C 2.323 178.926 176.600 0.006 0.000 1.055 117 K CA 2.209 58.501 56.287 0.009 0.000 0.951 117 K CB -0.237 32.269 32.500 0.010 0.000 0.725 117 K HN 0.088 nan 8.250 nan 0.000 0.449 118 R N -0.495 120.008 120.500 0.005 0.000 2.117 118 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 118 R C 2.365 178.666 176.300 0.003 0.000 1.143 118 R CA 1.714 57.816 56.100 0.003 0.000 0.968 118 R CB -0.558 29.744 30.300 0.003 0.000 0.863 118 R HN 0.523 nan 8.270 nan 0.000 0.444 119 G N 0.548 109.350 108.800 0.004 0.000 2.404 119 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 119 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 119 G C 1.401 176.304 174.900 0.004 0.000 1.174 119 G CA 0.829 45.931 45.100 0.004 0.000 0.780 119 G HN 0.247 nan 8.290 nan 0.000 0.537 120 I N 0.907 121.479 120.570 0.005 0.000 2.179 120 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 120 I C 2.367 178.484 176.117 0.002 0.000 1.088 120 I CA 1.135 62.438 61.300 0.005 0.000 1.357 120 I CB -0.336 37.668 38.000 0.007 0.000 1.051 120 I HN 0.026 nan 8.210 nan 0.000 0.409 121 D N 1.325 121.725 120.400 0.000 0.000 2.108 121 D HA -0.256 4.384 4.640 -0.000 0.000 0.190 121 D C 2.059 178.356 176.300 -0.006 0.000 0.995 121 D CA 1.507 55.505 54.000 -0.004 0.000 0.834 121 D CB -0.387 40.410 40.800 -0.004 0.000 0.967 121 D HN 0.223 nan 8.370 nan 0.000 0.446 122 K N 0.496 120.894 120.400 -0.003 0.000 2.127 122 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 122 K C 1.977 178.576 176.600 -0.002 0.000 1.047 122 K CA 1.520 57.805 56.287 -0.003 0.000 0.927 122 K CB -0.138 32.362 32.500 -0.001 0.000 0.716 122 K HN 0.080 nan 8.250 nan 0.000 0.450 123 A N 0.275 123.095 122.820 -0.000 0.000 1.972 123 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 123 A C 2.134 179.718 177.584 -0.000 0.000 1.169 123 A CA 1.634 53.672 52.037 0.001 0.000 0.635 123 A CB -0.313 18.689 19.000 0.003 0.000 0.810 123 A HN 0.196 nan 8.150 nan 0.000 0.446 124 V N -0.851 119.060 119.914 -0.004 0.000 2.649 124 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 124 V C 2.613 178.700 176.094 -0.013 0.000 1.054 124 V CA 2.097 64.392 62.300 -0.008 0.000 1.073 124 V CB -0.828 30.987 31.823 -0.014 0.000 0.699 124 V HN 0.577 nan 8.190 nan 0.000 0.463 125 T N 0.820 115.367 114.554 -0.013 0.000 2.777 125 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 125 T C 2.068 176.763 174.700 -0.008 0.000 1.040 125 T CA 1.603 63.695 62.100 -0.013 0.000 1.141 125 T CB -0.353 68.508 68.868 -0.012 0.000 0.868 125 T HN 0.530 nan 8.240 nan 0.000 0.444 126 A N 1.217 124.035 122.820 -0.004 0.000 2.015 126 A HA 0.258 4.578 4.320 -0.000 0.000 0.219 126 A C 2.560 180.145 177.584 0.001 0.000 1.163 126 A CA 1.607 53.644 52.037 -0.001 0.000 0.646 126 A CB -0.881 18.120 19.000 0.001 0.000 0.806 126 A HN 0.495 nan 8.150 nan 0.000 0.448 127 A N -0.376 122.444 122.820 0.000 0.000 1.855 127 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 127 A C 2.178 179.763 177.584 0.002 0.000 1.191 127 A CA 1.675 53.714 52.037 0.003 0.000 0.613 127 A CB -1.043 17.959 19.000 0.002 0.000 0.829 127 A HN 0.395 nan 8.150 nan 0.000 0.442 128 V N 0.127 120.039 119.914 -0.004 0.000 2.324 128 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 128 V C 2.576 178.668 176.094 -0.002 0.000 1.060 128 V CA 2.514 64.811 62.300 -0.006 0.000 1.042 128 V CB -0.889 30.925 31.823 -0.015 0.000 0.650 128 V HN 0.563 nan 8.190 nan 0.000 0.450 129 E N 0.047 120.246 120.200 -0.002 0.000 2.051 129 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 129 E C 2.182 178.785 176.600 0.005 0.000 0.991 129 E CA 1.337 57.738 56.400 0.001 0.000 0.799 129 E CB -0.249 29.451 29.700 0.001 0.000 0.748 129 E HN 0.605 nan 8.360 nan 0.000 0.449 130 E N -0.735 119.469 120.200 0.006 0.000 2.427 130 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 130 E C 1.452 178.059 176.600 0.012 0.000 1.028 130 E CA 0.099 56.505 56.400 0.010 0.000 0.864 130 E CB -0.001 29.706 29.700 0.011 0.000 0.813 130 E HN 0.133 nan 8.360 nan 0.000 0.514 131 L N 0.149 121.378 121.223 0.010 0.000 2.209 131 L HA 0.052 4.392 4.340 -0.000 0.000 0.207 131 L C 1.602 178.478 176.870 0.011 0.000 1.094 131 L CA 1.418 56.265 54.840 0.011 0.000 0.790 131 L CB 0.026 42.091 42.059 0.009 0.000 0.932 131 L HN -0.051 nan 8.230 nan 0.000 0.447 132 K N -0.894 119.510 120.400 0.008 0.000 2.076 132 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 132 K C 2.116 178.722 176.600 0.009 0.000 1.051 132 K CA 1.026 57.317 56.287 0.008 0.000 0.949 132 K CB -0.308 32.195 32.500 0.005 0.000 0.726 132 K HN 0.335 nan 8.250 nan 0.000 0.443 133 A N 1.865 124.691 122.820 0.010 0.000 1.892 133 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 133 A C 2.089 179.682 177.584 0.014 0.000 1.188 133 A CA 1.344 53.388 52.037 0.011 0.000 0.631 133 A CB -0.758 18.249 19.000 0.011 0.000 0.822 133 A HN 0.272 nan 8.150 nan 0.000 0.447 134 L N -0.237 120.996 121.223 0.017 0.000 2.362 134 L HA -0.025 4.315 4.340 -0.000 0.000 0.219 134 L C 1.194 178.076 176.870 0.019 0.000 1.134 134 L CA 0.359 55.212 54.840 0.021 0.000 0.807 134 L CB -0.124 41.950 42.059 0.023 0.000 0.927 134 L HN 0.364 nan 8.230 nan 0.000 0.447 135 S N -0.282 115.427 115.700 0.015 0.000 2.516 135 S HA 0.165 4.635 4.470 -0.000 0.000 0.282 135 S C -0.192 174.416 174.600 0.013 0.000 1.286 135 S CA -0.583 57.626 58.200 0.014 0.000 1.066 135 S CB 0.555 63.761 63.200 0.011 0.000 0.884 135 S HN 0.043 nan 8.310 nan 0.000 0.491 136 V N 8.892 128.814 119.914 0.013 0.000 2.383 136 V HA 0.350 4.470 4.120 -0.000 0.000 0.275 136 V C -2.091 174.009 176.094 0.010 0.000 1.036 136 V CA -1.972 60.335 62.300 0.012 0.000 0.889 136 V CB 0.951 32.782 31.823 0.014 0.000 0.985 136 V HN 0.721 nan 8.190 nan 0.000 0.459 137 P HA 0.116 nan 4.420 nan 0.000 0.268 137 P C -0.544 176.760 177.300 0.006 0.000 1.204 137 P CA -0.155 62.949 63.100 0.006 0.000 0.768 137 P CB 0.418 32.121 31.700 0.006 0.000 0.842 138 C N 3.731 123.034 119.300 0.004 0.000 2.357 138 C HA 0.451 4.911 4.460 -0.000 0.000 0.300 138 C C 1.240 176.230 174.990 0.001 0.000 1.074 138 C CA 0.211 59.231 59.018 0.003 0.000 1.566 138 C CB -1.582 26.160 27.740 0.003 0.000 1.791 138 C HN 0.583 nan 8.230 nan 0.000 0.415 139 S N 1.790 117.490 115.700 0.001 0.000 3.066 139 S HA 0.116 4.586 4.470 -0.000 0.000 0.235 139 S C 0.329 174.929 174.600 -0.001 0.000 0.995 139 S CA 0.058 58.258 58.200 -0.000 0.000 0.835 139 S CB -0.217 62.983 63.200 0.000 0.000 0.814 139 S HN 0.938 nan 8.310 nan 0.000 0.594 140 D N 2.363 122.763 120.400 0.000 0.000 2.390 140 D HA 0.001 4.641 4.640 -0.000 0.000 0.236 140 D C 0.755 177.054 176.300 -0.001 0.000 1.189 140 D CA 0.476 54.476 54.000 -0.000 0.000 0.887 140 D CB 0.548 41.348 40.800 0.001 0.000 1.198 140 D HN 0.281 nan 8.370 nan 0.000 0.444 141 S N 0.132 115.831 115.700 -0.001 0.000 2.603 141 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 141 S C 1.475 176.075 174.600 -0.001 0.000 0.972 141 S CA 0.402 58.601 58.200 -0.002 0.000 0.935 141 S CB -0.161 63.037 63.200 -0.002 0.000 0.769 141 S HN 0.642 nan 8.310 nan 0.000 0.536 142 K N 1.626 122.026 120.400 -0.000 0.000 2.076 142 K HA 0.177 4.497 4.320 -0.000 0.000 0.204 142 K C 2.210 178.811 176.600 0.001 0.000 1.051 142 K CA 0.917 57.204 56.287 0.000 0.000 0.949 142 K CB -0.453 32.048 32.500 0.001 0.000 0.726 142 K HN 0.383 nan 8.250 nan 0.000 0.443 143 A N 1.065 123.886 122.820 0.001 0.000 2.014 143 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 143 A C 1.974 179.558 177.584 0.001 0.000 1.163 143 A CA 0.790 52.828 52.037 0.002 0.000 0.652 143 A CB -0.391 18.611 19.000 0.003 0.000 0.808 143 A HN 0.308 nan 8.150 nan 0.000 0.449 144 I N -0.245 120.326 120.570 0.000 0.000 2.252 144 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 144 I C 2.915 179.032 176.117 -0.000 0.000 1.102 144 I CA 1.048 62.348 61.300 -0.001 0.000 1.385 144 I CB -0.231 37.768 38.000 -0.002 0.000 1.064 144 I HN 0.347 nan 8.210 nan 0.000 0.414 145 A N 0.058 122.877 122.820 -0.000 0.000 1.930 145 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 145 A C 2.253 179.837 177.584 0.000 0.000 1.175 145 A CA 1.331 53.368 52.037 -0.000 0.000 0.627 145 A CB -0.496 18.503 19.000 -0.000 0.000 0.815 145 A HN 0.438 nan 8.150 nan 0.000 0.443 146 Q N -0.406 119.394 119.800 0.000 0.000 2.020 146 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 146 Q C 2.203 178.203 176.000 0.000 0.000 0.982 146 Q CA 1.803 57.606 55.803 0.000 0.000 0.838 146 Q CB -0.445 28.293 28.738 0.001 0.000 0.899 146 Q HN 0.476 nan 8.270 nan 0.000 0.423 147 V N 0.726 120.641 119.914 0.001 0.000 2.252 147 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 147 V C 2.296 178.392 176.094 0.004 0.000 1.056 147 V CA 2.106 64.408 62.300 0.003 0.000 1.022 147 V CB -1.415 30.410 31.823 0.004 0.000 0.641 147 V HN 0.602 nan 8.190 nan 0.000 0.445 148 G N -0.880 107.922 108.800 0.003 0.000 2.475 148 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 148 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 148 G C 1.635 176.537 174.900 0.003 0.000 1.125 148 G CA 1.652 46.755 45.100 0.004 0.000 0.755 148 G HN 0.504 nan 8.290 nan 0.000 0.565 149 T N 0.783 115.338 114.554 0.001 0.000 2.896 149 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 149 T C 2.359 177.058 174.700 -0.002 0.000 1.050 149 T CA 0.569 62.669 62.100 -0.001 0.000 1.140 149 T CB -0.025 68.842 68.868 -0.002 0.000 0.877 149 T HN 0.270 nan 8.240 nan 0.000 0.457 150 I N 0.897 121.466 120.570 -0.002 0.000 2.406 150 I HA -0.073 4.097 4.170 -0.000 0.000 0.249 150 I C 2.466 178.581 176.117 -0.002 0.000 1.122 150 I CA 0.726 62.023 61.300 -0.004 0.000 1.431 150 I CB -0.180 37.818 38.000 -0.005 0.000 1.087 150 I HN 0.147 nan 8.210 nan 0.000 0.424 151 S N 0.855 116.557 115.700 0.002 0.000 2.423 151 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 151 S C 1.790 176.394 174.600 0.005 0.000 1.014 151 S CA 1.144 59.347 58.200 0.006 0.000 0.965 151 S CB -0.101 63.107 63.200 0.014 0.000 0.785 151 S HN 0.505 nan 8.310 nan 0.000 0.495 152 A N 1.014 123.837 122.820 0.004 0.000 2.460 152 A HA 0.424 4.744 4.320 -0.000 0.000 0.258 152 A C 0.502 178.085 177.584 -0.001 0.000 1.300 152 A CA -0.312 51.727 52.037 0.003 0.000 0.913 152 A CB -0.385 18.618 19.000 0.004 0.000 1.031 152 A HN 0.374 nan 8.150 nan 0.000 0.512 153 N N -0.296 118.401 118.700 -0.004 0.000 2.729 153 N HA -0.187 4.553 4.740 -0.000 0.000 0.259 153 N C 0.163 175.668 175.510 -0.007 0.000 1.119 153 N CA 0.930 53.976 53.050 -0.007 0.000 0.679 153 N CB -1.988 36.495 38.487 -0.008 0.000 0.892 153 N HN 0.439 nan 8.380 nan 0.000 0.558 154 S N -0.962 114.734 115.700 -0.007 0.000 3.473 154 S HA -0.256 4.214 4.470 -0.000 0.000 0.339 154 S C -0.238 174.359 174.600 -0.006 0.000 1.148 154 S CA 1.148 59.344 58.200 -0.007 0.000 0.969 154 S CB -0.884 62.310 63.200 -0.010 0.000 0.936 154 S HN 0.805 nan 8.310 nan 0.000 0.530 155 D N 0.781 121.179 120.400 -0.004 0.000 2.412 155 D HA 0.357 4.997 4.640 -0.000 0.000 0.224 155 D C 0.957 177.256 176.300 -0.002 0.000 1.093 155 D CA -0.487 53.512 54.000 -0.003 0.000 0.850 155 D CB 0.695 41.493 40.800 -0.002 0.000 1.046 155 D HN 0.359 nan 8.370 nan 0.000 0.507 156 E N 1.186 121.385 120.200 -0.002 0.000 2.204 156 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 156 E C 1.447 178.046 176.600 -0.001 0.000 0.989 156 E CA 0.919 57.318 56.400 -0.002 0.000 0.824 156 E CB 0.192 29.891 29.700 -0.002 0.000 0.756 156 E HN 0.530 nan 8.360 nan 0.000 0.477 157 T N 0.760 115.313 114.554 -0.001 0.000 2.721 157 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 157 T C 2.026 176.726 174.700 0.000 0.000 1.038 157 T CA 1.360 63.459 62.100 -0.001 0.000 1.145 157 T CB -0.208 68.660 68.868 -0.001 0.000 0.858 157 T HN 0.028 nan 8.240 nan 0.000 0.459 158 V N 0.927 120.842 119.914 0.001 0.000 2.725 158 V HA 0.113 4.233 4.120 -0.000 0.000 0.247 158 V C 2.883 178.978 176.094 0.002 0.000 1.058 158 V CA 1.334 63.635 62.300 0.002 0.000 1.080 158 V CB -1.168 30.657 31.823 0.003 0.000 0.713 158 V HN 0.568 nan 8.190 nan 0.000 0.465 159 G N -0.145 108.656 108.800 0.001 0.000 2.442 159 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 159 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 159 G C 1.636 176.536 174.900 0.000 0.000 1.141 159 G CA 1.116 46.216 45.100 0.001 0.000 0.763 159 G HN 0.470 nan 8.290 nan 0.000 0.554 160 K N -0.371 120.029 120.400 -0.000 0.000 2.167 160 K HA 0.231 4.551 4.320 -0.000 0.000 0.203 160 K C 2.427 179.027 176.600 -0.001 0.000 1.052 160 K CA 0.130 56.416 56.287 -0.001 0.000 0.956 160 K CB -0.141 32.358 32.500 -0.001 0.000 0.735 160 K HN 0.295 nan 8.250 nan 0.000 0.451 161 L N 0.810 122.032 121.223 -0.000 0.000 2.141 161 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 161 L C 2.033 178.902 176.870 -0.001 0.000 1.094 161 L CA 0.969 55.809 54.840 -0.000 0.000 0.763 161 L CB -0.079 41.981 42.059 0.001 0.000 0.908 161 L HN 0.210 nan 8.230 nan 0.000 0.437 162 I N -1.172 119.398 120.570 -0.001 0.000 2.494 162 I HA -0.117 4.053 4.170 -0.000 0.000 0.250 162 I C 2.698 178.813 176.117 -0.004 0.000 1.112 162 I CA 0.743 62.041 61.300 -0.002 0.000 1.438 162 I CB -0.446 37.554 38.000 -0.001 0.000 1.111 162 I HN 0.103 nan 8.210 nan 0.000 0.431 163 A N 0.675 123.493 122.820 -0.003 0.000 1.997 163 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 163 A C 2.196 179.778 177.584 -0.004 0.000 1.172 163 A CA 2.000 54.035 52.037 -0.003 0.000 0.645 163 A CB -0.541 18.458 19.000 -0.002 0.000 0.813 163 A HN 0.484 nan 8.150 nan 0.000 0.454 164 E N -1.101 119.097 120.200 -0.003 0.000 2.140 164 E HA 0.110 4.460 4.350 -0.000 0.000 0.191 164 E C 2.263 178.860 176.600 -0.004 0.000 0.973 164 E CA 0.576 56.974 56.400 -0.004 0.000 0.829 164 E CB -0.130 29.569 29.700 -0.003 0.000 0.781 164 E HN 0.597 nan 8.360 nan 0.000 0.466 165 A N 0.794 123.611 122.820 -0.005 0.000 2.014 165 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 165 A C 2.046 179.625 177.584 -0.008 0.000 1.163 165 A CA 0.928 52.961 52.037 -0.006 0.000 0.652 165 A CB -0.247 18.750 19.000 -0.006 0.000 0.808 165 A HN 0.129 nan 8.150 nan 0.000 0.449 166 M N -1.315 118.279 119.600 -0.009 0.000 2.334 166 M HA -0.060 4.420 4.480 -0.000 0.000 0.266 166 M C 1.540 177.835 176.300 -0.008 0.000 1.082 166 M CA 1.362 56.656 55.300 -0.010 0.000 1.141 166 M CB -0.298 32.296 32.600 -0.011 0.000 1.380 166 M HN 0.353 nan 8.290 nan 0.000 0.440 167 D N 0.607 121.003 120.400 -0.006 0.000 2.310 167 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 167 D C 1.958 178.255 176.300 -0.005 0.000 0.965 167 D CA 0.958 54.955 54.000 -0.005 0.000 0.879 167 D CB 0.363 41.160 40.800 -0.004 0.000 0.921 167 D HN 0.044 nan 8.370 nan 0.000 0.510 168 K N -0.385 120.011 120.400 -0.006 0.000 2.063 168 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 168 K C 2.058 178.654 176.600 -0.006 0.000 1.039 168 K CA 1.143 57.426 56.287 -0.006 0.000 0.957 168 K CB -0.433 32.064 32.500 -0.005 0.000 0.764 168 K HN 0.190 nan 8.250 nan 0.000 0.447 169 V N -2.276 117.633 119.914 -0.007 0.000 3.354 169 V HA 0.316 4.436 4.120 -0.000 0.000 0.258 169 V C 0.899 176.987 176.094 -0.009 0.000 1.159 169 V CA 0.419 62.715 62.300 -0.008 0.000 1.125 169 V CB -0.516 31.301 31.823 -0.009 0.000 0.774 169 V HN 0.427 nan 8.190 nan 0.000 0.464 170 G N 0.773 109.568 108.800 -0.009 0.000 2.592 170 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.684 170 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.684 170 G C 0.038 174.930 174.900 -0.013 0.000 1.291 170 G CA -0.047 45.047 45.100 -0.010 0.000 0.891 170 G HN 0.240 nan 8.290 nan 0.000 0.544 171 K N -0.003 120.390 120.400 -0.012 0.000 2.209 171 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 171 K C 1.612 178.201 176.600 -0.019 0.000 1.048 171 K CA 1.634 57.912 56.287 -0.014 0.000 0.940 171 K CB 0.018 32.512 32.500 -0.011 0.000 0.729 171 K HN 0.449 nan 8.250 nan 0.000 0.451 172 E N 0.235 120.425 120.200 -0.017 0.000 2.481 172 E HA 0.051 4.401 4.350 -0.000 0.000 0.198 172 E C 0.643 177.231 176.600 -0.020 0.000 1.027 172 E CA 0.024 56.413 56.400 -0.018 0.000 0.900 172 E CB 0.544 30.237 29.700 -0.012 0.000 0.993 172 E HN 0.213 nan 8.360 nan 0.000 0.482 173 G N 1.417 110.206 108.800 -0.019 0.000 2.365 173 G HA2 0.197 4.157 3.960 -0.000 0.000 0.249 173 G HA3 0.197 4.157 3.960 -0.000 0.000 0.249 173 G C 0.334 175.220 174.900 -0.023 0.000 1.288 173 G CA -0.415 44.675 45.100 -0.017 0.000 0.887 173 G HN -0.056 nan 8.290 nan 0.000 0.524 174 V N 3.937 123.840 119.914 -0.018 0.000 2.434 174 V HA 0.072 4.192 4.120 -0.000 0.000 0.281 174 V C 0.520 176.603 176.094 -0.019 0.000 1.005 174 V CA 0.613 62.900 62.300 -0.021 0.000 1.089 174 V CB -0.402 31.415 31.823 -0.011 0.000 0.978 174 V HN 0.462 nan 8.190 nan 0.000 0.474 175 I N 4.759 125.314 120.570 -0.025 0.000 2.436 175 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 175 I C 0.158 176.267 176.117 -0.013 0.000 1.010 175 I CA -0.162 61.127 61.300 -0.018 0.000 1.098 175 I CB 2.047 40.035 38.000 -0.021 0.000 1.266 175 I HN 0.463 nan 8.210 nan 0.000 0.434 176 T N 5.178 119.728 114.554 -0.006 0.000 2.885 176 T HA 0.553 4.903 4.350 -0.000 0.000 0.285 176 T C -0.791 173.911 174.700 0.004 0.000 1.019 176 T CA -0.605 61.495 62.100 0.001 0.000 1.010 176 T CB 2.588 71.456 68.868 -0.001 0.000 1.022 176 T HN 0.340 nan 8.240 nan 0.000 0.466 177 V N 2.784 122.704 119.914 0.011 0.000 2.656 177 V HA 0.804 4.924 4.120 -0.000 0.000 0.307 177 V C -1.003 175.096 176.094 0.009 0.000 1.051 177 V CA -0.530 61.776 62.300 0.010 0.000 0.893 177 V CB 1.503 33.334 31.823 0.014 0.000 0.999 177 V HN 1.079 nan 8.190 nan 0.000 0.426 178 E N 3.497 123.700 120.200 0.005 0.000 2.442 178 E HA 0.501 4.851 4.350 -0.000 0.000 0.271 178 E C -1.607 174.994 176.600 0.002 0.000 1.002 178 E CA -1.120 55.282 56.400 0.003 0.000 0.864 178 E CB 1.114 30.815 29.700 0.001 0.000 1.573 178 E HN 0.490 nan 8.360 nan 0.000 0.456 179 D N 0.493 120.893 120.400 0.001 0.000 2.414 179 D HA 0.228 4.868 4.640 -0.000 0.000 0.242 179 D C 0.272 176.571 176.300 -0.001 0.000 1.129 179 D CA 0.418 54.418 54.000 -0.000 0.000 0.885 179 D CB 1.096 41.895 40.800 -0.001 0.000 1.198 179 D HN 0.557 nan 8.370 nan 0.000 0.437 180 G N -0.187 108.612 108.800 -0.001 0.000 2.616 180 G HA2 0.306 4.266 3.960 -0.000 0.000 0.268 180 G HA3 0.306 4.266 3.960 -0.000 0.000 0.268 180 G C 0.856 175.755 174.900 -0.002 0.000 1.213 180 G CA -0.202 44.898 45.100 -0.001 0.000 0.926 180 G HN 0.469 nan 8.290 nan 0.000 0.523 181 T N -3.636 110.917 114.554 -0.002 0.000 3.044 181 T HA 0.542 4.892 4.350 -0.000 0.000 0.260 181 T C 0.787 175.485 174.700 -0.002 0.000 1.019 181 T CA 0.616 62.715 62.100 -0.003 0.000 0.921 181 T CB 0.345 69.212 68.868 -0.003 0.000 1.053 181 T HN 1.748 nan 8.240 nan 0.000 0.533 182 G N 0.928 109.727 108.800 -0.002 0.000 2.328 182 G HA2 0.366 4.326 3.960 -0.000 0.000 0.299 182 G HA3 0.366 4.326 3.960 -0.000 0.000 0.299 182 G C -1.687 173.212 174.900 -0.002 0.000 1.435 182 G CA -0.979 44.120 45.100 -0.002 0.000 0.865 182 G HN 0.297 nan 8.290 nan 0.000 0.601 183 L N 1.091 122.313 121.223 -0.002 0.000 2.678 183 L HA 0.493 4.833 4.340 -0.000 0.000 0.276 183 L C -0.335 176.534 176.870 -0.002 0.000 1.142 183 L CA 1.225 56.064 54.840 -0.002 0.000 0.961 183 L CB -0.963 41.095 42.059 -0.002 0.000 1.291 183 L HN 0.762 nan 8.230 nan 0.000 0.476 184 Q N 3.394 123.193 119.800 -0.002 0.000 3.234 184 Q HA 0.089 4.429 4.340 -0.000 0.000 0.175 184 Q C -1.674 174.325 176.000 -0.001 0.000 0.978 184 Q CA -0.500 55.302 55.803 -0.002 0.000 1.231 184 Q CB 0.917 29.654 28.738 -0.002 0.000 1.790 184 Q HN 0.612 nan 8.270 nan 0.000 0.598 185 D N 3.159 123.558 120.400 -0.001 0.000 2.312 185 D HA 0.170 4.810 4.640 -0.000 0.000 0.252 185 D C -0.186 176.113 176.300 -0.001 0.000 1.150 185 D CA 0.256 54.255 54.000 -0.001 0.000 0.870 185 D CB 1.119 41.919 40.800 -0.001 0.000 1.153 185 D HN 0.326 nan 8.370 nan 0.000 0.457 186 E N 0.625 120.824 120.200 -0.002 0.000 2.232 186 E HA 0.615 4.965 4.350 -0.000 0.000 0.265 186 E C -0.775 175.823 176.600 -0.002 0.000 1.001 186 E CA -1.007 55.392 56.400 -0.002 0.000 0.870 186 E CB 1.996 31.695 29.700 -0.002 0.000 1.175 186 E HN 0.086 nan 8.360 nan 0.000 0.407 187 L N 1.679 122.900 121.223 -0.003 0.000 2.505 187 L HA 0.407 4.747 4.340 -0.000 0.000 0.266 187 L C -2.027 174.842 176.870 -0.003 0.000 0.954 187 L CA -0.255 54.584 54.840 -0.003 0.000 0.852 187 L CB 1.865 43.922 42.059 -0.003 0.000 1.282 187 L HN 0.415 nan 8.230 nan 0.000 0.403 188 D N 4.281 124.679 120.400 -0.004 0.000 2.764 188 D HA 0.317 4.957 4.640 -0.000 0.000 0.227 188 D C -1.021 175.276 176.300 -0.004 0.000 1.347 188 D CA -0.155 53.843 54.000 -0.004 0.000 0.953 188 D CB 2.777 43.574 40.800 -0.004 0.000 1.476 188 D HN 0.207 nan 8.370 nan 0.000 0.585 189 V N 2.356 122.268 119.914 -0.004 0.000 2.408 189 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 189 V C 0.815 176.907 176.094 -0.004 0.000 1.047 189 V CA -0.437 61.861 62.300 -0.004 0.000 0.937 189 V CB 0.937 32.758 31.823 -0.004 0.000 0.999 189 V HN 0.399 nan 8.190 nan 0.000 0.472 190 V N 2.135 122.047 119.914 -0.003 0.000 3.103 190 V HA 0.659 4.779 4.120 -0.000 0.000 0.318 190 V C -0.032 176.061 176.094 -0.001 0.000 1.114 190 V CA -1.073 61.225 62.300 -0.003 0.000 1.020 190 V CB 2.073 33.893 31.823 -0.004 0.000 1.085 190 V HN 0.652 nan 8.190 nan 0.000 0.446 191 E N 1.899 122.099 120.200 -0.001 0.000 2.081 191 E HA 0.474 4.824 4.350 -0.000 0.000 0.270 191 E C 0.183 176.787 176.600 0.006 0.000 1.180 191 E CA 0.539 56.940 56.400 0.002 0.000 0.926 191 E CB 0.668 30.368 29.700 -0.000 0.000 1.035 191 E HN 1.026 nan 8.360 nan 0.000 0.418 192 G N 1.819 110.626 108.800 0.011 0.000 2.730 192 G HA2 0.737 4.697 3.960 -0.000 0.000 0.289 192 G HA3 0.737 4.697 3.960 -0.000 0.000 0.289 192 G C -0.921 173.998 174.900 0.032 0.000 1.341 192 G CA -0.626 44.486 45.100 0.020 0.000 0.932 192 G HN 0.369 nan 8.290 nan 0.000 0.481 193 M N 0.226 119.858 119.600 0.055 0.000 2.421 193 M HA 0.434 4.914 4.480 -0.000 0.000 0.287 193 M C -1.536 174.833 176.300 0.115 0.000 1.183 193 M CA -0.650 54.700 55.300 0.084 0.000 0.916 193 M CB 2.797 35.459 32.600 0.103 0.000 1.701 193 M HN 0.672 nan 8.290 nan 0.000 0.470 194 Q N 3.593 123.462 119.800 0.114 0.000 2.397 194 Q HA 0.725 5.065 4.340 -0.000 0.000 0.275 194 Q C -2.086 174.022 176.000 0.180 0.000 1.090 194 Q CA -0.668 55.182 55.803 0.080 0.000 0.809 194 Q CB 2.313 31.040 28.738 -0.019 0.000 1.362 194 Q HN 0.619 nan 8.270 nan 0.000 0.431 195 F N -0.377 119.571 119.950 -0.002 0.000 2.620 195 F HA 0.517 5.044 4.527 -0.000 0.000 0.320 195 F C -0.435 175.365 175.800 -0.001 0.000 1.069 195 F CA -1.263 56.736 58.000 -0.001 0.000 0.953 195 F CB 0.966 39.967 39.000 0.002 0.000 1.322 195 F HN 0.362 nan 8.300 nan 0.000 0.479 196 D N 2.015 122.526 120.400 0.186 0.000 3.008 196 D HA 0.130 4.770 4.640 -0.000 0.000 0.242 196 D C -0.223 176.139 176.300 0.103 0.000 1.222 196 D CA 0.334 54.383 54.000 0.082 0.000 0.883 196 D CB -0.216 40.636 40.800 0.087 0.000 1.110 196 D HN 0.273 nan 8.370 nan 0.000 0.455 197 R N 0.098 120.639 120.500 0.070 0.000 2.532 197 R HA 0.562 4.902 4.340 -0.000 0.000 0.297 197 R C 0.417 176.643 176.300 -0.124 0.000 0.984 197 R CA -0.634 55.507 56.100 0.068 0.000 0.884 197 R CB 2.337 32.836 30.300 0.331 0.000 1.182 197 R HN 0.109 nan 8.270 nan 0.000 0.442 198 G N 1.188 109.905 108.800 -0.139 0.000 2.702 198 G HA2 0.402 4.362 3.960 -0.000 0.000 0.254 198 G HA3 0.402 4.362 3.960 -0.000 0.000 0.254 198 G C -0.695 174.106 174.900 -0.165 0.000 1.380 198 G CA -0.535 44.410 45.100 -0.257 0.000 1.042 198 G HN 0.463 nan 8.290 nan 0.000 0.557 199 Y N -1.135 119.187 120.300 0.037 0.000 2.480 199 Y HA 0.422 4.972 4.550 -0.000 0.000 0.338 199 Y C 1.268 177.247 175.900 0.132 0.000 1.220 199 Y CA -0.932 57.222 58.100 0.091 0.000 1.430 199 Y CB 0.594 39.158 38.460 0.174 0.000 1.311 199 Y HN 0.172 nan 8.280 nan 0.000 0.575 200 L N 1.218 122.655 121.223 0.357 0.000 2.341 200 L HA 0.069 4.409 4.340 -0.000 0.000 0.214 200 L C 0.805 177.912 176.870 0.395 0.000 1.115 200 L CA 1.002 56.020 54.840 0.297 0.000 0.820 200 L CB 0.036 42.230 42.059 0.225 0.000 0.944 200 L HN 0.789 nan 8.230 nan 0.000 0.452 201 S N -2.348 113.707 115.700 0.592 0.000 2.556 201 S HA 0.471 4.941 4.470 -0.000 0.000 0.271 201 S C -2.497 172.232 174.600 0.214 0.000 1.135 201 S CA -1.335 57.090 58.200 0.376 0.000 0.858 201 S CB 1.667 64.996 63.200 0.217 0.000 1.114 201 S HN -0.282 nan 8.310 nan 0.000 0.468 202 P HA 0.281 nan 4.420 nan 0.000 0.321 202 P C -0.089 176.932 177.300 -0.464 0.000 1.338 202 P CA 0.448 63.224 63.100 -0.539 0.000 0.764 202 P CB -0.018 31.283 31.700 -0.665 0.000 1.641 203 Y N -5.063 115.018 120.300 -0.365 0.000 4.118 203 Y HA -0.274 4.276 4.550 -0.000 0.000 0.350 203 Y C 1.717 177.413 175.900 -0.340 0.000 1.090 203 Y CA 1.171 59.061 58.100 -0.349 0.000 2.216 203 Y CB -3.161 35.046 38.460 -0.422 0.000 0.986 203 Y HN 0.111 nan 8.280 nan 0.000 0.484 204 F N 0.136 120.053 119.950 -0.054 0.000 2.558 204 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 204 F C 1.370 177.102 175.800 -0.115 0.000 1.119 204 F CA 0.151 58.113 58.000 -0.063 0.000 1.451 204 F CB -0.306 38.665 39.000 -0.048 0.000 1.091 204 F HN -0.079 nan 8.300 nan 0.000 0.563 205 I N 2.455 122.968 120.570 -0.094 0.000 2.578 205 I HA -0.079 4.091 4.170 -0.000 0.000 0.286 205 I C 0.602 176.691 176.117 -0.046 0.000 1.126 205 I CA 0.102 61.331 61.300 -0.119 0.000 1.380 205 I CB 0.069 37.922 38.000 -0.246 0.000 1.408 205 I HN 0.142 nan 8.210 nan 0.000 0.532 206 N N 4.934 123.631 118.700 -0.005 0.000 2.254 206 N HA 0.022 4.762 4.740 -0.000 0.000 0.190 206 N C -0.019 175.489 175.510 -0.004 0.000 1.107 206 N CA 0.100 53.152 53.050 0.003 0.000 0.869 206 N CB 0.383 38.883 38.487 0.022 0.000 0.983 206 N HN 0.306 nan 8.380 nan 0.000 0.487 207 K N 1.335 121.730 120.400 -0.007 0.000 2.478 207 K HA 0.280 4.600 4.320 -0.000 0.000 0.236 207 K C -2.104 174.485 176.600 -0.018 0.000 1.021 207 K CA -1.626 54.656 56.287 -0.008 0.000 1.010 207 K CB 2.250 34.751 32.500 0.002 0.000 1.331 207 K HN 0.011 nan 8.250 nan 0.000 0.470 208 P HA -0.077 nan 4.420 nan 0.000 0.225 208 P C 0.527 177.811 177.300 -0.026 0.000 1.156 208 P CA 0.847 63.926 63.100 -0.034 0.000 0.787 208 P CB 0.567 32.247 31.700 -0.033 0.000 0.802 209 E N 0.193 120.382 120.200 -0.019 0.000 2.005 209 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 209 E C 2.035 178.622 176.600 -0.023 0.000 1.010 209 E CA 2.464 58.852 56.400 -0.019 0.000 0.825 209 E CB -1.620 28.071 29.700 -0.015 0.000 0.769 209 E HN 0.336 nan 8.360 nan 0.000 0.456 210 T N -2.943 111.600 114.554 -0.018 0.000 3.023 210 T HA 0.191 4.541 4.350 -0.000 0.000 0.266 210 T C 1.456 176.151 174.700 -0.009 0.000 1.093 210 T CA 0.384 62.471 62.100 -0.022 0.000 1.129 210 T CB -0.017 68.843 68.868 -0.014 0.000 0.899 210 T HN 0.415 nan 8.240 nan 0.000 0.491 211 G N 0.966 109.767 108.800 0.001 0.000 2.248 211 G HA2 0.235 4.195 3.960 -0.000 0.000 0.252 211 G HA3 0.235 4.195 3.960 -0.000 0.000 0.252 211 G C -0.031 174.922 174.900 0.088 0.000 1.085 211 G CA -0.217 44.897 45.100 0.023 0.000 0.845 211 G HN 1.167 nan 8.290 nan 0.000 0.494 212 A N -1.224 121.630 122.820 0.058 0.000 2.532 212 A HA 0.961 5.281 4.320 -0.000 0.000 0.290 212 A C -0.246 177.372 177.584 0.057 0.000 1.143 212 A CA -0.295 51.806 52.037 0.106 0.000 0.728 212 A CB 1.972 21.023 19.000 0.085 0.000 1.317 212 A HN 1.386 nan 8.150 nan 0.000 0.414 213 V N 0.719 120.691 119.914 0.097 0.000 2.472 213 V HA 0.602 4.722 4.120 -0.000 0.000 0.290 213 V C -0.060 176.066 176.094 0.052 0.000 1.037 213 V CA -0.354 61.988 62.300 0.070 0.000 0.908 213 V CB 1.272 33.156 31.823 0.103 0.000 0.985 213 V HN 0.906 nan 8.190 nan 0.000 0.454 214 E N 4.141 124.363 120.200 0.037 0.000 2.265 214 E HA 0.623 4.973 4.350 -0.000 0.000 0.262 214 E C -1.813 174.801 176.600 0.023 0.000 0.889 214 E CA -0.543 55.871 56.400 0.025 0.000 0.789 214 E CB 1.586 31.297 29.700 0.018 0.000 1.221 214 E HN 0.652 nan 8.360 nan 0.000 0.414 215 L N 3.290 124.524 121.223 0.018 0.000 2.365 215 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 215 L C -0.291 176.581 176.870 0.003 0.000 1.000 215 L CA -0.789 54.060 54.840 0.016 0.000 0.819 215 L CB 2.048 44.119 42.059 0.019 0.000 1.284 215 L HN 0.490 nan 8.230 nan 0.000 0.418 216 E N 1.115 121.315 120.200 -0.000 0.000 2.183 216 E HA 0.327 4.677 4.350 -0.000 0.000 0.271 216 E C -0.514 176.068 176.600 -0.030 0.000 0.919 216 E CA -0.632 55.760 56.400 -0.013 0.000 0.781 216 E CB 1.763 31.457 29.700 -0.010 0.000 1.140 216 E HN 0.572 nan 8.360 nan 0.000 0.402 217 S N 2.144 117.812 115.700 -0.053 0.000 3.356 217 S HA -0.127 4.343 4.470 -0.000 0.000 0.376 217 S C -2.516 172.002 174.600 -0.136 0.000 0.924 217 S CA -0.015 58.123 58.200 -0.103 0.000 1.316 217 S CB -1.165 61.972 63.200 -0.104 0.000 0.922 217 S HN 0.348 nan 8.310 nan 0.000 0.553 218 P HA 0.590 nan 4.420 nan 0.000 0.296 218 P C 0.104 177.338 177.300 -0.109 0.000 1.301 218 P CA -0.801 62.265 63.100 -0.056 0.000 0.862 218 P CB 0.529 32.230 31.700 0.001 0.000 1.046 219 F N 1.600 121.554 119.950 0.006 0.000 2.485 219 F HA 0.286 4.813 4.527 -0.000 0.000 0.327 219 F C 1.028 176.831 175.800 0.006 0.000 1.203 219 F CA 0.520 58.524 58.000 0.005 0.000 1.295 219 F CB 0.258 39.260 39.000 0.004 0.000 1.191 219 F HN 0.081 nan 8.300 nan 0.000 0.588 220 I N 2.748 123.442 120.570 0.207 0.000 2.497 220 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 220 I C -1.337 174.838 176.117 0.097 0.000 1.060 220 I CA -0.592 60.776 61.300 0.114 0.000 1.071 220 I CB 1.779 39.824 38.000 0.074 0.000 1.216 220 I HN 0.289 nan 8.210 nan 0.000 0.442 221 L N 7.977 129.242 121.223 0.069 0.000 2.261 221 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 221 L C -1.104 175.781 176.870 0.026 0.000 1.059 221 L CA 0.077 54.941 54.840 0.042 0.000 0.816 221 L CB 0.570 42.644 42.059 0.025 0.000 1.191 221 L HN 0.487 nan 8.230 nan 0.000 0.431 222 L N 6.503 127.737 121.223 0.018 0.000 2.283 222 L HA 0.696 5.036 4.340 -0.000 0.000 0.281 222 L C -0.074 176.795 176.870 -0.003 0.000 1.033 222 L CA -0.119 54.722 54.840 0.002 0.000 0.848 222 L CB 1.200 43.257 42.059 -0.004 0.000 1.226 222 L HN 0.768 nan 8.230 nan 0.000 0.429 223 A N 1.622 124.439 122.820 -0.004 0.000 2.319 223 A HA 0.411 4.731 4.320 -0.000 0.000 0.310 223 A C -0.477 177.104 177.584 -0.006 0.000 1.152 223 A CA -0.546 51.489 52.037 -0.003 0.000 0.783 223 A CB 0.868 19.869 19.000 0.002 0.000 1.184 223 A HN 0.607 nan 8.150 nan 0.000 0.474 224 D N 2.344 122.740 120.400 -0.007 0.000 2.688 224 D HA 0.301 4.941 4.640 -0.000 0.000 0.228 224 D C 0.103 176.404 176.300 0.002 0.000 1.116 224 D CA 0.372 54.368 54.000 -0.006 0.000 1.023 224 D CB -0.536 40.258 40.800 -0.010 0.000 1.100 224 D HN 0.602 nan 8.370 nan 0.000 0.487 225 K N -0.864 119.539 120.400 0.006 0.000 2.615 225 K HA 0.375 4.695 4.320 -0.000 0.000 0.291 225 K C -1.012 175.598 176.600 0.017 0.000 1.017 225 K CA -1.157 55.137 56.287 0.011 0.000 0.882 225 K CB 0.961 33.466 32.500 0.009 0.000 1.522 225 K HN -0.243 nan 8.250 nan 0.000 0.412 226 K N 1.850 122.262 120.400 0.020 0.000 2.273 226 K HA 0.283 4.603 4.320 -0.000 0.000 0.287 226 K C -0.608 176.006 176.600 0.023 0.000 1.089 226 K CA -0.258 56.043 56.287 0.024 0.000 0.909 226 K CB 0.225 32.740 32.500 0.026 0.000 1.123 226 K HN 0.411 nan 8.250 nan 0.000 0.473 227 I N 2.880 123.465 120.570 0.025 0.000 2.241 227 I HA -0.001 4.169 4.170 -0.000 0.000 0.294 227 I C 0.513 176.647 176.117 0.028 0.000 1.145 227 I CA 0.141 61.455 61.300 0.023 0.000 1.261 227 I CB 0.605 38.618 38.000 0.022 0.000 1.475 227 I HN 0.512 nan 8.210 nan 0.000 0.533 228 S N 3.335 119.050 115.700 0.025 0.000 2.557 228 S HA 0.239 4.709 4.470 -0.000 0.000 0.223 228 S C 0.313 174.927 174.600 0.023 0.000 0.969 228 S CA -0.284 57.932 58.200 0.027 0.000 0.927 228 S CB -0.216 62.999 63.200 0.024 0.000 0.806 228 S HN 0.561 nan 8.310 nan 0.000 0.489 229 N N 0.734 119.446 118.700 0.020 0.000 2.225 229 N HA 0.415 5.155 4.740 -0.000 0.000 0.298 229 N C -0.516 175.004 175.510 0.017 0.000 1.076 229 N CA -0.473 52.587 53.050 0.017 0.000 0.792 229 N CB 1.794 40.288 38.487 0.012 0.000 1.498 229 N HN 0.003 nan 8.380 nan 0.000 0.474 230 I N 1.202 121.783 120.570 0.017 0.000 3.861 230 I HA 0.114 4.284 4.170 -0.000 0.000 0.329 230 I C 2.019 178.141 176.117 0.009 0.000 1.321 230 I CA 0.125 61.435 61.300 0.016 0.000 1.126 230 I CB 0.150 38.163 38.000 0.022 0.000 1.018 230 I HN 0.429 nan 8.210 nan 0.000 0.407 231 R N 0.933 121.437 120.500 0.007 0.000 2.090 231 R HA -0.140 4.200 4.340 -0.000 0.000 0.228 231 R C 1.631 177.932 176.300 0.001 0.000 1.110 231 R CA 1.568 57.670 56.100 0.004 0.000 0.973 231 R CB 0.002 30.304 30.300 0.004 0.000 0.869 231 R HN 0.438 nan 8.270 nan 0.000 0.440 232 E N -0.087 120.115 120.200 0.003 0.000 2.208 232 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 232 E C 1.710 178.309 176.600 -0.002 0.000 0.988 232 E CA 0.693 57.093 56.400 0.001 0.000 0.828 232 E CB 0.043 29.745 29.700 0.003 0.000 0.763 232 E HN 0.283 nan 8.360 nan 0.000 0.478 233 M N 0.540 120.140 119.600 0.000 0.000 2.619 233 M HA 0.039 4.519 4.480 -0.000 0.000 0.251 233 M C 1.862 178.157 176.300 -0.009 0.000 1.106 233 M CA 0.674 55.972 55.300 -0.002 0.000 1.086 233 M CB -0.319 32.285 32.600 0.006 0.000 1.465 233 M HN 0.178 nan 8.290 nan 0.000 0.506 234 L N 0.844 122.063 121.223 -0.008 0.000 1.994 234 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 234 L C -0.325 176.533 176.870 -0.020 0.000 1.071 234 L CA 1.536 56.369 54.840 -0.011 0.000 0.745 234 L CB -2.169 39.885 42.059 -0.008 0.000 0.892 234 L HN 0.166 nan 8.230 nan 0.000 0.431 235 P HA -0.085 nan 4.420 nan 0.000 0.223 235 P C 1.629 178.900 177.300 -0.047 0.000 1.151 235 P CA 1.210 64.291 63.100 -0.031 0.000 0.787 235 P CB 0.170 31.855 31.700 -0.026 0.000 0.788 236 V N -0.433 119.452 119.914 -0.048 0.000 2.685 236 V HA -0.046 4.074 4.120 -0.000 0.000 0.244 236 V C 2.678 178.724 176.094 -0.080 0.000 1.054 236 V CA 0.879 63.136 62.300 -0.071 0.000 1.076 236 V CB -0.954 30.836 31.823 -0.055 0.000 0.725 236 V HN -0.023 nan 8.190 nan 0.000 0.467 237 L N -0.072 121.122 121.223 -0.048 0.000 2.156 237 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 237 L C 2.495 179.340 176.870 -0.042 0.000 1.095 237 L CA 1.461 56.279 54.840 -0.036 0.000 0.770 237 L CB -0.429 41.623 42.059 -0.012 0.000 0.914 237 L HN 0.378 nan 8.230 nan 0.000 0.439 238 E N 0.123 120.297 120.200 -0.044 0.000 2.152 238 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 238 E C 2.205 178.767 176.600 -0.063 0.000 0.983 238 E CA 0.967 57.342 56.400 -0.041 0.000 0.818 238 E CB -0.068 29.612 29.700 -0.033 0.000 0.758 238 E HN 0.467 nan 8.360 nan 0.000 0.467 239 A N 0.573 123.334 122.820 -0.097 0.000 2.119 239 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 239 A C 2.173 179.624 177.584 -0.222 0.000 1.152 239 A CA 0.531 52.480 52.037 -0.146 0.000 0.708 239 A CB 0.133 19.032 19.000 -0.169 0.000 0.805 239 A HN 0.091 nan 8.150 nan 0.000 0.460 240 V N -0.896 118.902 119.914 -0.193 0.000 3.174 240 V HA -0.004 4.116 4.120 -0.000 0.000 0.254 240 V C 2.788 178.860 176.094 -0.036 0.000 1.120 240 V CA 1.134 63.336 62.300 -0.164 0.000 1.114 240 V CB -0.402 31.362 31.823 -0.097 0.000 0.756 240 V HN 0.543 nan 8.190 nan 0.000 0.467 241 A N 0.073 122.873 122.820 -0.034 0.000 1.898 241 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 241 A C 1.486 179.071 177.584 0.002 0.000 1.181 241 A CA 1.038 53.072 52.037 -0.005 0.000 0.620 241 A CB -0.222 18.773 19.000 -0.009 0.000 0.819 241 A HN 0.514 nan 8.150 nan 0.000 0.442 242 K N -2.247 118.143 120.400 -0.016 0.000 2.187 242 K HA 0.360 4.680 4.320 -0.000 0.000 0.247 242 K C 1.199 177.817 176.600 0.030 0.000 1.019 242 K CA 0.261 56.547 56.287 -0.002 0.000 0.893 242 K CB 0.076 32.563 32.500 -0.021 0.000 1.025 242 K HN 0.698 nan 8.250 nan 0.000 0.500 243 A N 0.733 123.582 122.820 0.048 0.000 4.411 243 A HA -0.255 4.065 4.320 -0.000 0.000 0.252 243 A C 1.106 178.745 177.584 0.091 0.000 0.659 243 A CA 1.845 53.934 52.037 0.087 0.000 1.147 243 A CB -2.448 16.648 19.000 0.160 0.000 1.142 243 A HN 1.564 nan 8.150 nan 0.000 0.682 244 G N -0.888 107.962 108.800 0.083 0.000 2.374 244 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.289 244 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.289 244 G C -0.310 174.649 174.900 0.099 0.000 1.004 244 G CA 1.214 46.360 45.100 0.075 0.000 1.292 244 G HN 1.188 nan 8.290 nan 0.000 0.502 245 K N 0.935 121.431 120.400 0.160 0.000 2.375 245 K HA 0.527 4.847 4.320 -0.000 0.000 0.249 245 K C -2.220 174.484 176.600 0.172 0.000 0.942 245 K CA -2.241 54.142 56.287 0.159 0.000 0.806 245 K CB 2.538 35.145 32.500 0.179 0.000 1.227 245 K HN 0.081 nan 8.250 nan 0.000 0.430 246 P HA 0.008 nan 4.420 nan 0.000 0.276 246 P C -1.153 176.230 177.300 0.139 0.000 1.264 246 P CA -0.426 62.731 63.100 0.095 0.000 0.815 246 P CB 0.394 32.128 31.700 0.057 0.000 1.121 247 L N -0.809 120.472 121.223 0.096 0.000 2.466 247 L HA 0.643 4.983 4.340 -0.000 0.000 0.258 247 L C -1.861 175.036 176.870 0.044 0.000 0.973 247 L CA -0.921 53.981 54.840 0.104 0.000 0.826 247 L CB 1.849 43.958 42.059 0.083 0.000 1.372 247 L HN 0.116 nan 8.230 nan 0.000 0.409 248 L N 4.682 125.936 121.223 0.051 0.000 2.346 248 L HA 0.700 5.040 4.340 -0.000 0.000 0.276 248 L C -1.350 175.531 176.870 0.019 0.000 1.006 248 L CA -0.339 54.512 54.840 0.019 0.000 0.817 248 L CB 1.690 43.775 42.059 0.042 0.000 1.272 248 L HN 0.430 nan 8.230 nan 0.000 0.421 249 I N 6.638 127.200 120.570 -0.014 0.000 2.355 249 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 249 I C -0.404 175.726 176.117 0.022 0.000 0.999 249 I CA -0.280 61.018 61.300 -0.003 0.000 1.163 249 I CB 1.228 39.210 38.000 -0.029 0.000 1.316 249 I HN 0.536 nan 8.210 nan 0.000 0.454 250 I N 5.777 126.365 120.570 0.031 0.000 2.460 250 I HA 0.571 4.741 4.170 -0.000 0.000 0.277 250 I C 0.305 176.426 176.117 0.007 0.000 1.057 250 I CA -0.241 61.077 61.300 0.031 0.000 1.179 250 I CB 1.249 39.258 38.000 0.015 0.000 1.329 250 I HN 0.642 nan 8.210 nan 0.000 0.478 251 A N 4.034 126.864 122.820 0.016 0.000 2.387 251 A HA 0.465 4.785 4.320 -0.000 0.000 0.303 251 A C 0.882 178.478 177.584 0.020 0.000 1.145 251 A CA -0.537 51.508 52.037 0.013 0.000 0.801 251 A CB 1.402 20.413 19.000 0.018 0.000 1.342 251 A HN 0.700 nan 8.150 nan 0.000 0.440 252 E N -0.647 119.565 120.200 0.019 0.000 2.265 252 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 252 E C -0.602 176.022 176.600 0.040 0.000 0.996 252 E CA 1.294 57.711 56.400 0.028 0.000 0.832 252 E CB 0.185 29.902 29.700 0.028 0.000 0.756 252 E HN 0.571 nan 8.360 nan 0.000 0.491 253 D N -1.836 118.588 120.400 0.040 0.000 2.842 253 D HA 0.067 4.707 4.640 -0.000 0.000 0.248 253 D C -1.878 174.451 176.300 0.048 0.000 1.140 253 D CA -0.404 53.625 54.000 0.049 0.000 0.728 253 D CB 1.681 42.509 40.800 0.047 0.000 1.595 253 D HN -0.156 nan 8.370 nan 0.000 0.450 254 V N 3.077 123.028 119.914 0.061 0.000 2.349 254 V HA 0.491 4.611 4.120 -0.000 0.000 0.284 254 V C -0.031 176.110 176.094 0.078 0.000 1.014 254 V CA -0.557 61.782 62.300 0.066 0.000 0.826 254 V CB 1.455 33.322 31.823 0.073 0.000 1.009 254 V HN 0.374 nan 8.190 nan 0.000 0.431 255 E N 2.418 122.656 120.200 0.063 0.000 2.263 255 E HA 0.691 5.041 4.350 -0.000 0.000 0.264 255 E C 1.044 177.676 176.600 0.053 0.000 0.923 255 E CA -0.212 56.224 56.400 0.059 0.000 0.802 255 E CB 2.112 31.840 29.700 0.046 0.000 1.228 255 E HN 0.720 nan 8.360 nan 0.000 0.417 256 G N 1.965 110.794 108.800 0.048 0.000 2.684 256 G HA2 -0.484 3.476 3.960 -0.000 0.000 0.358 256 G HA3 -0.484 3.476 3.960 -0.000 0.000 0.358 256 G C 1.199 176.119 174.900 0.034 0.000 1.164 256 G CA 1.057 46.179 45.100 0.036 0.000 0.935 256 G HN 0.683 nan 8.290 nan 0.000 0.574 257 E N 1.376 121.592 120.200 0.027 0.000 2.058 257 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 257 E C 2.962 179.581 176.600 0.032 0.000 0.997 257 E CA 2.244 58.658 56.400 0.023 0.000 0.801 257 E CB -0.622 29.088 29.700 0.017 0.000 0.746 257 E HN 0.772 nan 8.360 nan 0.000 0.450 258 A N 0.549 123.393 122.820 0.040 0.000 2.014 258 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 258 A C 2.094 179.728 177.584 0.082 0.000 1.163 258 A CA 0.868 52.935 52.037 0.051 0.000 0.652 258 A CB -0.279 18.747 19.000 0.044 0.000 0.808 258 A HN 0.311 nan 8.150 nan 0.000 0.449 259 L N -1.179 120.101 121.223 0.095 0.000 2.307 259 L HA 0.284 4.624 4.340 -0.000 0.000 0.211 259 L C 2.443 179.387 176.870 0.124 0.000 1.099 259 L CA 1.562 56.494 54.840 0.154 0.000 0.816 259 L CB -0.426 41.725 42.059 0.153 0.000 0.952 259 L HN 0.263 nan 8.230 nan 0.000 0.455 260 A N -1.362 121.492 122.820 0.057 0.000 1.898 260 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 260 A C 2.167 179.746 177.584 -0.008 0.000 1.183 260 A CA 1.861 53.899 52.037 0.002 0.000 0.622 260 A CB -0.955 18.040 19.000 -0.008 0.000 0.824 260 A HN 0.441 nan 8.150 nan 0.000 0.444 261 T N 0.562 115.128 114.554 0.021 0.000 2.777 261 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 261 T C 1.841 176.571 174.700 0.049 0.000 1.040 261 T CA 1.318 63.431 62.100 0.021 0.000 1.141 261 T CB -0.354 68.530 68.868 0.026 0.000 0.868 261 T HN 0.316 nan 8.240 nan 0.000 0.444 262 L N 0.726 122.013 121.223 0.106 0.000 2.017 262 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 262 L C 2.689 179.693 176.870 0.223 0.000 1.073 262 L CA 0.977 55.933 54.840 0.193 0.000 0.745 262 L CB -0.657 41.564 42.059 0.269 0.000 0.894 262 L HN 0.118 nan 8.230 nan 0.000 0.432 263 V N -0.787 119.196 119.914 0.115 0.000 2.568 263 V HA -0.238 3.882 4.120 -0.000 0.000 0.253 263 V C 2.223 178.197 176.094 -0.200 0.000 1.072 263 V CA 1.349 63.504 62.300 -0.241 0.000 1.084 263 V CB -0.022 31.572 31.823 -0.382 0.000 0.676 263 V HN 0.218 nan 8.190 nan 0.000 0.469 264 V N -0.374 119.475 119.914 -0.108 0.000 2.426 264 V HA -0.109 4.011 4.120 -0.000 0.000 0.242 264 V C 2.070 178.136 176.094 -0.047 0.000 1.036 264 V CA 1.693 63.928 62.300 -0.107 0.000 1.044 264 V CB -0.582 31.190 31.823 -0.086 0.000 0.688 264 V HN 0.557 nan 8.190 nan 0.000 0.462 265 N N 0.489 119.188 118.700 -0.002 0.000 2.270 265 N HA -0.141 4.599 4.740 -0.000 0.000 0.181 265 N C 1.951 177.482 175.510 0.036 0.000 1.016 265 N CA 1.875 54.935 53.050 0.017 0.000 0.870 265 N CB 0.003 38.507 38.487 0.029 0.000 0.979 265 N HN 0.653 nan 8.380 nan 0.000 0.431 266 T N -1.092 113.505 114.554 0.071 0.000 2.985 266 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 266 T C 1.782 176.518 174.700 0.061 0.000 1.076 266 T CA 0.436 62.596 62.100 0.101 0.000 1.135 266 T CB -0.015 68.985 68.868 0.221 0.000 0.890 266 T HN 0.083 nan 8.240 nan 0.000 0.480 267 M N 0.056 119.664 119.600 0.014 0.000 2.506 267 M HA 0.217 4.697 4.480 -0.000 0.000 0.260 267 M C 2.192 178.487 176.300 -0.008 0.000 1.104 267 M CA 0.715 56.011 55.300 -0.008 0.000 1.112 267 M CB 0.016 32.581 32.600 -0.059 0.000 1.401 267 M HN 0.128 nan 8.290 nan 0.000 0.473 268 R N -0.485 120.011 120.500 -0.007 0.000 2.276 268 R HA 0.122 4.462 4.340 -0.000 0.000 0.196 268 R C 1.180 177.483 176.300 0.005 0.000 0.961 268 R CA 0.736 56.832 56.100 -0.006 0.000 1.024 268 R CB 0.214 30.508 30.300 -0.010 0.000 0.940 268 R HN 0.622 nan 8.270 nan 0.000 0.480 269 G N 1.283 110.093 108.800 0.017 0.000 2.175 269 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 269 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 269 G C 0.263 175.177 174.900 0.024 0.000 0.982 269 G CA -0.237 44.875 45.100 0.021 0.000 0.641 269 G HN 0.253 nan 8.290 nan 0.000 0.527 270 I N 1.875 122.460 120.570 0.023 0.000 2.472 270 I HA 0.353 4.523 4.170 -0.000 0.000 0.305 270 I C 0.908 177.046 176.117 0.035 0.000 1.196 270 I CA -0.414 60.900 61.300 0.023 0.000 1.613 270 I CB -0.191 37.819 38.000 0.017 0.000 1.501 270 I HN 0.141 nan 8.210 nan 0.000 0.754 271 V N 4.128 124.064 119.914 0.037 0.000 3.683 271 V HA -0.231 3.889 4.120 -0.000 0.000 0.493 271 V C 0.417 176.548 176.094 0.062 0.000 0.682 271 V CA 0.392 62.720 62.300 0.047 0.000 2.008 271 V CB -1.227 30.619 31.823 0.039 0.000 2.427 271 V HN 0.738 nan 8.190 nan 0.000 0.505 272 K N 4.295 124.735 120.400 0.066 0.000 2.294 272 K HA 0.466 4.786 4.320 -0.000 0.000 0.288 272 K C -0.306 176.338 176.600 0.073 0.000 1.072 272 K CA 0.170 56.505 56.287 0.079 0.000 0.960 272 K CB 0.710 33.251 32.500 0.068 0.000 1.043 272 K HN 0.564 nan 8.250 nan 0.000 0.455 273 V N 1.997 121.959 119.914 0.079 0.000 2.555 273 V HA 0.746 4.866 4.120 -0.000 0.000 0.302 273 V C -0.177 175.850 176.094 -0.111 0.000 1.038 273 V CA -1.214 61.095 62.300 0.015 0.000 0.887 273 V CB 1.733 33.570 31.823 0.024 0.000 0.991 273 V HN 0.691 nan 8.190 nan 0.000 0.434 274 A N 3.314 125.994 122.820 -0.232 0.000 2.365 274 A HA 0.957 5.277 4.320 -0.000 0.000 0.318 274 A C -0.219 177.064 177.584 -0.503 0.000 1.091 274 A CA -0.444 51.265 52.037 -0.547 0.000 0.763 274 A CB 1.623 20.478 19.000 -0.240 0.000 1.248 274 A HN 1.385 nan 8.150 nan 0.000 0.442 275 A N 1.535 123.901 122.820 -0.756 0.000 2.318 275 A HA 0.718 5.038 4.320 -0.000 0.000 0.317 275 A C -0.162 177.366 177.584 -0.094 0.000 1.159 275 A CA -0.215 51.639 52.037 -0.304 0.000 0.799 275 A CB 0.648 19.522 19.000 -0.211 0.000 1.194 275 A HN 2.140 nan 8.150 nan 0.000 0.479 276 V N -0.038 119.884 119.914 0.013 0.000 3.001 276 V HA 0.633 4.753 4.120 -0.000 0.000 0.314 276 V C -0.217 175.951 176.094 0.123 0.000 1.099 276 V CA -1.218 61.141 62.300 0.098 0.000 0.989 276 V CB 1.470 33.389 31.823 0.160 0.000 1.040 276 V HN 0.837 nan 8.190 nan 0.000 0.434 277 K N 1.290 121.775 120.400 0.141 0.000 2.138 277 K HA 0.688 5.008 4.320 -0.000 0.000 0.251 277 K C 0.216 176.892 176.600 0.127 0.000 1.015 277 K CA 0.119 56.478 56.287 0.119 0.000 0.917 277 K CB 1.250 33.812 32.500 0.103 0.000 1.021 277 K HN 1.089 nan 8.250 nan 0.000 0.485 278 A N 3.050 125.894 122.820 0.039 0.000 2.363 278 A HA 0.332 4.652 4.320 -0.000 0.000 0.270 278 A C -2.294 175.276 177.584 -0.023 0.000 1.121 278 A CA -1.431 50.571 52.037 -0.059 0.000 0.800 278 A CB -0.034 18.931 19.000 -0.057 0.000 1.052 278 A HN 0.367 nan 8.150 nan 0.000 0.493 279 P HA 0.335 nan 4.420 nan 0.000 0.269 279 P C 1.144 178.470 177.300 0.043 0.000 1.215 279 P CA 1.427 64.528 63.100 0.001 0.000 0.780 279 P CB 0.536 32.178 31.700 -0.097 0.000 0.898 280 G N 1.350 110.221 108.800 0.119 0.000 2.602 280 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.306 280 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.306 280 G C -0.577 174.505 174.900 0.304 0.000 1.301 280 G CA 0.702 45.926 45.100 0.206 0.000 0.974 280 G HN 0.712 nan 8.290 nan 0.000 0.547 281 F N -2.811 117.150 119.950 0.019 0.000 2.678 281 F HA 0.661 5.188 4.527 -0.000 0.000 0.308 281 F C 0.915 176.725 175.800 0.017 0.000 1.118 281 F CA 0.274 58.284 58.000 0.018 0.000 0.959 281 F CB 0.926 39.941 39.000 0.026 0.000 1.305 281 F HN 2.338 nan 8.300 nan 0.000 0.443 282 G N 1.943 110.797 108.800 0.091 0.000 2.602 282 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.310 282 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.310 282 G C 0.535 175.393 174.900 -0.069 0.000 1.183 282 G CA 0.934 46.040 45.100 0.010 0.000 0.979 282 G HN 0.853 nan 8.290 nan 0.000 0.545 283 D N 0.920 121.252 120.400 -0.114 0.000 2.078 283 D HA -0.068 4.572 4.640 -0.000 0.000 0.193 283 D C 2.539 178.772 176.300 -0.112 0.000 0.990 283 D CA 1.854 55.798 54.000 -0.094 0.000 0.827 283 D CB -0.336 40.412 40.800 -0.086 0.000 0.975 283 D HN 0.692 nan 8.370 nan 0.000 0.451 284 R N 0.825 121.222 120.500 -0.171 0.000 2.280 284 R HA 0.048 4.388 4.340 -0.000 0.000 0.207 284 R C 2.033 178.257 176.300 -0.127 0.000 1.043 284 R CA 0.567 56.576 56.100 -0.151 0.000 1.006 284 R CB -0.069 30.120 30.300 -0.185 0.000 0.885 284 R HN 0.028 nan 8.270 nan 0.000 0.467 285 R N 1.666 122.095 120.500 -0.118 0.000 2.075 285 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 285 R C 1.533 177.790 176.300 -0.073 0.000 1.140 285 R CA 2.219 58.276 56.100 -0.073 0.000 0.928 285 R CB -0.120 30.166 30.300 -0.023 0.000 0.834 285 R HN 0.288 nan 8.270 nan 0.000 0.429 286 K N 0.078 120.444 120.400 -0.058 0.000 2.218 286 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 286 K C 2.027 178.592 176.600 -0.058 0.000 1.046 286 K CA 1.409 57.666 56.287 -0.050 0.000 0.933 286 K CB -0.187 32.291 32.500 -0.036 0.000 0.728 286 K HN 0.254 nan 8.250 nan 0.000 0.454 287 A N 1.286 124.067 122.820 -0.066 0.000 1.930 287 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 287 A C 2.108 179.648 177.584 -0.073 0.000 1.175 287 A CA 1.262 53.260 52.037 -0.065 0.000 0.627 287 A CB -0.345 18.613 19.000 -0.069 0.000 0.815 287 A HN 0.186 nan 8.150 nan 0.000 0.443 288 M N -0.924 118.622 119.600 -0.091 0.000 2.288 288 M HA 0.049 4.529 4.480 -0.000 0.000 0.266 288 M C 2.023 178.245 176.300 -0.130 0.000 1.072 288 M CA 0.735 55.968 55.300 -0.112 0.000 1.132 288 M CB -0.385 32.134 32.600 -0.135 0.000 1.386 288 M HN 0.364 nan 8.290 nan 0.000 0.432 289 L N 0.184 121.333 121.223 -0.122 0.000 2.034 289 L HA -0.304 4.036 4.340 -0.000 0.000 0.217 289 L C 2.629 179.452 176.870 -0.078 0.000 1.077 289 L CA 1.543 56.318 54.840 -0.108 0.000 0.769 289 L CB -0.563 41.450 42.059 -0.076 0.000 0.890 289 L HN 0.322 nan 8.230 nan 0.000 0.435 290 Q N -0.130 119.632 119.800 -0.063 0.000 2.172 290 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 290 Q C 1.595 177.568 176.000 -0.045 0.000 0.964 290 Q CA 1.512 57.288 55.803 -0.045 0.000 0.855 290 Q CB -0.118 28.596 28.738 -0.039 0.000 0.918 290 Q HN 0.374 nan 8.270 nan 0.000 0.444 291 D N -0.898 119.468 120.400 -0.057 0.000 2.309 291 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 291 D C 1.192 177.467 176.300 -0.042 0.000 0.968 291 D CA 0.903 54.874 54.000 -0.049 0.000 0.882 291 D CB 0.167 40.933 40.800 -0.057 0.000 0.918 291 D HN 0.386 nan 8.370 nan 0.000 0.503 292 I N -0.450 120.086 120.570 -0.056 0.000 3.039 292 I HA 0.061 4.231 4.170 -0.000 0.000 0.270 292 I C 2.307 178.412 176.117 -0.021 0.000 1.150 292 I CA 0.297 61.572 61.300 -0.040 0.000 1.448 292 I CB -0.138 37.815 38.000 -0.079 0.000 1.197 292 I HN -0.124 nan 8.210 nan 0.000 0.450 293 A N 1.243 124.047 122.820 -0.026 0.000 1.917 293 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 293 A C 2.337 179.918 177.584 -0.006 0.000 1.182 293 A CA 2.825 54.855 52.037 -0.012 0.000 0.633 293 A CB -1.252 17.739 19.000 -0.015 0.000 0.819 293 A HN 0.438 nan 8.150 nan 0.000 0.448 294 T N -0.047 114.500 114.554 -0.012 0.000 2.904 294 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 294 T C 1.719 176.416 174.700 -0.005 0.000 1.059 294 T CA 1.040 63.135 62.100 -0.008 0.000 1.137 294 T CB -0.184 68.677 68.868 -0.012 0.000 0.879 294 T HN 0.259 nan 8.240 nan 0.000 0.467 295 L N 2.184 123.405 121.223 -0.004 0.000 2.291 295 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 295 L C 2.244 179.117 176.870 0.004 0.000 1.120 295 L CA 1.943 56.784 54.840 0.002 0.000 0.799 295 L CB -1.167 40.897 42.059 0.008 0.000 0.925 295 L HN 0.486 nan 8.230 nan 0.000 0.446 296 T N -5.274 109.284 114.554 0.005 0.000 2.978 296 T HA 0.271 4.621 4.350 -0.000 0.000 0.248 296 T C 1.308 176.011 174.700 0.005 0.000 1.018 296 T CA 0.599 62.702 62.100 0.005 0.000 1.026 296 T CB 0.502 69.378 68.868 0.013 0.000 1.032 296 T HN 0.367 nan 8.240 nan 0.000 0.485 297 G N 0.808 109.612 108.800 0.008 0.000 2.130 297 G HA2 0.092 4.052 3.960 -0.000 0.000 0.216 297 G HA3 0.092 4.052 3.960 -0.000 0.000 0.216 297 G C 0.350 175.265 174.900 0.024 0.000 0.999 297 G CA -0.183 44.924 45.100 0.012 0.000 0.686 297 G HN 0.978 nan 8.290 nan 0.000 0.515 298 G N -1.316 107.499 108.800 0.025 0.000 2.557 298 G HA2 0.734 4.694 3.960 -0.000 0.000 0.302 298 G HA3 0.734 4.694 3.960 -0.000 0.000 0.302 298 G C -0.392 174.519 174.900 0.019 0.000 1.311 298 G CA 0.248 45.368 45.100 0.034 0.000 1.030 298 G HN 0.714 nan 8.290 nan 0.000 0.509 299 T N 0.070 114.634 114.554 0.017 0.000 2.937 299 T HA 0.358 4.708 4.350 -0.000 0.000 0.297 299 T C -0.171 174.531 174.700 0.002 0.000 0.991 299 T CA -0.323 61.782 62.100 0.007 0.000 0.990 299 T CB 1.621 70.494 68.868 0.008 0.000 0.991 299 T HN 0.390 nan 8.240 nan 0.000 0.440 300 V N 4.727 124.638 119.914 -0.005 0.000 2.485 300 V HA 0.151 4.271 4.120 -0.000 0.000 0.287 300 V C 0.608 176.698 176.094 -0.007 0.000 1.022 300 V CA 0.066 62.360 62.300 -0.010 0.000 1.067 300 V CB -0.278 31.535 31.823 -0.018 0.000 0.967 300 V HN 0.805 nan 8.190 nan 0.000 0.479 301 I N 5.439 126.006 120.570 -0.005 0.000 2.234 301 I HA 0.142 4.312 4.170 -0.000 0.000 0.287 301 I C 0.986 177.101 176.117 -0.004 0.000 1.131 301 I CA 0.096 61.394 61.300 -0.004 0.000 1.335 301 I CB -0.082 37.917 38.000 -0.002 0.000 1.511 301 I HN 0.755 nan 8.210 nan 0.000 0.588 302 S N 1.933 117.630 115.700 -0.005 0.000 2.624 302 S HA 0.264 4.734 4.470 -0.000 0.000 0.263 302 S C 0.804 175.403 174.600 -0.002 0.000 1.287 302 S CA -0.642 57.556 58.200 -0.004 0.000 0.990 302 S CB 1.291 64.487 63.200 -0.006 0.000 0.950 302 S HN 0.516 nan 8.310 nan 0.000 0.561 303 E N 0.015 120.215 120.200 -0.000 0.000 2.415 303 E HA 0.013 4.363 4.350 -0.000 0.000 0.197 303 E C 1.504 178.105 176.600 0.001 0.000 1.007 303 E CA 0.144 56.545 56.400 0.001 0.000 0.890 303 E CB 0.001 29.702 29.700 0.003 0.000 0.891 303 E HN 0.716 nan 8.360 nan 0.000 0.496 304 E N 0.954 121.153 120.200 -0.000 0.000 2.106 304 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 304 E C 1.647 178.245 176.600 -0.002 0.000 0.984 304 E CA 0.806 57.205 56.400 -0.001 0.000 0.806 304 E CB 0.075 29.774 29.700 -0.002 0.000 0.750 304 E HN 0.283 nan 8.360 nan 0.000 0.458 305 I N -0.366 120.202 120.570 -0.003 0.000 3.684 305 I HA 0.096 4.266 4.170 -0.000 0.000 0.304 305 I C 1.351 177.466 176.117 -0.002 0.000 1.278 305 I CA 0.390 61.688 61.300 -0.003 0.000 1.272 305 I CB 0.137 38.134 38.000 -0.004 0.000 1.029 305 I HN 0.218 nan 8.210 nan 0.000 0.458 306 G N 1.226 110.025 108.800 -0.002 0.000 2.176 306 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 306 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 306 G C 0.348 175.247 174.900 -0.002 0.000 0.979 306 G CA -0.339 44.761 45.100 -0.001 0.000 0.641 306 G HN 0.287 nan 8.290 nan 0.000 0.530 307 M N 1.285 120.884 119.600 -0.002 0.000 2.200 307 M HA 0.405 4.885 4.480 -0.000 0.000 0.355 307 M C 0.593 176.892 176.300 -0.002 0.000 1.283 307 M CA 0.427 55.725 55.300 -0.003 0.000 1.124 307 M CB 0.650 33.249 32.600 -0.003 0.000 1.625 307 M HN 0.287 nan 8.290 nan 0.000 0.463 308 E N 2.100 122.298 120.200 -0.003 0.000 2.254 308 E HA 0.314 4.664 4.350 -0.000 0.000 0.258 308 E C 0.252 176.850 176.600 -0.004 0.000 1.033 308 E CA -0.629 55.769 56.400 -0.003 0.000 0.893 308 E CB 1.455 31.153 29.700 -0.003 0.000 1.204 308 E HN 0.650 nan 8.360 nan 0.000 0.425 309 L N 0.801 122.022 121.223 -0.004 0.000 2.446 309 L HA 0.000 4.340 4.340 -0.000 0.000 0.219 309 L C 1.492 178.356 176.870 -0.010 0.000 1.116 309 L CA 0.582 55.418 54.840 -0.006 0.000 0.844 309 L CB -0.004 42.053 42.059 -0.003 0.000 0.970 309 L HN 0.469 nan 8.230 nan 0.000 0.457 310 E N 0.084 120.279 120.200 -0.009 0.000 2.230 310 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 310 E C 1.480 178.072 176.600 -0.013 0.000 0.987 310 E CA 0.581 56.975 56.400 -0.011 0.000 0.841 310 E CB 0.195 29.890 29.700 -0.008 0.000 0.783 310 E HN 0.140 nan 8.360 nan 0.000 0.481 311 K N 0.298 120.691 120.400 -0.011 0.000 2.417 311 K HA 0.290 4.610 4.320 -0.000 0.000 0.196 311 K C 0.090 176.682 176.600 -0.014 0.000 1.023 311 K CA -0.002 56.279 56.287 -0.011 0.000 1.122 311 K CB 0.806 33.301 32.500 -0.008 0.000 0.850 311 K HN 0.011 nan 8.250 nan 0.000 0.521 312 A N 1.627 124.436 122.820 -0.018 0.000 2.304 312 A HA 0.423 4.743 4.320 -0.000 0.000 0.301 312 A C 0.589 178.153 177.584 -0.034 0.000 1.132 312 A CA -0.326 51.698 52.037 -0.021 0.000 0.819 312 A CB 0.540 19.529 19.000 -0.020 0.000 1.094 312 A HN 0.245 nan 8.150 nan 0.000 0.492 313 T N -0.757 113.776 114.554 -0.034 0.000 2.718 313 T HA 0.529 4.879 4.350 -0.000 0.000 0.267 313 T C 1.072 175.728 174.700 -0.074 0.000 0.957 313 T CA -0.522 61.547 62.100 -0.052 0.000 1.025 313 T CB 0.120 68.968 68.868 -0.033 0.000 1.355 313 T HN 0.270 nan 8.240 nan 0.000 0.572 314 L N 0.154 121.320 121.223 -0.095 0.000 2.072 314 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 314 L C 3.035 179.927 176.870 0.036 0.000 1.079 314 L CA 1.498 56.264 54.840 -0.124 0.000 0.752 314 L CB -0.500 41.487 42.059 -0.120 0.000 0.906 314 L HN 0.833 nan 8.230 nan 0.000 0.436 315 E N 0.209 120.432 120.200 0.040 0.000 2.110 315 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 315 E C 1.449 178.084 176.600 0.059 0.000 0.988 315 E CA 1.263 57.701 56.400 0.063 0.000 0.804 315 E CB 0.152 29.875 29.700 0.037 0.000 0.745 315 E HN 0.417 nan 8.360 nan 0.000 0.458 316 D N 0.009 120.430 120.400 0.035 0.000 2.309 316 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 316 D C -0.090 176.239 176.300 0.049 0.000 0.968 316 D CA 0.581 54.598 54.000 0.029 0.000 0.882 316 D CB 0.013 40.819 40.800 0.009 0.000 0.918 316 D HN 0.102 nan 8.370 nan 0.000 0.503 317 L N 0.519 121.794 121.223 0.086 0.000 2.276 317 L HA 0.393 4.733 4.340 -0.000 0.000 0.286 317 L C 1.295 178.266 176.870 0.168 0.000 1.061 317 L CA -0.329 54.597 54.840 0.144 0.000 0.807 317 L CB 1.327 43.516 42.059 0.217 0.000 1.177 317 L HN -0.162 nan 8.230 nan 0.000 0.429 318 G N 2.176 111.041 108.800 0.109 0.000 2.588 318 G HA2 0.496 4.456 3.960 -0.000 0.000 0.278 318 G HA3 0.496 4.456 3.960 -0.000 0.000 0.278 318 G C -0.952 173.977 174.900 0.048 0.000 1.307 318 G CA -0.198 44.941 45.100 0.066 0.000 1.016 318 G HN 0.558 nan 8.290 nan 0.000 0.503 319 Q N -1.961 117.832 119.800 -0.011 0.000 2.479 319 Q HA 0.547 4.887 4.340 -0.000 0.000 0.276 319 Q C -1.306 174.656 176.000 -0.064 0.000 0.989 319 Q CA -0.750 55.000 55.803 -0.088 0.000 0.864 319 Q CB 2.082 30.706 28.738 -0.190 0.000 1.444 319 Q HN 0.971 nan 8.270 nan 0.000 0.388 320 A N 1.831 124.607 122.820 -0.073 0.000 2.527 320 A HA 0.488 4.808 4.320 -0.000 0.000 0.293 320 A C -0.401 177.147 177.584 -0.060 0.000 1.117 320 A CA -0.579 51.430 52.037 -0.047 0.000 0.723 320 A CB 1.600 20.591 19.000 -0.015 0.000 1.313 320 A HN 0.810 nan 8.150 nan 0.000 0.411 321 K N -0.542 119.833 120.400 -0.043 0.000 2.211 321 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 321 K C 0.608 177.189 176.600 -0.032 0.000 1.050 321 K CA 1.198 57.461 56.287 -0.041 0.000 0.945 321 K CB 0.123 32.605 32.500 -0.029 0.000 0.732 321 K HN 0.533 nan 8.250 nan 0.000 0.451 322 R N -0.296 120.191 120.500 -0.023 0.000 2.725 322 R HA 0.138 4.478 4.340 -0.000 0.000 0.254 322 R C -2.079 174.217 176.300 -0.006 0.000 1.076 322 R CA -0.486 55.606 56.100 -0.013 0.000 0.940 322 R CB 1.635 31.929 30.300 -0.010 0.000 1.260 322 R HN -0.059 nan 8.270 nan 0.000 0.466 323 V N 0.084 119.996 119.914 -0.002 0.000 2.760 323 V HA 0.781 4.901 4.120 -0.000 0.000 0.309 323 V C -1.063 175.029 176.094 -0.003 0.000 1.077 323 V CA -0.778 61.522 62.300 -0.001 0.000 0.910 323 V CB 2.042 33.871 31.823 0.009 0.000 1.008 323 V HN 0.391 nan 8.190 nan 0.000 0.424 324 V N 5.306 125.211 119.914 -0.015 0.000 2.487 324 V HA 0.578 4.698 4.120 -0.000 0.000 0.298 324 V C -0.308 175.773 176.094 -0.023 0.000 1.028 324 V CA -0.323 61.972 62.300 -0.007 0.000 0.860 324 V CB 1.698 33.518 31.823 -0.005 0.000 0.991 324 V HN 0.845 nan 8.190 nan 0.000 0.427 325 I N 4.874 125.460 120.570 0.026 0.000 2.464 325 I HA 0.382 4.552 4.170 -0.000 0.000 0.277 325 I C 0.119 176.316 176.117 0.133 0.000 1.040 325 I CA -0.406 60.922 61.300 0.046 0.000 1.153 325 I CB 1.106 39.169 38.000 0.105 0.000 1.274 325 I HN 0.570 nan 8.210 nan 0.000 0.469 326 N N 4.527 123.231 118.700 0.007 0.000 2.290 326 N HA 0.095 4.835 4.740 -0.000 0.000 0.269 326 N C 1.223 176.567 175.510 -0.278 0.000 1.295 326 N CA -0.183 52.863 53.050 -0.007 0.000 0.932 326 N CB 0.702 39.163 38.487 -0.044 0.000 1.128 326 N HN 0.474 nan 8.380 nan 0.000 0.532 327 K N 0.016 120.246 120.400 -0.283 0.000 2.097 327 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 327 K C -0.403 175.891 176.600 -0.510 0.000 1.049 327 K CA 1.816 57.758 56.287 -0.574 0.000 0.933 327 K CB 0.039 32.421 32.500 -0.197 0.000 0.717 327 K HN 0.607 nan 8.250 nan 0.000 0.442 328 D N -1.544 118.690 120.400 -0.277 0.000 2.651 328 D HA 0.098 4.738 4.640 -0.000 0.000 0.280 328 D C -0.972 175.245 176.300 -0.140 0.000 1.496 328 D CA -0.407 53.486 54.000 -0.179 0.000 0.792 328 D CB 0.981 41.720 40.800 -0.102 0.000 1.144 328 D HN -0.168 nan 8.370 nan 0.000 0.470 329 T N 0.148 114.595 114.554 -0.178 0.000 3.143 329 T HA 0.469 4.819 4.350 -0.000 0.000 0.312 329 T C -0.969 173.567 174.700 -0.273 0.000 0.986 329 T CA -0.436 61.551 62.100 -0.188 0.000 1.024 329 T CB 1.846 70.650 68.868 -0.105 0.000 1.030 329 T HN -0.095 nan 8.240 nan 0.000 0.448 330 T N 2.602 116.842 114.554 -0.523 0.000 2.794 330 T HA 0.676 5.026 4.350 -0.000 0.000 0.280 330 T C -0.107 174.244 174.700 -0.581 0.000 0.987 330 T CA -0.562 61.164 62.100 -0.624 0.000 0.993 330 T CB 1.655 69.978 68.868 -0.907 0.000 0.939 330 T HN 0.548 nan 8.240 nan 0.000 0.449 331 T N 2.987 117.379 114.554 -0.271 0.000 2.861 331 T HA 0.710 5.060 4.350 -0.000 0.000 0.287 331 T C -0.997 173.675 174.700 -0.046 0.000 1.003 331 T CA -0.689 61.334 62.100 -0.128 0.000 0.977 331 T CB 0.356 69.178 68.868 -0.076 0.000 0.996 331 T HN 0.467 nan 8.240 nan 0.000 0.448 332 I N 5.347 125.927 120.570 0.016 0.000 2.406 332 I HA 0.521 4.691 4.170 -0.000 0.000 0.290 332 I C -0.633 175.498 176.117 0.023 0.000 0.999 332 I CA -0.892 60.431 61.300 0.039 0.000 1.124 332 I CB 1.868 39.921 38.000 0.089 0.000 1.289 332 I HN 0.548 nan 8.210 nan 0.000 0.441 333 I N 4.918 125.494 120.570 0.010 0.000 2.406 333 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 333 I C -0.735 175.380 176.117 -0.002 0.000 0.999 333 I CA -0.558 60.744 61.300 0.003 0.000 1.124 333 I CB 1.519 39.517 38.000 -0.002 0.000 1.289 333 I HN 0.550 nan 8.210 nan 0.000 0.441 334 D N 4.571 124.970 120.400 -0.002 0.000 4.028 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.233 334 D C -0.022 176.272 176.300 -0.010 0.000 1.080 334 D CA 1.159 55.154 54.000 -0.007 0.000 1.181 334 D CB 0.008 40.801 40.800 -0.011 0.000 0.815 334 D HN 0.839 nan 8.370 nan 0.000 0.401 335 G N 1.263 110.059 108.800 -0.006 0.000 2.437 335 G HA2 0.483 4.443 3.960 -0.000 0.000 0.319 335 G HA3 0.483 4.443 3.960 -0.000 0.000 0.319 335 G C 1.231 176.123 174.900 -0.014 0.000 1.158 335 G CA -0.433 44.662 45.100 -0.009 0.000 0.899 335 G HN 0.364 nan 8.290 nan 0.000 0.502 336 V N 1.283 121.186 119.914 -0.020 0.000 2.871 336 V HA 0.062 4.182 4.120 -0.000 0.000 0.256 336 V C 2.126 178.214 176.094 -0.011 0.000 1.082 336 V CA 1.010 63.298 62.300 -0.020 0.000 1.105 336 V CB -0.998 30.808 31.823 -0.030 0.000 0.713 336 V HN 0.811 nan 8.190 nan 0.000 0.473 337 G N 1.320 110.117 108.800 -0.006 0.000 2.287 337 G HA2 0.045 4.005 3.960 -0.000 0.000 0.235 337 G HA3 0.045 4.005 3.960 -0.000 0.000 0.235 337 G C 0.052 174.949 174.900 -0.004 0.000 1.258 337 G CA -0.212 44.886 45.100 -0.003 0.000 0.884 337 G HN 0.330 nan 8.290 nan 0.000 0.518 338 E N 1.722 121.920 120.200 -0.003 0.000 2.415 338 E HA -0.011 4.339 4.350 -0.000 0.000 0.262 338 E C 1.223 177.821 176.600 -0.004 0.000 1.038 338 E CA 0.096 56.494 56.400 -0.003 0.000 0.921 338 E CB 1.012 30.711 29.700 -0.002 0.000 0.950 338 E HN 0.710 nan 8.360 nan 0.000 0.438 339 E N 1.166 121.363 120.200 -0.004 0.000 2.208 339 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 339 E C 1.718 178.315 176.600 -0.005 0.000 0.988 339 E CA 0.835 57.233 56.400 -0.004 0.000 0.828 339 E CB 0.056 29.753 29.700 -0.004 0.000 0.763 339 E HN 0.553 nan 8.360 nan 0.000 0.478 340 A N 1.913 124.730 122.820 -0.004 0.000 1.858 340 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 340 A C 2.448 180.029 177.584 -0.005 0.000 1.190 340 A CA 1.764 53.798 52.037 -0.004 0.000 0.617 340 A CB -0.808 18.190 19.000 -0.004 0.000 0.827 340 A HN 0.297 nan 8.150 nan 0.000 0.443 341 A N 0.087 122.905 122.820 -0.004 0.000 1.859 341 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 341 A C 2.156 179.736 177.584 -0.007 0.000 1.198 341 A CA 1.795 53.828 52.037 -0.005 0.000 0.629 341 A CB -0.795 18.202 19.000 -0.004 0.000 0.830 341 A HN 0.526 nan 8.150 nan 0.000 0.446 342 I N -1.188 119.378 120.570 -0.006 0.000 2.179 342 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 342 I C 2.762 178.874 176.117 -0.008 0.000 1.088 342 I CA 1.897 63.193 61.300 -0.007 0.000 1.357 342 I CB -0.367 37.630 38.000 -0.005 0.000 1.051 342 I HN 0.375 nan 8.210 nan 0.000 0.409 343 Q N 1.184 120.980 119.800 -0.007 0.000 2.230 343 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 343 Q C 2.047 178.042 176.000 -0.009 0.000 0.963 343 Q CA 1.510 57.308 55.803 -0.008 0.000 0.866 343 Q CB -0.412 28.322 28.738 -0.007 0.000 0.931 343 Q HN 0.481 nan 8.270 nan 0.000 0.452 344 G N 0.255 109.050 108.800 -0.008 0.000 2.459 344 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.217 344 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.217 344 G C 1.531 176.425 174.900 -0.011 0.000 1.183 344 G CA 0.935 46.030 45.100 -0.009 0.000 0.776 344 G HN 0.326 nan 8.290 nan 0.000 0.552 345 R N -0.046 120.446 120.500 -0.012 0.000 2.152 345 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 345 R C 2.544 178.833 176.300 -0.017 0.000 1.117 345 R CA 1.092 57.183 56.100 -0.016 0.000 0.981 345 R CB -0.622 29.668 30.300 -0.017 0.000 0.870 345 R HN 0.267 nan 8.270 nan 0.000 0.451 346 V N 0.098 120.004 119.914 -0.015 0.000 2.379 346 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 346 V C 2.223 178.308 176.094 -0.015 0.000 1.044 346 V CA 1.815 64.106 62.300 -0.015 0.000 1.036 346 V CB -0.610 31.206 31.823 -0.012 0.000 0.664 346 V HN 0.511 nan 8.190 nan 0.000 0.453 347 A N -1.147 121.665 122.820 -0.013 0.000 1.929 347 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 347 A C 2.166 179.741 177.584 -0.015 0.000 1.176 347 A CA 1.471 53.500 52.037 -0.013 0.000 0.628 347 A CB -0.413 18.581 19.000 -0.011 0.000 0.816 347 A HN 0.580 nan 8.150 nan 0.000 0.444 348 Q N -0.569 119.222 119.800 -0.016 0.000 2.096 348 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 348 Q C 1.875 177.863 176.000 -0.021 0.000 0.982 348 Q CA 1.835 57.628 55.803 -0.017 0.000 0.850 348 Q CB -0.293 28.434 28.738 -0.018 0.000 0.901 348 Q HN 0.793 nan 8.270 nan 0.000 0.422 349 I N -0.743 119.813 120.570 -0.023 0.000 2.852 349 I HA -0.110 4.060 4.170 -0.000 0.000 0.264 349 I C 2.347 178.448 176.117 -0.027 0.000 1.179 349 I CA 0.368 61.651 61.300 -0.029 0.000 1.480 349 I CB -0.097 37.883 38.000 -0.033 0.000 1.111 349 I HN 0.030 nan 8.210 nan 0.000 0.441 350 R N 0.926 121.413 120.500 -0.022 0.000 2.148 350 R HA -0.129 4.211 4.340 -0.000 0.000 0.223 350 R C 2.295 178.585 176.300 -0.017 0.000 1.088 350 R CA 1.028 57.116 56.100 -0.019 0.000 0.985 350 R CB -0.011 30.279 30.300 -0.016 0.000 0.880 350 R HN 0.368 nan 8.270 nan 0.000 0.451 351 Q N -0.028 119.763 119.800 -0.016 0.000 2.245 351 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 351 Q C 1.310 177.300 176.000 -0.016 0.000 0.955 351 Q CA 0.989 56.783 55.803 -0.014 0.000 0.870 351 Q CB 0.338 29.069 28.738 -0.012 0.000 0.945 351 Q HN 0.445 nan 8.270 nan 0.000 0.461 352 Q N -0.153 119.636 119.800 -0.019 0.000 2.482 352 Q HA 0.043 4.383 4.340 -0.000 0.000 0.209 352 Q C 1.491 177.477 176.000 -0.023 0.000 0.961 352 Q CA 0.214 56.005 55.803 -0.021 0.000 0.945 352 Q CB 0.336 29.058 28.738 -0.026 0.000 1.012 352 Q HN 0.447 nan 8.270 nan 0.000 0.515 353 I N 0.406 120.962 120.570 -0.022 0.000 3.226 353 I HA -0.137 4.033 4.170 -0.000 0.000 0.277 353 I C 1.605 177.713 176.117 -0.015 0.000 1.243 353 I CA 0.506 61.792 61.300 -0.022 0.000 1.459 353 I CB 0.154 38.140 38.000 -0.023 0.000 1.093 353 I HN 0.128 nan 8.210 nan 0.000 0.453 354 E N 0.982 121.174 120.200 -0.013 0.000 2.190 354 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 354 E C 1.475 178.071 176.600 -0.007 0.000 0.978 354 E CA 0.705 57.100 56.400 -0.009 0.000 0.839 354 E CB -0.135 29.560 29.700 -0.008 0.000 0.787 354 E HN 0.534 nan 8.360 nan 0.000 0.473 355 E N 1.163 121.358 120.200 -0.009 0.000 2.502 355 E HA 0.131 4.481 4.350 -0.000 0.000 0.194 355 E C 0.296 176.893 176.600 -0.005 0.000 1.062 355 E CA -0.026 56.370 56.400 -0.007 0.000 0.867 355 E CB 0.263 29.958 29.700 -0.008 0.000 0.888 355 E HN 0.054 nan 8.360 nan 0.000 0.510 356 A N 1.488 124.304 122.820 -0.006 0.000 2.451 356 A HA 0.091 4.411 4.320 -0.000 0.000 0.266 356 A C 1.235 178.822 177.584 0.006 0.000 1.119 356 A CA -0.083 51.953 52.037 -0.002 0.000 0.786 356 A CB 0.045 19.040 19.000 -0.009 0.000 1.061 356 A HN 0.205 nan 8.150 nan 0.000 0.503 357 T N -0.407 114.154 114.554 0.012 0.000 3.081 357 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 357 T C 0.672 175.386 174.700 0.025 0.000 1.100 357 T CA 0.604 62.713 62.100 0.015 0.000 1.038 357 T CB -0.078 68.798 68.868 0.013 0.000 0.962 357 T HN 0.626 nan 8.240 nan 0.000 0.516 358 S N -0.334 115.388 115.700 0.035 0.000 2.548 358 S HA 0.373 4.843 4.470 -0.000 0.000 0.286 358 S C -0.035 174.603 174.600 0.063 0.000 1.098 358 S CA -0.684 57.551 58.200 0.058 0.000 0.930 358 S CB 1.657 64.911 63.200 0.089 0.000 1.070 358 S HN 0.091 nan 8.310 nan 0.000 0.480 359 D N 1.531 121.975 120.400 0.074 0.000 2.224 359 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 359 D C 1.169 177.523 176.300 0.091 0.000 0.965 359 D CA 1.184 55.223 54.000 0.066 0.000 0.852 359 D CB -0.038 40.799 40.800 0.061 0.000 0.947 359 D HN 0.706 nan 8.370 nan 0.000 0.494 360 Y N 1.861 122.161 120.300 -0.000 0.000 2.206 360 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 360 Y C 1.585 177.480 175.900 -0.008 0.000 1.123 360 Y CA 1.465 59.565 58.100 -0.000 0.000 1.142 360 Y CB -0.081 38.382 38.460 0.004 0.000 1.006 360 Y HN -0.228 nan 8.280 nan 0.000 0.518 361 D N 0.052 120.481 120.400 0.048 0.000 2.123 361 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 361 D C 2.167 178.398 176.300 -0.114 0.000 0.992 361 D CA 1.573 55.537 54.000 -0.060 0.000 0.833 361 D CB -0.248 40.572 40.800 0.034 0.000 0.954 361 D HN 0.277 nan 8.370 nan 0.000 0.455 362 R N 0.352 120.815 120.500 -0.063 0.000 2.092 362 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 362 R C 1.787 178.033 176.300 -0.090 0.000 1.119 362 R CA 1.080 57.145 56.100 -0.059 0.000 0.970 362 R CB 0.112 30.398 30.300 -0.024 0.000 0.864 362 R HN 0.239 nan 8.270 nan 0.000 0.440 363 E N -0.142 119.985 120.200 -0.122 0.000 2.107 363 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 363 E C 1.744 178.229 176.600 -0.193 0.000 0.982 363 E CA 0.754 57.074 56.400 -0.134 0.000 0.809 363 E CB 0.191 29.822 29.700 -0.114 0.000 0.756 363 E HN 0.053 nan 8.360 nan 0.000 0.459 364 K N 0.460 120.664 120.400 -0.326 0.000 2.362 364 K HA -0.048 4.272 4.320 -0.000 0.000 0.200 364 K C 1.883 178.373 176.600 -0.183 0.000 1.046 364 K CA 0.715 56.812 56.287 -0.316 0.000 0.952 364 K CB 0.071 32.276 32.500 -0.492 0.000 0.753 364 K HN 0.231 nan 8.250 nan 0.000 0.466 365 L N -0.214 120.921 121.223 -0.146 0.000 2.354 365 L HA 0.015 4.355 4.340 -0.000 0.000 0.212 365 L C 2.082 178.909 176.870 -0.071 0.000 1.091 365 L CA 0.467 55.250 54.840 -0.096 0.000 0.828 365 L CB -0.139 41.873 42.059 -0.078 0.000 0.973 365 L HN 0.041 nan 8.230 nan 0.000 0.461 366 Q N 0.039 119.797 119.800 -0.070 0.000 2.378 366 Q HA -0.110 4.230 4.340 -0.000 0.000 0.205 366 Q C 1.813 177.787 176.000 -0.043 0.000 0.954 366 Q CA 0.740 56.514 55.803 -0.049 0.000 0.901 366 Q CB 0.235 28.948 28.738 -0.042 0.000 0.981 366 Q HN 0.489 nan 8.270 nan 0.000 0.483 367 E N 0.341 120.509 120.200 -0.054 0.000 2.107 367 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 367 E C 1.888 178.470 176.600 -0.031 0.000 0.982 367 E CA 0.595 56.971 56.400 -0.040 0.000 0.809 367 E CB 0.090 29.762 29.700 -0.048 0.000 0.756 367 E HN 0.249 nan 8.360 nan 0.000 0.459 368 R N 0.661 121.136 120.500 -0.042 0.000 2.092 368 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 368 R C 2.663 178.948 176.300 -0.025 0.000 1.119 368 R CA 1.452 57.531 56.100 -0.036 0.000 0.970 368 R CB -0.404 29.866 30.300 -0.049 0.000 0.864 368 R HN 0.186 nan 8.270 nan 0.000 0.440 369 V N -1.789 118.109 119.914 -0.027 0.000 2.407 369 V HA 0.032 4.152 4.120 -0.000 0.000 0.245 369 V C 2.346 178.432 176.094 -0.014 0.000 1.041 369 V CA 1.512 63.800 62.300 -0.020 0.000 1.040 369 V CB -0.979 30.831 31.823 -0.022 0.000 0.671 369 V HN 0.186 nan 8.190 nan 0.000 0.455 370 A N 0.264 123.076 122.820 -0.015 0.000 2.024 370 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 370 A C 2.333 179.915 177.584 -0.003 0.000 1.164 370 A CA 2.190 54.221 52.037 -0.010 0.000 0.643 370 A CB -0.531 18.462 19.000 -0.011 0.000 0.806 370 A HN 0.647 nan 8.150 nan 0.000 0.451 371 K N -1.301 119.098 120.400 -0.001 0.000 2.067 371 K HA 0.089 4.409 4.320 -0.000 0.000 0.203 371 K C 1.646 178.252 176.600 0.010 0.000 1.048 371 K CA 0.942 57.236 56.287 0.011 0.000 0.954 371 K CB -0.190 32.322 32.500 0.019 0.000 0.737 371 K HN 0.326 nan 8.250 nan 0.000 0.444 372 L N 0.253 121.477 121.223 0.002 0.000 2.179 372 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 372 L C 2.101 178.970 176.870 -0.001 0.000 1.096 372 L CA 1.310 56.150 54.840 0.000 0.000 0.779 372 L CB -0.294 41.760 42.059 -0.007 0.000 0.922 372 L HN 0.112 nan 8.230 nan 0.000 0.443 373 A N -1.201 121.616 122.820 -0.004 0.000 2.044 373 A HA 0.197 4.517 4.320 -0.000 0.000 0.213 373 A C 2.271 179.853 177.584 -0.004 0.000 1.169 373 A CA 0.873 52.907 52.037 -0.005 0.000 0.724 373 A CB -0.842 18.153 19.000 -0.007 0.000 0.840 373 A HN 0.363 nan 8.150 nan 0.000 0.463 374 G N -0.750 108.048 108.800 -0.003 0.000 2.464 374 G HA2 0.365 4.325 3.960 -0.000 0.000 0.217 374 G HA3 0.365 4.325 3.960 -0.000 0.000 0.217 374 G C 1.174 176.074 174.900 -0.001 0.000 1.138 374 G CA 0.720 45.818 45.100 -0.002 0.000 0.793 374 G HN 1.510 nan 8.290 nan 0.000 0.539 375 G N -1.231 107.571 108.800 0.002 0.000 2.601 375 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.261 375 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.261 375 G C -0.458 174.444 174.900 0.004 0.000 1.289 375 G CA 0.019 45.121 45.100 0.004 0.000 0.920 375 G HN 1.024 nan 8.290 nan 0.000 0.571 376 V N 0.859 120.775 119.914 0.002 0.000 2.462 376 V HA 0.657 4.777 4.120 -0.000 0.000 0.288 376 V C 0.750 176.842 176.094 -0.003 0.000 1.020 376 V CA 0.019 62.319 62.300 -0.000 0.000 0.857 376 V CB 0.974 32.799 31.823 0.002 0.000 1.013 376 V HN 1.976 nan 8.190 nan 0.000 0.431 377 A N 5.117 127.934 122.820 -0.005 0.000 2.477 377 A HA 0.627 4.947 4.320 -0.000 0.000 0.246 377 A C -0.280 177.301 177.584 -0.005 0.000 1.078 377 A CA 0.009 52.043 52.037 -0.005 0.000 0.770 377 A CB 0.519 19.515 19.000 -0.007 0.000 1.011 377 A HN 0.720 nan 8.150 nan 0.000 0.494 378 V N 4.441 124.353 119.914 -0.004 0.000 2.448 378 V HA 0.337 4.457 4.120 -0.000 0.000 0.295 378 V C -0.235 175.857 176.094 -0.002 0.000 1.025 378 V CA -0.193 62.105 62.300 -0.003 0.000 0.859 378 V CB 1.454 33.275 31.823 -0.003 0.000 0.988 378 V HN 0.723 nan 8.190 nan 0.000 0.431 379 I N 5.161 125.731 120.570 -0.001 0.000 2.330 379 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 379 I C 0.096 176.213 176.117 0.001 0.000 1.001 379 I CA -0.461 60.839 61.300 0.000 0.000 1.193 379 I CB 1.105 39.106 38.000 0.001 0.000 1.345 379 I HN 0.448 nan 8.210 nan 0.000 0.461 380 K N 6.084 126.483 120.400 -0.000 0.000 2.292 380 K HA 0.450 4.770 4.320 -0.000 0.000 0.270 380 K C -0.856 175.744 176.600 -0.000 0.000 1.062 380 K CA -0.587 55.700 56.287 -0.001 0.000 0.916 380 K CB 1.865 34.364 32.500 -0.002 0.000 1.166 380 K HN 0.331 nan 8.250 nan 0.000 0.458 381 V N 2.674 122.588 119.914 0.001 0.000 2.432 381 V HA 0.276 4.396 4.120 -0.000 0.000 0.271 381 V C 0.733 176.827 176.094 -0.000 0.000 1.046 381 V CA -0.591 61.709 62.300 0.001 0.000 0.945 381 V CB 1.172 32.996 31.823 0.002 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.471 382 G N 2.853 111.653 108.800 -0.001 0.000 2.400 382 G HA2 0.640 4.600 3.960 -0.000 0.000 0.333 382 G HA3 0.640 4.600 3.960 -0.000 0.000 0.333 382 G C 0.181 175.080 174.900 -0.001 0.000 1.143 382 G CA 0.137 45.237 45.100 -0.001 0.000 0.914 382 G HN 1.070 nan 8.290 nan 0.000 0.480 383 A N 0.139 122.958 122.820 -0.001 0.000 2.709 383 A HA 0.773 5.093 4.320 -0.000 0.000 0.212 383 A C 0.731 178.314 177.584 -0.002 0.000 1.280 383 A CA 1.069 53.105 52.037 -0.001 0.000 1.034 383 A CB -0.495 18.504 19.000 -0.001 0.000 1.255 383 A HN 2.755 nan 8.150 nan 0.000 0.547 384 A N -0.140 122.679 122.820 -0.002 0.000 2.435 384 A HA 0.486 4.806 4.320 -0.000 0.000 0.686 384 A C 0.928 178.511 177.584 -0.002 0.000 0.138 384 A CA 0.696 52.732 52.037 -0.002 0.000 0.024 384 A CB -2.502 16.497 19.000 -0.002 0.000 3.974 384 A HN 3.125 nan 8.150 nan 0.000 0.548 385 T N -0.278 114.275 114.554 -0.002 0.000 0.547 385 T HA -0.137 4.213 4.350 -0.000 0.000 0.773 385 T C 0.465 175.164 174.700 -0.002 0.000 0.992 385 T CA 1.773 63.871 62.100 -0.002 0.000 4.073 385 T CB -1.082 67.784 68.868 -0.002 0.000 2.301 385 T HN 2.054 nan 8.240 nan 0.000 0.397 386 E N 1.519 121.718 120.200 -0.002 0.000 2.187 386 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 386 E C 2.155 178.754 176.600 -0.002 0.000 1.004 386 E CA 2.147 58.546 56.400 -0.002 0.000 0.813 386 E CB -0.148 29.550 29.700 -0.003 0.000 0.736 386 E HN 0.716 nan 8.360 nan 0.000 0.468 387 V N 1.002 120.915 119.914 -0.003 0.000 2.287 387 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 387 V C 2.003 178.095 176.094 -0.002 0.000 1.053 387 V CA 2.267 64.565 62.300 -0.003 0.000 1.027 387 V CB -0.541 31.280 31.823 -0.003 0.000 0.646 387 V HN 0.285 nan 8.190 nan 0.000 0.447 388 E N -0.607 119.592 120.200 -0.002 0.000 2.208 388 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 388 E C 2.146 178.745 176.600 -0.002 0.000 0.988 388 E CA 0.858 57.257 56.400 -0.002 0.000 0.828 388 E CB -0.177 29.521 29.700 -0.002 0.000 0.763 388 E HN 0.456 nan 8.360 nan 0.000 0.478 389 M N 1.332 120.931 119.600 -0.002 0.000 2.066 389 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 389 M C 1.817 178.116 176.300 -0.001 0.000 1.074 389 M CA 1.611 56.910 55.300 -0.001 0.000 1.114 389 M CB -0.189 32.410 32.600 -0.002 0.000 1.306 389 M HN -0.133 nan 8.290 nan 0.000 0.411 390 K N 0.166 120.565 120.400 -0.002 0.000 2.281 390 K HA -0.165 4.155 4.320 -0.000 0.000 0.203 390 K C 1.885 178.484 176.600 -0.002 0.000 1.046 390 K CA 0.945 57.231 56.287 -0.002 0.000 0.938 390 K CB -0.369 32.130 32.500 -0.002 0.000 0.737 390 K HN 0.491 nan 8.250 nan 0.000 0.458 391 E N 1.185 121.384 120.200 -0.002 0.000 2.086 391 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 391 E C 1.794 178.394 176.600 -0.001 0.000 0.975 391 E CA 0.850 57.249 56.400 -0.002 0.000 0.813 391 E CB 0.215 29.914 29.700 -0.003 0.000 0.768 391 E HN 0.134 nan 8.360 nan 0.000 0.457 392 K N 0.918 121.317 120.400 -0.001 0.000 2.155 392 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 392 K C 2.267 178.868 176.600 0.002 0.000 1.052 392 K CA 0.916 57.203 56.287 0.000 0.000 0.948 392 K CB 0.043 32.543 32.500 0.000 0.000 0.728 392 K HN -0.084 nan 8.250 nan 0.000 0.448 393 K N 0.357 120.758 120.400 0.002 0.000 2.009 393 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 393 K C 1.921 178.524 176.600 0.005 0.000 1.049 393 K CA 1.515 57.805 56.287 0.004 0.000 0.929 393 K CB -0.197 32.304 32.500 0.002 0.000 0.714 393 K HN 0.160 nan 8.250 nan 0.000 0.440 394 A N 1.315 124.136 122.820 0.002 0.000 1.972 394 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 394 A C 2.064 179.650 177.584 0.003 0.000 1.169 394 A CA 1.205 53.243 52.037 0.001 0.000 0.635 394 A CB -0.397 18.601 19.000 -0.004 0.000 0.810 394 A HN 0.331 nan 8.150 nan 0.000 0.446 395 R N -0.676 119.827 120.500 0.004 0.000 2.092 395 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 395 R C 2.009 178.316 176.300 0.012 0.000 1.119 395 R CA 1.391 57.494 56.100 0.005 0.000 0.970 395 R CB -0.420 29.881 30.300 0.003 0.000 0.864 395 R HN 0.430 nan 8.270 nan 0.000 0.440 396 V N 1.217 121.139 119.914 0.013 0.000 2.307 396 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 396 V C 1.859 177.972 176.094 0.032 0.000 1.045 396 V CA 1.746 64.057 62.300 0.018 0.000 1.024 396 V CB -0.450 31.381 31.823 0.013 0.000 0.651 396 V HN 0.334 nan 8.190 nan 0.000 0.449 397 E N 0.015 120.235 120.200 0.034 0.000 2.267 397 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 397 E C 1.704 178.352 176.600 0.079 0.000 0.998 397 E CA 1.347 57.782 56.400 0.058 0.000 0.830 397 E CB -0.088 29.633 29.700 0.035 0.000 0.751 397 E HN 0.656 nan 8.360 nan 0.000 0.491 398 D N 0.051 120.480 120.400 0.047 0.000 2.290 398 D HA 0.016 4.656 4.640 -0.000 0.000 0.224 398 D C 1.991 178.331 176.300 0.066 0.000 0.967 398 D CA 1.009 55.037 54.000 0.047 0.000 0.893 398 D CB -0.384 40.424 40.800 0.013 0.000 1.037 398 D HN 0.099 nan 8.370 nan 0.000 0.477 399 A N 1.403 124.248 122.820 0.042 0.000 1.892 399 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 399 A C 2.197 179.804 177.584 0.040 0.000 1.188 399 A CA 1.324 53.381 52.037 0.033 0.000 0.631 399 A CB -0.911 18.100 19.000 0.019 0.000 0.822 399 A HN 0.212 nan 8.150 nan 0.000 0.447 400 L N -0.884 120.366 121.223 0.045 0.000 1.971 400 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 400 L C 2.460 179.347 176.870 0.029 0.000 1.072 400 L CA 2.612 57.470 54.840 0.030 0.000 0.758 400 L CB -0.868 41.212 42.059 0.035 0.000 0.889 400 L HN 0.581 nan 8.230 nan 0.000 0.433 401 H N -0.894 118.175 119.070 -0.002 0.000 2.422 401 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 401 H C 1.951 177.279 175.328 0.001 0.000 1.098 401 H CA 1.403 57.450 56.048 -0.002 0.000 1.315 401 H CB 0.194 29.954 29.762 -0.002 0.000 1.382 401 H HN 0.530 nan 8.280 nan 0.000 0.523 402 A N -0.052 122.838 122.820 0.117 0.000 1.840 402 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 402 A C 2.554 180.157 177.584 0.032 0.000 1.198 402 A CA 1.969 54.047 52.037 0.069 0.000 0.608 402 A CB -0.901 18.128 19.000 0.050 0.000 0.839 402 A HN 0.426 nan 8.150 nan 0.000 0.443 403 T N -0.382 114.183 114.554 0.018 0.000 3.007 403 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 403 T C 1.978 176.671 174.700 -0.012 0.000 1.107 403 T CA 0.843 62.945 62.100 0.003 0.000 1.118 403 T CB -0.205 68.664 68.868 0.001 0.000 0.889 403 T HN 0.247 nan 8.240 nan 0.000 0.506 404 R N 1.617 122.098 120.500 -0.030 0.000 2.080 404 R HA 0.027 4.367 4.340 -0.000 0.000 0.236 404 R C 2.603 178.882 176.300 -0.034 0.000 1.137 404 R CA 1.808 57.872 56.100 -0.061 0.000 0.943 404 R CB -0.960 29.252 30.300 -0.147 0.000 0.846 404 R HN 0.469 nan 8.270 nan 0.000 0.431 405 A N -0.071 122.741 122.820 -0.013 0.000 2.067 405 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 405 A C 2.194 179.782 177.584 0.007 0.000 1.156 405 A CA 1.260 53.300 52.037 0.005 0.000 0.683 405 A CB -0.258 18.759 19.000 0.028 0.000 0.808 405 A HN 0.382 nan 8.150 nan 0.000 0.455 406 A N -0.421 122.403 122.820 0.006 0.000 1.929 406 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 406 A C 2.080 179.665 177.584 0.002 0.000 1.176 406 A CA 1.608 53.649 52.037 0.006 0.000 0.628 406 A CB -0.672 18.331 19.000 0.006 0.000 0.816 406 A HN 0.351 nan 8.150 nan 0.000 0.444 407 V N 0.095 120.007 119.914 -0.003 0.000 2.667 407 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 407 V C 2.283 178.375 176.094 -0.004 0.000 1.065 407 V CA 1.990 64.287 62.300 -0.005 0.000 1.083 407 V CB -0.690 31.127 31.823 -0.010 0.000 0.692 407 V HN 0.596 nan 8.190 nan 0.000 0.468 408 E N -0.084 120.114 120.200 -0.004 0.000 2.060 408 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 408 E C 1.673 178.274 176.600 0.003 0.000 0.974 408 E CA 1.071 57.470 56.400 -0.002 0.000 0.808 408 E CB 0.111 29.809 29.700 -0.003 0.000 0.768 408 E HN 0.635 nan 8.360 nan 0.000 0.453 409 E N -0.719 119.484 120.200 0.005 0.000 2.641 409 E HA 0.207 4.557 4.350 -0.000 0.000 0.224 409 E C 0.210 176.815 176.600 0.008 0.000 0.951 409 E CA 0.136 56.540 56.400 0.007 0.000 1.102 409 E CB 1.700 31.405 29.700 0.009 0.000 1.091 409 E HN 0.222 nan 8.360 nan 0.000 0.507 410 G N 1.132 109.937 108.800 0.007 0.000 2.698 410 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.225 410 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.225 410 G C -0.388 174.518 174.900 0.010 0.000 1.345 410 G CA -0.494 44.611 45.100 0.008 0.000 0.871 410 G HN 0.414 nan 8.290 nan 0.000 0.540 411 V N -2.341 117.579 119.914 0.010 0.000 2.823 411 V HA 0.951 5.071 4.120 -0.000 0.000 0.312 411 V C 0.762 176.864 176.094 0.013 0.000 1.072 411 V CA 0.003 62.310 62.300 0.011 0.000 0.937 411 V CB 1.016 32.845 31.823 0.010 0.000 1.013 411 V HN 2.301 nan 8.190 nan 0.000 0.430 412 V N 0.075 119.997 119.914 0.014 0.000 3.145 412 V HA 1.026 5.146 4.120 -0.000 0.000 0.311 412 V C 0.533 176.634 176.094 0.013 0.000 1.238 412 V CA -0.708 61.601 62.300 0.015 0.000 1.066 412 V CB 1.398 33.231 31.823 0.017 0.000 1.144 412 V HN 1.730 nan 8.190 nan 0.000 0.465 413 A N 0.360 123.189 122.820 0.015 0.000 2.454 413 A HA 0.705 5.025 4.320 -0.000 0.000 0.260 413 A C 0.674 178.260 177.584 0.004 0.000 1.106 413 A CA 0.476 52.518 52.037 0.008 0.000 0.780 413 A CB -0.434 18.574 19.000 0.013 0.000 1.044 413 A HN 1.797 nan 8.150 nan 0.000 0.498 414 G N 0.379 109.175 108.800 -0.006 0.000 2.525 414 G HA2 0.526 4.486 3.960 -0.000 0.000 0.287 414 G HA3 0.526 4.486 3.960 -0.000 0.000 0.287 414 G C 1.102 175.995 174.900 -0.012 0.000 1.350 414 G CA -0.104 44.992 45.100 -0.007 0.000 1.039 414 G HN 2.184 nan 8.290 nan 0.000 0.513 415 G N -2.170 106.624 108.800 -0.010 0.000 2.168 415 G HA2 0.182 4.142 3.960 -0.000 0.000 0.263 415 G HA3 0.182 4.142 3.960 -0.000 0.000 0.263 415 G C 1.526 176.431 174.900 0.008 0.000 0.977 415 G CA 1.177 46.275 45.100 -0.005 0.000 0.659 415 G HN 2.536 nan 8.290 nan 0.000 0.533 416 G N -1.902 106.903 108.800 0.008 0.000 2.168 416 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.257 416 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.257 416 G C 1.772 176.682 174.900 0.017 0.000 0.997 416 G CA 1.950 47.058 45.100 0.014 0.000 0.708 416 G HN 2.253 nan 8.290 nan 0.000 0.520 417 V N -2.820 117.102 119.914 0.015 0.000 2.871 417 V HA 0.401 4.521 4.120 -0.000 0.000 0.256 417 V C 2.734 178.843 176.094 0.026 0.000 1.082 417 V CA 1.704 64.016 62.300 0.020 0.000 1.105 417 V CB -0.610 31.219 31.823 0.011 0.000 0.713 417 V HN 1.338 nan 8.190 nan 0.000 0.473 418 A N 1.277 124.110 122.820 0.021 0.000 1.865 418 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 418 A C 2.219 179.818 177.584 0.025 0.000 1.191 418 A CA 2.423 54.474 52.037 0.024 0.000 0.623 418 A CB -0.756 18.255 19.000 0.019 0.000 0.826 418 A HN 0.582 nan 8.150 nan 0.000 0.444 419 L N -0.932 120.304 121.223 0.022 0.000 2.017 419 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 419 L C 2.539 179.423 176.870 0.024 0.000 1.073 419 L CA 1.577 56.430 54.840 0.021 0.000 0.745 419 L CB -0.394 41.677 42.059 0.020 0.000 0.894 419 L HN 0.468 nan 8.230 nan 0.000 0.432 420 I N -0.497 120.089 120.570 0.027 0.000 2.493 420 I HA -0.285 3.885 4.170 -0.000 0.000 0.254 420 I C 2.733 178.873 176.117 0.038 0.000 1.160 420 I CA 0.807 62.126 61.300 0.031 0.000 1.445 420 I CB 0.029 38.049 38.000 0.033 0.000 1.086 420 I HN 0.220 nan 8.210 nan 0.000 0.433 421 R N 0.302 120.827 120.500 0.042 0.000 2.062 421 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 421 R C 1.988 178.310 176.300 0.037 0.000 1.128 421 R CA 1.719 57.847 56.100 0.048 0.000 0.960 421 R CB -0.867 29.466 30.300 0.055 0.000 0.855 421 R HN 0.192 nan 8.270 nan 0.000 0.432 422 V N 1.013 120.945 119.914 0.030 0.000 2.343 422 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 422 V C 2.314 178.420 176.094 0.021 0.000 1.051 422 V CA 1.964 64.278 62.300 0.023 0.000 1.036 422 V CB -0.874 30.960 31.823 0.019 0.000 0.654 422 V HN 0.532 nan 8.190 nan 0.000 0.451 423 A N 0.514 123.347 122.820 0.021 0.000 1.930 423 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 423 A C 2.549 180.144 177.584 0.019 0.000 1.175 423 A CA 2.108 54.157 52.037 0.018 0.000 0.627 423 A CB -0.704 18.307 19.000 0.018 0.000 0.815 423 A HN 0.685 nan 8.150 nan 0.000 0.443 424 S N -0.087 115.628 115.700 0.025 0.000 2.402 424 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 424 S C 1.611 176.224 174.600 0.022 0.000 1.021 424 S CA 1.395 59.611 58.200 0.026 0.000 0.974 424 S CB -0.357 62.864 63.200 0.035 0.000 0.800 424 S HN 0.580 nan 8.310 nan 0.000 0.484 425 K N 0.537 120.950 120.400 0.022 0.000 2.525 425 K HA 0.268 4.588 4.320 -0.000 0.000 0.192 425 K C 0.317 176.925 176.600 0.014 0.000 1.029 425 K CA 0.308 56.606 56.287 0.018 0.000 1.029 425 K CB -0.128 32.384 32.500 0.019 0.000 0.814 425 K HN 0.431 nan 8.250 nan 0.000 0.503 426 L N -0.264 120.966 121.223 0.013 0.000 3.218 426 L HA 0.258 4.598 4.340 -0.000 0.000 0.279 426 L C 1.249 178.125 176.870 0.009 0.000 1.287 426 L CA -0.237 54.609 54.840 0.010 0.000 1.024 426 L CB 0.763 42.828 42.059 0.010 0.000 1.409 426 L HN -0.013 nan 8.230 nan 0.000 0.580 427 A N -0.737 122.089 122.820 0.010 0.000 2.067 427 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 427 A C 1.517 179.105 177.584 0.007 0.000 1.156 427 A CA 1.098 53.141 52.037 0.009 0.000 0.683 427 A CB -0.058 18.948 19.000 0.009 0.000 0.808 427 A HN 0.323 nan 8.150 nan 0.000 0.455 428 D N -0.847 119.557 120.400 0.006 0.000 2.349 428 D HA 0.118 4.758 4.640 -0.000 0.000 0.214 428 D C 0.007 176.310 176.300 0.004 0.000 1.063 428 D CA -0.121 53.882 54.000 0.005 0.000 0.847 428 D CB 0.127 40.930 40.800 0.004 0.000 0.933 428 D HN 0.313 nan 8.370 nan 0.000 0.513 429 L N 2.312 123.538 121.223 0.005 0.000 2.500 429 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 429 L C 0.080 176.952 176.870 0.004 0.000 1.149 429 L CA 0.457 55.300 54.840 0.004 0.000 0.897 429 L CB 0.035 42.096 42.059 0.005 0.000 1.178 429 L HN -0.257 nan 8.230 nan 0.000 0.473 430 R N 3.206 123.708 120.500 0.003 0.000 2.892 430 R HA 0.699 5.039 4.340 -0.000 0.000 0.265 430 R C 0.049 176.351 176.300 0.003 0.000 1.025 430 R CA -0.282 55.820 56.100 0.003 0.000 0.982 430 R CB 1.458 31.759 30.300 0.003 0.000 1.185 430 R HN 0.769 nan 8.270 nan 0.000 0.484 431 G N -0.210 108.592 108.800 0.003 0.000 3.019 431 G HA2 0.162 4.122 3.960 -0.000 0.000 0.152 431 G HA3 0.162 4.122 3.960 -0.000 0.000 0.152 431 G C 0.152 175.053 174.900 0.002 0.000 1.320 431 G CA -0.056 45.045 45.100 0.002 0.000 1.013 431 G HN 0.428 nan 8.290 nan 0.000 0.593 432 Q N -0.674 119.128 119.800 0.002 0.000 2.349 432 Q HA 0.160 4.500 4.340 -0.000 0.000 0.209 432 Q C 0.119 176.120 176.000 0.002 0.000 0.920 432 Q CA 0.576 56.381 55.803 0.002 0.000 0.901 432 Q CB 0.339 29.079 28.738 0.002 0.000 1.021 432 Q HN 0.640 nan 8.270 nan 0.000 0.519 433 N N -1.716 116.986 118.700 0.003 0.000 2.697 433 N HA 0.167 4.907 4.740 -0.000 0.000 0.272 433 N C -0.078 175.434 175.510 0.003 0.000 1.381 433 N CA -0.636 52.416 53.050 0.003 0.000 0.797 433 N CB 0.786 39.274 38.487 0.003 0.000 1.523 433 N HN -0.361 nan 8.380 nan 0.000 0.518 434 K N -0.107 120.295 120.400 0.003 0.000 2.026 434 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 434 K C 0.438 177.040 176.600 0.004 0.000 1.048 434 K CA 1.645 57.934 56.287 0.003 0.000 0.929 434 K CB -0.743 31.758 32.500 0.003 0.000 0.713 434 K HN 0.657 nan 8.250 nan 0.000 0.439 435 D N 0.380 120.782 120.400 0.004 0.000 2.228 435 D HA -0.166 4.474 4.640 -0.000 0.000 0.203 435 D C 1.809 178.112 176.300 0.005 0.000 0.988 435 D CA 1.082 55.085 54.000 0.004 0.000 0.864 435 D CB 0.005 40.807 40.800 0.005 0.000 0.928 435 D HN 0.439 nan 8.370 nan 0.000 0.469 436 Q N -0.302 119.501 119.800 0.004 0.000 2.187 436 Q HA -0.027 4.313 4.340 -0.000 0.000 0.199 436 Q C 1.591 177.593 176.000 0.004 0.000 0.957 436 Q CA 0.599 56.404 55.803 0.004 0.000 0.857 436 Q CB 0.031 28.772 28.738 0.004 0.000 0.929 436 Q HN 0.243 nan 8.270 nan 0.000 0.453 437 N N 0.315 119.017 118.700 0.004 0.000 2.142 437 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 437 N C 1.841 177.354 175.510 0.005 0.000 1.023 437 N CA 0.936 53.989 53.050 0.004 0.000 0.852 437 N CB -0.352 38.137 38.487 0.004 0.000 0.998 437 N HN 0.005 nan 8.380 nan 0.000 0.424 438 V N 0.498 120.415 119.914 0.005 0.000 2.392 438 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 438 V C 2.266 178.364 176.094 0.006 0.000 1.059 438 V CA 2.003 64.306 62.300 0.005 0.000 1.051 438 V CB -1.202 30.624 31.823 0.005 0.000 0.658 438 V HN 0.391 nan 8.190 nan 0.000 0.455 439 G N -0.539 108.265 108.800 0.006 0.000 2.511 439 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 439 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 439 G C 1.518 176.422 174.900 0.006 0.000 1.133 439 G CA 0.480 45.584 45.100 0.006 0.000 0.792 439 G HN 0.506 nan 8.290 nan 0.000 0.539 440 I N 0.224 120.798 120.570 0.006 0.000 2.286 440 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 440 I C 2.577 178.698 176.117 0.007 0.000 1.104 440 I CA 0.762 62.065 61.300 0.006 0.000 1.397 440 I CB -0.032 37.971 38.000 0.005 0.000 1.072 440 I HN -0.056 nan 8.210 nan 0.000 0.417 441 K N 0.657 121.061 120.400 0.006 0.000 2.147 441 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 441 K C 2.135 178.739 176.600 0.008 0.000 1.049 441 K CA 1.056 57.347 56.287 0.007 0.000 0.936 441 K CB -0.507 31.997 32.500 0.006 0.000 0.722 441 K HN 0.222 nan 8.250 nan 0.000 0.446 442 V N 1.453 121.371 119.914 0.008 0.000 2.427 442 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 442 V C 2.459 178.559 176.094 0.010 0.000 1.051 442 V CA 1.783 64.088 62.300 0.008 0.000 1.048 442 V CB -0.705 31.123 31.823 0.009 0.000 0.666 442 V HN 0.257 nan 8.190 nan 0.000 0.456 443 A N 0.021 122.846 122.820 0.009 0.000 1.873 443 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 443 A C 2.207 179.797 177.584 0.010 0.000 1.186 443 A CA 1.679 53.722 52.037 0.010 0.000 0.616 443 A CB -0.540 18.464 19.000 0.008 0.000 0.823 443 A HN 0.481 nan 8.150 nan 0.000 0.442 444 L N -1.103 120.126 121.223 0.010 0.000 2.042 444 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 444 L C 2.878 179.755 176.870 0.012 0.000 1.076 444 L CA 1.681 56.527 54.840 0.011 0.000 0.749 444 L CB -0.454 41.611 42.059 0.010 0.000 0.893 444 L HN 0.340 nan 8.230 nan 0.000 0.432 445 R N -0.372 120.134 120.500 0.011 0.000 2.115 445 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 445 R C 2.401 178.708 176.300 0.011 0.000 1.100 445 R CA 1.003 57.109 56.100 0.010 0.000 0.980 445 R CB -0.358 29.947 30.300 0.009 0.000 0.875 445 R HN 0.330 nan 8.270 nan 0.000 0.445 446 A N 0.807 123.634 122.820 0.012 0.000 2.019 446 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 446 A C 2.005 179.598 177.584 0.014 0.000 1.164 446 A CA 1.249 53.293 52.037 0.013 0.000 0.644 446 A CB -0.340 18.668 19.000 0.014 0.000 0.805 446 A HN 0.205 nan 8.150 nan 0.000 0.449 447 M N -0.737 118.871 119.600 0.014 0.000 2.419 447 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 447 M C 1.648 177.957 176.300 0.016 0.000 1.082 447 M CA 1.081 56.391 55.300 0.016 0.000 1.119 447 M CB -0.253 32.356 32.600 0.016 0.000 1.398 447 M HN 0.451 nan 8.290 nan 0.000 0.453 448 E N 0.881 121.090 120.200 0.015 0.000 2.204 448 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 448 E C 2.177 178.784 176.600 0.011 0.000 0.989 448 E CA 0.905 57.313 56.400 0.014 0.000 0.824 448 E CB -0.212 29.495 29.700 0.012 0.000 0.756 448 E HN 0.517 nan 8.360 nan 0.000 0.477 449 A N 2.421 125.247 122.820 0.011 0.000 1.884 449 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 449 A C -0.229 177.361 177.584 0.010 0.000 1.197 449 A CA 1.679 53.722 52.037 0.010 0.000 0.637 449 A CB -1.637 17.370 19.000 0.011 0.000 0.827 449 A HN 0.157 nan 8.150 nan 0.000 0.450 450 P HA -0.190 nan 4.420 nan 0.000 0.214 450 P C 1.840 179.147 177.300 0.013 0.000 1.163 450 P CA 1.241 64.349 63.100 0.013 0.000 0.889 450 P CB -0.158 31.551 31.700 0.015 0.000 0.790 451 L N -0.951 120.281 121.223 0.014 0.000 1.994 451 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 451 L C 2.592 179.468 176.870 0.009 0.000 1.071 451 L CA 1.750 56.599 54.840 0.015 0.000 0.745 451 L CB -0.365 41.704 42.059 0.016 0.000 0.892 451 L HN -0.200 nan 8.230 nan 0.000 0.431 452 R N -0.790 119.712 120.500 0.003 0.000 2.103 452 R HA -0.264 4.076 4.340 -0.000 0.000 0.242 452 R C 2.326 178.626 176.300 -0.000 0.000 1.142 452 R CA 1.917 58.015 56.100 -0.004 0.000 0.960 452 R CB -0.400 29.899 30.300 -0.002 0.000 0.858 452 R HN 0.396 nan 8.270 nan 0.000 0.439 453 Q N 0.956 120.759 119.800 0.005 0.000 2.084 453 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 453 Q C 1.860 177.866 176.000 0.009 0.000 0.978 453 Q CA 1.606 57.413 55.803 0.006 0.000 0.844 453 Q CB -0.127 28.615 28.738 0.007 0.000 0.898 453 Q HN 0.372 nan 8.270 nan 0.000 0.426 454 I N -0.741 119.838 120.570 0.014 0.000 2.179 454 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 454 I C 2.049 178.187 176.117 0.035 0.000 1.088 454 I CA 0.934 62.247 61.300 0.023 0.000 1.357 454 I CB -0.475 37.542 38.000 0.029 0.000 1.051 454 I HN 0.035 nan 8.210 nan 0.000 0.409 455 V N 0.937 120.870 119.914 0.031 0.000 2.392 455 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 455 V C 2.452 178.551 176.094 0.008 0.000 1.059 455 V CA 1.677 63.988 62.300 0.019 0.000 1.051 455 V CB -0.600 31.191 31.823 -0.053 0.000 0.658 455 V HN 0.355 nan 8.190 nan 0.000 0.455 456 L N 0.696 121.920 121.223 0.003 0.000 2.093 456 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 456 L C 2.150 179.025 176.870 0.009 0.000 1.085 456 L CA 1.785 56.627 54.840 0.002 0.000 0.755 456 L CB -0.742 41.317 42.059 0.000 0.000 0.904 456 L HN 0.323 nan 8.230 nan 0.000 0.435 457 N N -1.365 117.343 118.700 0.013 0.000 2.453 457 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 457 N C 1.644 177.164 175.510 0.017 0.000 1.041 457 N CA 1.394 54.452 53.050 0.012 0.000 0.900 457 N CB -0.429 38.064 38.487 0.010 0.000 0.961 457 N HN 0.450 nan 8.380 nan 0.000 0.443 458 C N -1.248 118.068 119.300 0.028 0.000 2.533 458 C HA 0.344 4.804 4.460 -0.000 0.000 0.272 458 C C 1.812 176.821 174.990 0.032 0.000 1.371 458 C CA 0.422 59.463 59.018 0.038 0.000 1.758 458 C CB -0.477 27.309 27.740 0.077 0.000 1.972 458 C HN 0.581 nan 8.230 nan 0.000 0.522 459 G N 0.456 109.269 108.800 0.022 0.000 2.184 459 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.206 459 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.206 459 G C -0.261 174.646 174.900 0.012 0.000 0.995 459 G CA -0.130 44.980 45.100 0.016 0.000 0.651 459 G HN 0.478 nan 8.290 nan 0.000 0.511 460 E N 0.478 120.683 120.200 0.008 0.000 2.239 460 E HA 0.462 4.812 4.350 -0.000 0.000 0.261 460 E C -0.319 176.262 176.600 -0.031 0.000 1.016 460 E CA -0.745 55.648 56.400 -0.011 0.000 0.882 460 E CB 0.981 30.666 29.700 -0.024 0.000 1.190 460 E HN 0.425 nan 8.360 nan 0.000 0.415 461 E N 1.780 121.955 120.200 -0.041 0.000 2.052 461 E HA 0.099 4.449 4.350 -0.000 0.000 0.283 461 E C -1.715 174.854 176.600 -0.052 0.000 1.071 461 E CA -1.692 54.687 56.400 -0.036 0.000 0.851 461 E CB 0.834 30.519 29.700 -0.025 0.000 1.066 461 E HN 0.156 nan 8.360 nan 0.000 0.396 462 P HA -0.239 nan 4.420 nan 0.000 0.215 462 P C 1.372 178.650 177.300 -0.037 0.000 1.157 462 P CA 1.308 64.382 63.100 -0.044 0.000 0.868 462 P CB 0.182 31.868 31.700 -0.023 0.000 0.788 463 S N -1.220 114.466 115.700 -0.023 0.000 2.419 463 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 463 S C 2.014 176.605 174.600 -0.016 0.000 1.016 463 S CA 1.170 59.362 58.200 -0.014 0.000 0.974 463 S CB -1.713 61.481 63.200 -0.009 0.000 0.786 463 S HN -0.049 nan 8.310 nan 0.000 0.492 464 V N 1.528 121.428 119.914 -0.024 0.000 2.283 464 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 464 V C 2.630 178.714 176.094 -0.016 0.000 1.039 464 V CA 1.562 63.849 62.300 -0.021 0.000 1.016 464 V CB -0.622 31.186 31.823 -0.025 0.000 0.650 464 V HN 0.449 nan 8.190 nan 0.000 0.449 465 V N 0.171 120.055 119.914 -0.050 0.000 2.358 465 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 465 V C 2.687 178.784 176.094 0.005 0.000 1.047 465 V CA 1.696 63.964 62.300 -0.055 0.000 1.035 465 V CB -1.206 30.429 31.823 -0.313 0.000 0.658 465 V HN 0.538 nan 8.190 nan 0.000 0.452 466 A N 1.070 123.881 122.820 -0.016 0.000 1.863 466 A HA -0.407 3.913 4.320 -0.000 0.000 0.218 466 A C 2.081 179.687 177.584 0.037 0.000 1.233 466 A CA 2.895 54.939 52.037 0.012 0.000 0.655 466 A CB -1.165 17.837 19.000 0.004 0.000 0.839 466 A HN 0.614 nan 8.150 nan 0.000 0.454 467 N N -0.908 117.807 118.700 0.024 0.000 2.205 467 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 467 N C 1.558 177.090 175.510 0.038 0.000 1.015 467 N CA 2.209 55.275 53.050 0.026 0.000 0.862 467 N CB -0.465 38.028 38.487 0.009 0.000 0.986 467 N HN 0.474 nan 8.380 nan 0.000 0.429 468 T N -1.025 113.555 114.554 0.043 0.000 2.904 468 T HA -0.005 4.345 4.350 -0.000 0.000 0.267 468 T C 1.848 176.638 174.700 0.150 0.000 1.059 468 T CA 0.926 63.038 62.100 0.021 0.000 1.137 468 T CB -0.121 68.691 68.868 -0.094 0.000 0.879 468 T HN 0.028 nan 8.240 nan 0.000 0.467 469 V N 1.135 121.169 119.914 0.199 0.000 2.535 469 V HA -0.038 4.082 4.120 -0.000 0.000 0.246 469 V C 2.403 178.620 176.094 0.205 0.000 1.045 469 V CA 1.194 63.632 62.300 0.230 0.000 1.058 469 V CB -0.360 31.546 31.823 0.138 0.000 0.689 469 V HN 0.403 nan 8.190 nan 0.000 0.461 470 K N 0.519 120.994 120.400 0.125 0.000 2.113 470 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 470 K C 2.153 178.808 176.600 0.092 0.000 1.047 470 K CA 1.619 57.961 56.287 0.091 0.000 0.928 470 K CB -0.596 31.937 32.500 0.056 0.000 0.716 470 K HN 0.559 nan 8.250 nan 0.000 0.446 471 G N 0.719 109.572 108.800 0.089 0.000 2.443 471 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 471 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 471 G C 0.877 175.789 174.900 0.021 0.000 1.131 471 G CA 0.729 45.856 45.100 0.044 0.000 0.775 471 G HN 0.395 nan 8.290 nan 0.000 0.547 472 G N -0.938 107.903 108.800 0.068 0.000 2.514 472 G HA2 0.463 4.423 3.960 -0.000 0.000 0.245 472 G HA3 0.463 4.423 3.960 -0.000 0.000 0.245 472 G C -0.727 174.197 174.900 0.039 0.000 1.488 472 G CA -0.163 44.910 45.100 -0.045 0.000 1.063 472 G HN 0.182 nan 8.290 nan 0.000 0.557 473 D N -2.881 117.551 120.400 0.054 0.000 2.622 473 D HA 0.479 5.119 4.640 -0.000 0.000 0.255 473 D C 0.635 176.993 176.300 0.097 0.000 1.246 473 D CA 0.688 54.727 54.000 0.065 0.000 0.795 473 D CB 1.756 42.567 40.800 0.018 0.000 1.369 473 D HN 0.994 nan 8.370 nan 0.000 0.425 474 G N 1.492 110.338 108.800 0.077 0.000 2.543 474 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.286 474 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.286 474 G C 0.304 175.259 174.900 0.092 0.000 1.153 474 G CA 0.512 45.655 45.100 0.073 0.000 0.968 474 G HN 0.552 nan 8.290 nan 0.000 0.544 475 N N -0.159 118.603 118.700 0.103 0.000 2.273 475 N HA 0.341 5.081 4.740 -0.000 0.000 0.231 475 N C -0.121 175.470 175.510 0.134 0.000 1.134 475 N CA -0.212 52.894 53.050 0.094 0.000 0.856 475 N CB 0.364 38.889 38.487 0.062 0.000 1.068 475 N HN 0.497 nan 8.380 nan 0.000 0.510 476 Y N 1.185 121.516 120.300 0.052 0.000 2.544 476 Y HA 0.371 4.921 4.550 -0.000 0.000 0.330 476 Y C 0.772 176.736 175.900 0.106 0.000 1.136 476 Y CA 0.203 58.350 58.100 0.079 0.000 1.417 476 Y CB -0.035 38.472 38.460 0.079 0.000 1.229 476 Y HN 0.061 nan 8.280 nan 0.000 0.532 477 G N 4.268 112.831 108.800 -0.395 0.000 2.947 477 G HA2 0.308 4.268 3.960 -0.000 0.000 0.293 477 G HA3 0.308 4.268 3.960 -0.000 0.000 0.293 477 G C -2.348 172.356 174.900 -0.328 0.000 1.243 477 G CA -0.857 44.068 45.100 -0.292 0.000 0.802 477 G HN 0.576 nan 8.290 nan 0.000 0.560 478 Y N 1.046 121.117 120.300 -0.383 0.000 2.376 478 Y HA 0.622 5.172 4.550 -0.000 0.000 0.340 478 Y C -0.552 175.148 175.900 -0.333 0.000 0.965 478 Y CA -1.253 56.509 58.100 -0.564 0.000 1.078 478 Y CB 1.943 39.937 38.460 -0.776 0.000 1.193 478 Y HN 0.434 nan 8.280 nan 0.000 0.452 479 N N 4.498 122.728 118.700 -0.784 0.000 2.420 479 N HA 0.235 4.975 4.740 -0.000 0.000 0.249 479 N C 0.412 175.388 175.510 -0.890 0.000 1.033 479 N CA 0.660 53.343 53.050 -0.612 0.000 0.944 479 N CB 1.705 39.959 38.487 -0.387 0.000 1.113 479 N HN 0.971 nan 8.380 nan 0.000 0.502 480 A N 4.266 126.770 122.820 -0.526 0.000 1.902 480 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 480 A C 2.071 179.521 177.584 -0.224 0.000 1.181 480 A CA 1.821 53.671 52.037 -0.312 0.000 0.623 480 A CB -0.765 18.192 19.000 -0.072 0.000 0.818 480 A HN 0.733 nan 8.150 nan 0.000 0.443 481 A N -0.382 122.325 122.820 -0.188 0.000 1.883 481 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 481 A C 2.431 179.936 177.584 -0.132 0.000 1.186 481 A CA 2.694 54.657 52.037 -0.124 0.000 0.624 481 A CB -1.240 17.699 19.000 -0.101 0.000 0.822 481 A HN 0.819 nan 8.150 nan 0.000 0.444 482 T N -4.389 110.051 114.554 -0.190 0.000 3.057 482 T HA 0.192 4.542 4.350 -0.000 0.000 0.254 482 T C 0.493 175.084 174.700 -0.181 0.000 1.094 482 T CA 0.888 62.893 62.100 -0.159 0.000 1.088 482 T CB -0.201 68.582 68.868 -0.142 0.000 0.934 482 T HN 0.589 nan 8.240 nan 0.000 0.497 483 E N 0.553 120.547 120.200 -0.344 0.000 2.957 483 E HA -0.118 4.232 4.350 -0.000 0.000 0.287 483 E C -0.851 175.619 176.600 -0.216 0.000 0.976 483 E CA 0.467 56.703 56.400 -0.274 0.000 0.907 483 E CB -0.880 28.846 29.700 0.044 0.000 1.456 483 E HN 0.639 nan 8.360 nan 0.000 0.421 484 E N -0.405 119.529 120.200 -0.444 0.000 2.244 484 E HA 0.444 4.794 4.350 -0.000 0.000 0.266 484 E C -0.555 175.885 176.600 -0.266 0.000 0.914 484 E CA -0.554 55.742 56.400 -0.173 0.000 0.794 484 E CB 1.027 30.676 29.700 -0.084 0.000 1.210 484 E HN 0.038 nan 8.360 nan 0.000 0.414 485 Y N -0.291 120.031 120.300 0.038 0.000 2.453 485 Y HA 0.619 5.169 4.550 -0.000 0.000 0.326 485 Y C 1.022 176.935 175.900 0.023 0.000 1.186 485 Y CA 0.394 58.492 58.100 -0.004 0.000 1.200 485 Y CB 2.134 40.658 38.460 0.108 0.000 1.247 485 Y HN 0.719 nan 8.280 nan 0.000 0.482 486 G N 1.106 109.959 108.800 0.088 0.000 2.346 486 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.294 486 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.294 486 G C -1.650 173.321 174.900 0.119 0.000 1.294 486 G CA -1.280 43.972 45.100 0.254 0.000 0.962 486 G HN 0.553 nan 8.290 nan 0.000 0.508 487 N N 0.917 119.712 118.700 0.158 0.000 2.440 487 N HA 0.091 4.831 4.740 -0.000 0.000 0.265 487 N C 1.747 177.274 175.510 0.028 0.000 1.239 487 N CA -0.203 52.909 53.050 0.104 0.000 0.909 487 N CB 0.626 39.171 38.487 0.096 0.000 1.066 487 N HN 0.416 nan 8.380 nan 0.000 0.474 488 M N 3.476 123.078 119.600 0.005 0.000 2.254 488 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 488 M C 1.583 177.875 176.300 -0.013 0.000 1.066 488 M CA 0.652 55.936 55.300 -0.027 0.000 1.123 488 M CB -0.355 32.224 32.600 -0.035 0.000 1.388 488 M HN 0.530 nan 8.290 nan 0.000 0.425 489 I N 0.858 121.431 120.570 0.006 0.000 2.202 489 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 489 I C 1.788 177.907 176.117 0.004 0.000 1.091 489 I CA 1.436 62.740 61.300 0.007 0.000 1.368 489 I CB -1.537 36.473 38.000 0.016 0.000 1.058 489 I HN 0.215 nan 8.210 nan 0.000 0.410 490 D N 0.548 120.954 120.400 0.011 0.000 2.144 490 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 490 D C 2.269 178.568 176.300 -0.002 0.000 0.984 490 D CA 1.173 55.178 54.000 0.010 0.000 0.834 490 D CB -0.228 40.585 40.800 0.022 0.000 0.955 490 D HN 0.320 nan 8.370 nan 0.000 0.465 491 M N -0.946 118.647 119.600 -0.013 0.000 2.562 491 M HA 0.118 4.598 4.480 -0.000 0.000 0.257 491 M C 1.525 177.804 176.300 -0.034 0.000 1.099 491 M CA 0.975 56.257 55.300 -0.030 0.000 1.099 491 M CB 0.500 33.067 32.600 -0.056 0.000 1.427 491 M HN 0.239 nan 8.290 nan 0.000 0.489 492 G N 0.906 109.691 108.800 -0.026 0.000 2.493 492 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 492 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 492 G C 0.266 175.151 174.900 -0.025 0.000 1.109 492 G CA -0.524 44.562 45.100 -0.023 0.000 0.689 492 G HN 0.345 nan 8.290 nan 0.000 0.516 493 I N 3.211 123.758 120.570 -0.038 0.000 2.792 493 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 493 I C 0.338 176.439 176.117 -0.026 0.000 1.166 493 I CA 0.610 61.887 61.300 -0.038 0.000 1.375 493 I CB -0.398 37.566 38.000 -0.059 0.000 1.421 493 I HN 0.417 nan 8.210 nan 0.000 0.544 494 L N 4.380 125.594 121.223 -0.015 0.000 2.469 494 L HA 0.722 5.062 4.340 -0.000 0.000 0.256 494 L C -1.188 175.682 176.870 0.000 0.000 1.006 494 L CA -0.903 53.933 54.840 -0.006 0.000 0.832 494 L CB 1.524 43.582 42.059 -0.002 0.000 1.421 494 L HN 0.088 nan 8.230 nan 0.000 0.410 495 D N 0.223 120.627 120.400 0.005 0.000 2.342 495 D HA 0.525 5.165 4.640 -0.000 0.000 0.243 495 D C -2.721 173.587 176.300 0.014 0.000 1.019 495 D CA -1.365 52.642 54.000 0.011 0.000 0.864 495 D CB 2.320 43.128 40.800 0.012 0.000 1.315 495 D HN 0.357 nan 8.370 nan 0.000 0.468 496 P HA 0.085 nan 4.420 nan 0.000 0.271 496 P C 0.777 178.089 177.300 0.020 0.000 1.220 496 P CA -0.030 63.082 63.100 0.019 0.000 0.768 496 P CB 0.495 32.211 31.700 0.026 0.000 0.848 497 T N 1.858 116.422 114.554 0.017 0.000 2.918 497 T HA -0.208 4.142 4.350 -0.000 0.000 0.271 497 T C 1.514 176.225 174.700 0.018 0.000 1.104 497 T CA 1.376 63.485 62.100 0.016 0.000 1.114 497 T CB -0.219 68.657 68.868 0.012 0.000 0.855 497 T HN 0.495 nan 8.240 nan 0.000 0.518 498 K N 0.809 121.223 120.400 0.023 0.000 2.098 498 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 498 K C 2.468 179.092 176.600 0.041 0.000 1.051 498 K CA 0.927 57.231 56.287 0.029 0.000 0.957 498 K CB -0.106 32.413 32.500 0.032 0.000 0.738 498 K HN 0.322 nan 8.250 nan 0.000 0.447 499 V N -0.694 119.245 119.914 0.043 0.000 2.307 499 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 499 V C 1.798 177.920 176.094 0.047 0.000 1.045 499 V CA 2.273 64.603 62.300 0.050 0.000 1.024 499 V CB -1.109 30.741 31.823 0.044 0.000 0.651 499 V HN 0.221 nan 8.190 nan 0.000 0.449 500 T N 0.397 114.972 114.554 0.034 0.000 2.833 500 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 500 T C 2.007 176.724 174.700 0.027 0.000 1.054 500 T CA 2.018 64.136 62.100 0.029 0.000 1.135 500 T CB -0.405 68.477 68.868 0.022 0.000 0.869 500 T HN 0.631 nan 8.240 nan 0.000 0.466 501 R N 0.879 121.392 120.500 0.022 0.000 2.073 501 R HA -0.019 4.321 4.340 -0.000 0.000 0.229 501 R C 2.478 178.782 176.300 0.006 0.000 1.120 501 R CA 1.395 57.499 56.100 0.007 0.000 0.967 501 R CB -0.313 29.986 30.300 -0.002 0.000 0.862 501 R HN 0.218 nan 8.270 nan 0.000 0.436 502 S N 0.707 116.430 115.700 0.039 0.000 2.356 502 S HA -0.110 4.360 4.470 -0.000 0.000 0.223 502 S C 1.983 176.675 174.600 0.153 0.000 1.032 502 S CA 1.276 59.529 58.200 0.087 0.000 1.005 502 S CB -0.202 63.093 63.200 0.157 0.000 0.867 502 S HN 0.573 nan 8.310 nan 0.000 0.449 503 A N 0.655 123.547 122.820 0.121 0.000 2.019 503 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 503 A C 2.070 179.711 177.584 0.094 0.000 1.164 503 A CA 1.100 53.208 52.037 0.118 0.000 0.644 503 A CB -0.431 18.612 19.000 0.072 0.000 0.805 503 A HN 0.428 nan 8.150 nan 0.000 0.449 504 L N -0.969 120.287 121.223 0.054 0.000 2.162 504 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 504 L C 2.379 179.256 176.870 0.011 0.000 1.086 504 L CA 1.707 56.565 54.840 0.030 0.000 0.778 504 L CB -0.402 41.665 42.059 0.013 0.000 0.928 504 L HN 0.428 nan 8.230 nan 0.000 0.446 505 Q N -1.719 118.062 119.800 -0.033 0.000 2.049 505 Q HA -0.175 4.165 4.340 -0.000 0.000 0.198 505 Q C 2.120 178.058 176.000 -0.104 0.000 0.971 505 Q CA 1.852 57.588 55.803 -0.111 0.000 0.833 505 Q CB -0.252 28.351 28.738 -0.226 0.000 0.896 505 Q HN 0.467 nan 8.270 nan 0.000 0.434 506 Y N 0.500 120.804 120.300 0.007 0.000 2.114 506 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 506 Y C 2.459 178.362 175.900 0.006 0.000 1.143 506 Y CA 1.134 59.237 58.100 0.006 0.000 1.135 506 Y CB -0.880 37.583 38.460 0.005 0.000 0.980 506 Y HN 0.144 nan 8.280 nan 0.000 0.499 507 A N 0.084 123.002 122.820 0.163 0.000 1.958 507 A HA -0.273 4.047 4.320 -0.000 0.000 0.221 507 A C 2.426 180.047 177.584 0.061 0.000 1.178 507 A CA 2.416 54.507 52.037 0.090 0.000 0.642 507 A CB -1.293 17.747 19.000 0.066 0.000 0.816 507 A HN 0.449 nan 8.150 nan 0.000 0.453 508 A N -1.547 121.300 122.820 0.045 0.000 1.970 508 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 508 A C 2.386 179.987 177.584 0.028 0.000 1.170 508 A CA 1.742 53.794 52.037 0.025 0.000 0.645 508 A CB -0.794 18.210 19.000 0.007 0.000 0.816 508 A HN 0.524 nan 8.150 nan 0.000 0.447 509 S N -0.742 114.981 115.700 0.039 0.000 2.351 509 S HA -0.157 4.313 4.470 -0.000 0.000 0.220 509 S C 1.975 176.608 174.600 0.056 0.000 1.035 509 S CA 1.883 60.112 58.200 0.047 0.000 1.031 509 S CB -0.479 62.775 63.200 0.090 0.000 0.928 509 S HN 0.440 nan 8.310 nan 0.000 0.433 510 V N 1.405 121.363 119.914 0.073 0.000 2.379 510 V HA 0.072 4.192 4.120 -0.000 0.000 0.245 510 V C 2.555 178.673 176.094 0.040 0.000 1.044 510 V CA 1.848 64.183 62.300 0.058 0.000 1.036 510 V CB -0.889 30.970 31.823 0.061 0.000 0.664 510 V HN 0.565 nan 8.190 nan 0.000 0.453 511 A N 0.034 122.877 122.820 0.038 0.000 1.933 511 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 511 A C 2.337 179.936 177.584 0.025 0.000 1.175 511 A CA 1.851 53.905 52.037 0.028 0.000 0.628 511 A CB -1.384 17.632 19.000 0.026 0.000 0.814 511 A HN 0.638 nan 8.150 nan 0.000 0.444 512 G N 0.152 108.967 108.800 0.025 0.000 2.491 512 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 512 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 512 G C 1.565 176.478 174.900 0.022 0.000 1.180 512 G CA 1.204 46.316 45.100 0.021 0.000 0.774 512 G HN 0.441 nan 8.290 nan 0.000 0.562 513 L N -0.402 120.836 121.223 0.025 0.000 1.989 513 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 513 L C 3.103 179.987 176.870 0.024 0.000 1.071 513 L CA 1.384 56.239 54.840 0.024 0.000 0.749 513 L CB -0.361 41.715 42.059 0.027 0.000 0.890 513 L HN 0.215 nan 8.230 nan 0.000 0.431 514 M N -0.678 118.937 119.600 0.024 0.000 2.106 514 M HA -0.270 4.210 4.480 -0.000 0.000 0.259 514 M C 2.282 178.595 176.300 0.022 0.000 1.068 514 M CA 1.922 57.236 55.300 0.024 0.000 1.100 514 M CB -0.284 32.330 32.600 0.024 0.000 1.351 514 M HN 0.208 nan 8.290 nan 0.000 0.404 515 I N -0.503 120.079 120.570 0.020 0.000 2.315 515 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 515 I C 2.267 178.395 176.117 0.019 0.000 1.117 515 I CA 1.632 62.944 61.300 0.018 0.000 1.404 515 I CB -0.294 37.716 38.000 0.017 0.000 1.071 515 I HN 0.404 nan 8.210 nan 0.000 0.419 516 T N -2.900 111.666 114.554 0.020 0.000 3.113 516 T HA 0.036 4.386 4.350 -0.000 0.000 0.256 516 T C 0.876 175.591 174.700 0.026 0.000 1.131 516 T CA 0.030 62.143 62.100 0.021 0.000 1.074 516 T CB -0.836 68.044 68.868 0.020 0.000 0.944 516 T HN 0.087 nan 8.240 nan 0.000 0.516 517 T N 3.011 117.580 114.554 0.025 0.000 2.888 517 T HA 0.161 4.511 4.350 -0.000 0.000 0.301 517 T C 0.704 175.424 174.700 0.033 0.000 1.001 517 T CA -0.274 61.843 62.100 0.028 0.000 1.147 517 T CB 1.036 69.919 68.868 0.025 0.000 0.931 517 T HN 0.180 nan 8.240 nan 0.000 0.541 518 E N 0.263 120.490 120.200 0.044 0.000 2.514 518 E HA 0.172 4.522 4.350 -0.000 0.000 0.215 518 E C 0.334 176.980 176.600 0.075 0.000 0.946 518 E CA 0.028 56.471 56.400 0.070 0.000 1.038 518 E CB 0.741 30.494 29.700 0.088 0.000 1.069 518 E HN 0.594 nan 8.360 nan 0.000 0.503 519 C N 0.227 119.538 119.300 0.018 0.000 3.080 519 C HA 0.745 5.205 4.460 -0.000 0.000 0.307 519 C C -1.378 173.571 174.990 -0.067 0.000 1.311 519 C CA -0.518 58.445 59.018 -0.092 0.000 1.533 519 C CB 0.980 28.650 27.740 -0.115 0.000 1.970 519 C HN 0.156 nan 8.230 nan 0.000 0.467 520 M N 4.144 123.690 119.600 -0.091 0.000 2.234 520 M HA 0.380 4.860 4.480 -0.000 0.000 0.267 520 M C -1.405 174.976 176.300 0.135 0.000 1.022 520 M CA -0.309 55.044 55.300 0.088 0.000 0.993 520 M CB 1.868 34.643 32.600 0.293 0.000 1.836 520 M HN 0.403 nan 8.290 nan 0.000 0.479 521 V N 1.725 121.648 119.914 0.016 0.000 2.459 521 V HA 0.810 4.930 4.120 -0.000 0.000 0.295 521 V C -0.080 175.937 176.094 -0.128 0.000 1.029 521 V CA -0.327 61.953 62.300 -0.033 0.000 0.874 521 V CB 1.834 33.631 31.823 -0.044 0.000 0.985 521 V HN 0.927 nan 8.190 nan 0.000 0.438 522 T N 1.956 116.390 114.554 -0.200 0.000 2.681 522 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 522 T C -1.597 172.989 174.700 -0.190 0.000 1.157 522 T CA -0.559 61.367 62.100 -0.289 0.000 1.025 522 T CB 2.019 70.513 68.868 -0.623 0.000 1.441 522 T HN 0.677 nan 8.240 nan 0.000 0.504 523 D N 1.083 121.380 120.400 -0.172 0.000 2.340 523 D HA 0.425 5.065 4.640 -0.000 0.000 0.251 523 D C -0.156 176.090 176.300 -0.090 0.000 1.080 523 D CA -0.294 53.645 54.000 -0.101 0.000 0.971 523 D CB 1.138 41.892 40.800 -0.077 0.000 1.137 523 D HN 0.223 nan 8.370 nan 0.000 0.475 524 L N 2.069 123.266 121.223 -0.043 0.000 2.439 524 L HA 0.193 4.533 4.340 -0.000 0.000 0.269 524 L C -1.585 175.269 176.870 -0.026 0.000 1.179 524 L CA -0.652 54.176 54.840 -0.019 0.000 0.828 524 L CB -0.422 41.636 42.059 -0.002 0.000 1.106 524 L HN 0.273 nan 8.230 nan 0.000 0.467 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 525 P CB 0.000 31.701 31.700 0.001 0.000 0.726