REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1svt_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 3 A N 2.340 125.151 122.820 -0.014 0.000 2.584 3 A HA 0.460 4.780 4.320 -0.001 0.000 0.239 3 A C 0.326 177.897 177.584 -0.021 0.000 1.043 3 A CA 0.545 52.575 52.037 -0.012 0.000 0.756 3 A CB -0.153 18.842 19.000 -0.008 0.000 0.963 3 A HN 0.597 nan 8.150 nan 0.000 0.511 4 K N 1.748 122.138 120.400 -0.017 0.000 2.098 4 K HA 0.375 4.694 4.320 -0.001 0.000 0.258 4 K C -0.836 175.755 176.600 -0.016 0.000 0.973 4 K CA -0.649 55.621 56.287 -0.027 0.000 0.898 4 K CB 1.356 33.845 32.500 -0.018 0.000 1.057 4 K HN 0.743 nan 8.250 nan 0.000 0.447 5 D N 1.494 121.876 120.400 -0.030 0.000 2.256 5 D HA 0.292 4.932 4.640 -0.001 0.000 0.240 5 D C -1.127 175.235 176.300 0.103 0.000 1.062 5 D CA -0.566 53.453 54.000 0.032 0.000 0.832 5 D CB 1.212 42.008 40.800 -0.007 0.000 1.135 5 D HN 0.243 nan 8.370 nan 0.000 0.484 6 V N 1.147 121.103 119.914 0.071 0.000 2.604 6 V HA 0.687 4.807 4.120 -0.001 0.000 0.305 6 V C -0.787 175.184 176.094 -0.205 0.000 1.043 6 V CA -0.657 61.610 62.300 -0.054 0.000 0.888 6 V CB 1.863 33.562 31.823 -0.207 0.000 0.995 6 V HN 0.387 nan 8.190 nan 0.000 0.429 7 K N 3.967 124.128 120.400 -0.399 0.000 2.371 7 K HA 0.647 4.967 4.320 -0.001 0.000 0.251 7 K C -1.772 174.436 176.600 -0.652 0.000 0.934 7 K CA -0.446 55.529 56.287 -0.520 0.000 0.798 7 K CB 2.458 34.508 32.500 -0.749 0.000 1.204 7 K HN 0.743 nan 8.250 nan 0.000 0.427 8 F N 0.175 120.058 119.950 -0.111 0.000 2.492 8 F HA 0.334 4.861 4.527 -0.001 0.000 0.327 8 F C 1.342 177.094 175.800 -0.081 0.000 1.079 8 F CA 0.311 58.267 58.000 -0.074 0.000 0.967 8 F CB 1.856 40.831 39.000 -0.042 0.000 1.169 8 F HN 0.875 nan 8.300 nan 0.000 0.472 9 G N 2.499 111.413 108.800 0.190 0.000 2.685 9 G HA2 -0.533 3.427 3.960 -0.001 0.000 0.329 9 G HA3 -0.533 3.427 3.960 -0.001 0.000 0.329 9 G C 1.062 175.974 174.900 0.021 0.000 1.271 9 G CA 1.265 46.419 45.100 0.090 0.000 1.003 9 G HN 0.858 nan 8.290 nan 0.000 0.549 10 N N 0.784 119.492 118.700 0.013 0.000 2.166 10 N HA -0.060 4.679 4.740 -0.001 0.000 0.186 10 N C 1.698 177.184 175.510 -0.041 0.000 1.019 10 N CA 2.311 55.354 53.050 -0.010 0.000 0.856 10 N CB -0.192 38.292 38.487 -0.006 0.000 0.993 10 N HN 0.514 nan 8.380 nan 0.000 0.426 11 D N 0.197 120.564 120.400 -0.055 0.000 2.084 11 D HA -0.072 4.568 4.640 -0.001 0.000 0.196 11 D C 1.990 178.178 176.300 -0.186 0.000 0.985 11 D CA 1.434 55.369 54.000 -0.108 0.000 0.826 11 D CB -0.850 39.878 40.800 -0.120 0.000 0.978 11 D HN 0.424 nan 8.370 nan 0.000 0.456 12 A N 1.120 123.802 122.820 -0.230 0.000 1.884 12 A HA -0.280 4.039 4.320 -0.001 0.000 0.219 12 A C 2.194 179.669 177.584 -0.182 0.000 1.197 12 A CA 1.955 53.802 52.037 -0.316 0.000 0.637 12 A CB -0.627 18.224 19.000 -0.247 0.000 0.827 12 A HN 0.141 nan 8.150 nan 0.000 0.450 13 R N -1.102 119.340 120.500 -0.097 0.000 2.092 13 R HA -0.046 4.293 4.340 -0.001 0.000 0.231 13 R C 2.085 178.359 176.300 -0.043 0.000 1.119 13 R CA 1.329 57.398 56.100 -0.050 0.000 0.970 13 R CB -0.478 29.805 30.300 -0.027 0.000 0.864 13 R HN 0.407 nan 8.270 nan 0.000 0.440 14 V N 1.694 121.578 119.914 -0.050 0.000 2.295 14 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 14 V C 2.181 178.258 176.094 -0.029 0.000 1.049 14 V CA 1.629 63.910 62.300 -0.033 0.000 1.024 14 V CB -0.354 31.451 31.823 -0.030 0.000 0.648 14 V HN 0.259 nan 8.190 nan 0.000 0.447 15 K N -0.348 120.019 120.400 -0.054 0.000 2.020 15 K HA -0.231 4.089 4.320 -0.001 0.000 0.212 15 K C 2.137 178.747 176.600 0.016 0.000 1.050 15 K CA 1.927 58.205 56.287 -0.015 0.000 0.929 15 K CB -0.700 31.780 32.500 -0.034 0.000 0.714 15 K HN 0.417 nan 8.250 nan 0.000 0.443 16 M N 0.708 120.306 119.600 -0.003 0.000 2.144 16 M HA -0.211 4.269 4.480 -0.001 0.000 0.260 16 M C 2.092 178.404 176.300 0.021 0.000 1.067 16 M CA 1.397 56.710 55.300 0.022 0.000 1.095 16 M CB -0.045 32.559 32.600 0.007 0.000 1.365 16 M HN 0.106 nan 8.290 nan 0.000 0.406 17 L N 0.034 121.263 121.223 0.009 0.000 2.095 17 L HA -0.062 4.277 4.340 -0.001 0.000 0.204 17 L C 2.224 179.102 176.870 0.014 0.000 1.080 17 L CA 1.618 56.464 54.840 0.010 0.000 0.759 17 L CB -0.569 41.492 42.059 0.004 0.000 0.914 17 L HN 0.177 nan 8.230 nan 0.000 0.439 18 R N -0.352 120.157 120.500 0.015 0.000 2.105 18 R HA -0.129 4.211 4.340 -0.001 0.000 0.239 18 R C 2.153 178.467 176.300 0.023 0.000 1.135 18 R CA 1.170 57.281 56.100 0.018 0.000 0.967 18 R CB -0.945 29.367 30.300 0.021 0.000 0.861 18 R HN 0.592 nan 8.270 nan 0.000 0.442 19 G N 0.699 109.517 108.800 0.030 0.000 2.480 19 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.216 19 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.216 19 G C 1.481 176.395 174.900 0.023 0.000 1.200 19 G CA 1.042 46.161 45.100 0.031 0.000 0.782 19 G HN 0.138 nan 8.290 nan 0.000 0.554 20 V N 1.544 121.471 119.914 0.022 0.000 2.278 20 V HA -0.335 3.784 4.120 -0.001 0.000 0.251 20 V C 2.517 178.620 176.094 0.015 0.000 1.062 20 V CA 2.413 64.724 62.300 0.018 0.000 1.038 20 V CB -0.962 30.872 31.823 0.017 0.000 0.646 20 V HN 0.471 nan 8.190 nan 0.000 0.447 21 N N -0.150 118.559 118.700 0.014 0.000 2.084 21 N HA -0.143 4.596 4.740 -0.001 0.000 0.190 21 N C 1.788 177.304 175.510 0.011 0.000 1.030 21 N CA 1.386 54.443 53.050 0.012 0.000 0.849 21 N CB -0.298 38.196 38.487 0.010 0.000 1.012 21 N HN 0.309 nan 8.380 nan 0.000 0.423 22 V N 1.962 121.883 119.914 0.012 0.000 2.231 22 V HA -0.260 3.860 4.120 -0.001 0.000 0.250 22 V C 2.258 178.358 176.094 0.009 0.000 1.058 22 V CA 1.505 63.811 62.300 0.010 0.000 1.022 22 V CB -0.740 31.090 31.823 0.012 0.000 0.640 22 V HN 0.371 nan 8.190 nan 0.000 0.445 23 L N 0.838 122.068 121.223 0.011 0.000 1.943 23 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 23 L C 2.583 179.459 176.870 0.010 0.000 1.074 23 L CA 2.873 57.719 54.840 0.010 0.000 0.759 23 L CB -1.807 40.259 42.059 0.012 0.000 0.888 23 L HN 0.306 nan 8.230 nan 0.000 0.433 24 A N -0.124 122.703 122.820 0.011 0.000 1.884 24 A HA -0.301 4.019 4.320 -0.001 0.000 0.219 24 A C 1.936 179.525 177.584 0.009 0.000 1.197 24 A CA 2.251 54.295 52.037 0.011 0.000 0.637 24 A CB -1.128 17.880 19.000 0.012 0.000 0.827 24 A HN 0.641 nan 8.150 nan 0.000 0.450 25 D N -0.198 120.206 120.400 0.008 0.000 2.190 25 D HA -0.090 4.550 4.640 -0.001 0.000 0.200 25 D C 2.047 178.349 176.300 0.004 0.000 0.992 25 D CA 1.549 55.553 54.000 0.006 0.000 0.854 25 D CB -0.390 40.413 40.800 0.005 0.000 0.936 25 D HN 0.507 nan 8.370 nan 0.000 0.462 26 A N 0.087 122.909 122.820 0.004 0.000 2.016 26 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 26 A C 2.388 179.973 177.584 0.003 0.000 1.162 26 A CA 0.574 52.612 52.037 0.002 0.000 0.662 26 A CB -0.059 18.942 19.000 0.002 0.000 0.812 26 A HN 0.151 nan 8.150 nan 0.000 0.450 27 V N -0.303 119.614 119.914 0.005 0.000 2.500 27 V HA -0.115 4.005 4.120 -0.001 0.000 0.243 27 V C 2.195 178.292 176.094 0.006 0.000 1.039 27 V CA 1.556 63.859 62.300 0.005 0.000 1.053 27 V CB -0.495 31.333 31.823 0.008 0.000 0.695 27 V HN 0.462 nan 8.190 nan 0.000 0.463 28 K N 0.696 121.100 120.400 0.007 0.000 2.189 28 K HA -0.222 4.098 4.320 -0.001 0.000 0.207 28 K C 1.974 178.577 176.600 0.005 0.000 1.046 28 K CA 1.939 58.230 56.287 0.007 0.000 0.928 28 K CB -0.492 32.012 32.500 0.006 0.000 0.720 28 K HN 0.587 nan 8.250 nan 0.000 0.458 29 V N -0.930 118.986 119.914 0.003 0.000 3.078 29 V HA -0.137 3.982 4.120 -0.001 0.000 0.265 29 V C 1.898 177.993 176.094 0.002 0.000 1.122 29 V CA 1.962 64.264 62.300 0.002 0.000 1.141 29 V CB -1.093 30.730 31.823 0.000 0.000 0.735 29 V HN 0.336 nan 8.190 nan 0.000 0.498 30 T N -2.285 112.270 114.554 0.002 0.000 3.107 30 T HA 0.282 4.632 4.350 -0.001 0.000 0.249 30 T C 0.504 175.206 174.700 0.002 0.000 1.096 30 T CA -0.096 62.005 62.100 0.001 0.000 1.012 30 T CB -0.154 68.714 68.868 -0.000 0.000 0.977 30 T HN 0.378 nan 8.240 nan 0.000 0.527 31 L N 2.449 123.675 121.223 0.005 0.000 2.416 31 L HA 0.574 4.913 4.340 -0.001 0.000 0.272 31 L C 0.665 177.539 176.870 0.007 0.000 1.161 31 L CA 1.502 56.346 54.840 0.007 0.000 0.845 31 L CB -0.268 41.797 42.059 0.010 0.000 1.119 31 L HN 0.657 nan 8.230 nan 0.000 0.464 32 G N 4.147 112.951 108.800 0.007 0.000 2.662 32 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.686 32 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.686 32 G C -2.289 172.612 174.900 0.002 0.000 1.271 32 G CA -0.326 44.779 45.100 0.008 0.000 0.816 32 G HN 0.544 nan 8.290 nan 0.000 0.608 33 P HA 0.006 nan 4.420 nan 0.000 0.221 33 P C 0.977 178.273 177.300 -0.007 0.000 1.150 33 P CA 1.171 64.266 63.100 -0.010 0.000 0.800 33 P CB 0.126 31.813 31.700 -0.021 0.000 0.787 34 K N 0.384 120.784 120.400 -0.001 0.000 2.500 34 K HA 0.221 4.541 4.320 -0.001 0.000 0.206 34 K C 1.118 177.719 176.600 0.002 0.000 1.034 34 K CA -0.208 56.079 56.287 0.000 0.000 1.179 34 K CB 0.127 32.631 32.500 0.005 0.000 0.884 34 K HN 0.069 nan 8.250 nan 0.000 0.493 35 G N 1.535 110.336 108.800 0.001 0.000 2.491 35 G HA2 0.033 3.992 3.960 -0.001 0.000 0.238 35 G HA3 0.033 3.992 3.960 -0.001 0.000 0.238 35 G C -0.068 174.831 174.900 -0.002 0.000 1.277 35 G CA -0.297 44.804 45.100 0.000 0.000 0.851 35 G HN 0.227 nan 8.290 nan 0.000 0.573 36 R N 0.786 121.285 120.500 -0.002 0.000 2.875 36 R HA 0.373 4.712 4.340 -0.001 0.000 0.251 36 R C -0.394 175.903 176.300 -0.005 0.000 1.123 36 R CA -1.017 55.081 56.100 -0.004 0.000 1.064 36 R CB 1.019 31.317 30.300 -0.003 0.000 1.205 36 R HN 0.487 nan 8.270 nan 0.000 0.503 37 N N -0.235 118.462 118.700 -0.006 0.000 2.485 37 N HA 0.419 5.159 4.740 -0.001 0.000 0.280 37 N C -0.908 174.597 175.510 -0.008 0.000 1.205 37 N CA -0.497 52.548 53.050 -0.007 0.000 0.959 37 N CB 1.728 40.209 38.487 -0.008 0.000 1.206 37 N HN 0.118 nan 8.380 nan 0.000 0.545 38 V N 0.704 120.613 119.914 -0.009 0.000 2.680 38 V HA 0.403 4.523 4.120 -0.001 0.000 0.309 38 V C -0.145 175.941 176.094 -0.014 0.000 1.052 38 V CA -0.863 61.431 62.300 -0.010 0.000 0.908 38 V CB 2.145 33.963 31.823 -0.008 0.000 1.001 38 V HN 0.295 nan 8.190 nan 0.000 0.431 39 V N 5.414 125.317 119.914 -0.018 0.000 2.394 39 V HA 0.482 4.602 4.120 -0.001 0.000 0.282 39 V C -0.315 175.760 176.094 -0.032 0.000 1.031 39 V CA -0.413 61.871 62.300 -0.025 0.000 0.881 39 V CB 1.359 33.166 31.823 -0.028 0.000 0.982 39 V HN 0.621 nan 8.190 nan 0.000 0.451 40 L N 3.836 125.036 121.223 -0.038 0.000 2.318 40 L HA 0.480 4.819 4.340 -0.001 0.000 0.277 40 L C -0.054 176.763 176.870 -0.088 0.000 1.008 40 L CA -0.570 54.241 54.840 -0.048 0.000 0.846 40 L CB 1.466 43.508 42.059 -0.028 0.000 1.220 40 L HN 0.525 nan 8.230 nan 0.000 0.423 41 D N 3.416 123.750 120.400 -0.111 0.000 2.419 41 D HA 0.144 4.783 4.640 -0.001 0.000 0.236 41 D C -0.416 175.692 176.300 -0.320 0.000 1.165 41 D CA 0.631 54.524 54.000 -0.178 0.000 0.882 41 D CB 0.789 41.499 40.800 -0.150 0.000 1.201 41 D HN 0.364 nan 8.370 nan 0.000 0.443 42 K N 0.764 120.854 120.400 -0.516 0.000 2.690 42 K HA 0.120 4.440 4.320 -0.001 0.000 0.264 42 K C 0.829 176.751 176.600 -1.130 0.000 1.040 42 K CA -0.312 55.249 56.287 -1.211 0.000 0.946 42 K CB 1.075 33.067 32.500 -0.847 0.000 1.268 42 K HN 0.336 nan 8.250 nan 0.000 0.473 43 S N 2.994 118.050 115.700 -1.074 0.000 2.351 43 S HA -0.224 4.246 4.470 -0.001 0.000 0.220 43 S C 1.546 176.097 174.600 -0.083 0.000 1.035 43 S CA 1.425 59.444 58.200 -0.301 0.000 1.031 43 S CB -0.750 62.456 63.200 0.010 0.000 0.928 43 S HN 0.534 nan 8.310 nan 0.000 0.433 44 F N 2.628 122.575 119.950 -0.006 0.000 2.723 44 F HA -0.220 4.307 4.527 -0.001 0.000 0.281 44 F C 1.878 177.675 175.800 -0.005 0.000 1.277 44 F CA 0.668 58.665 58.000 -0.006 0.000 1.504 44 F CB -2.066 36.930 39.000 -0.006 0.000 0.770 44 F HN 0.560 nan 8.300 nan 0.000 0.552 45 G N -1.208 107.666 108.800 0.123 0.000 3.039 45 G HA2 0.664 4.624 3.960 -0.001 0.000 0.159 45 G HA3 0.664 4.624 3.960 -0.001 0.000 0.159 45 G C -0.567 174.314 174.900 -0.031 0.000 1.284 45 G CA -0.279 44.848 45.100 0.044 0.000 0.996 45 G HN 0.718 nan 8.290 nan 0.000 0.592 46 A N -0.143 122.662 122.820 -0.024 0.000 2.346 46 A HA 0.657 4.977 4.320 -0.001 0.000 0.252 46 A C -1.955 175.587 177.584 -0.071 0.000 1.089 46 A CA -0.596 51.415 52.037 -0.044 0.000 0.797 46 A CB -0.305 18.680 19.000 -0.025 0.000 1.047 46 A HN 0.418 nan 8.150 nan 0.000 0.494 47 P HA 0.315 nan 4.420 nan 0.000 0.275 47 P C -0.325 176.943 177.300 -0.054 0.000 1.270 47 P CA 0.051 63.099 63.100 -0.087 0.000 0.791 47 P CB 0.485 32.141 31.700 -0.074 0.000 1.089 48 T N 0.613 115.139 114.554 -0.047 0.000 2.848 48 T HA 0.555 4.905 4.350 -0.001 0.000 0.285 48 T C -0.372 174.315 174.700 -0.022 0.000 0.995 48 T CA -0.266 61.819 62.100 -0.025 0.000 0.970 48 T CB 0.198 69.055 68.868 -0.017 0.000 0.976 48 T HN 0.078 nan 8.240 nan 0.000 0.441 49 I N 2.656 123.216 120.570 -0.016 0.000 2.392 49 I HA 0.615 4.785 4.170 -0.001 0.000 0.295 49 I C 0.498 176.609 176.117 -0.010 0.000 0.985 49 I CA -0.080 61.212 61.300 -0.014 0.000 1.221 49 I CB 1.978 39.971 38.000 -0.013 0.000 1.366 49 I HN 0.471 nan 8.210 nan 0.000 0.467 50 T N 3.950 118.498 114.554 -0.010 0.000 2.885 50 T HA 0.316 4.665 4.350 -0.001 0.000 0.322 50 T C -0.022 174.673 174.700 -0.008 0.000 1.387 50 T CA -0.610 61.486 62.100 -0.008 0.000 1.041 50 T CB 1.445 70.309 68.868 -0.006 0.000 1.287 50 T HN 0.690 nan 8.240 nan 0.000 0.491 51 K N 1.328 121.723 120.400 -0.008 0.000 2.373 51 K HA 0.251 4.570 4.320 -0.001 0.000 0.200 51 K C -0.118 176.477 176.600 -0.007 0.000 1.054 51 K CA -0.085 56.197 56.287 -0.007 0.000 1.065 51 K CB 0.383 32.878 32.500 -0.008 0.000 0.886 51 K HN 0.479 nan 8.250 nan 0.000 0.546 52 D N -0.007 120.387 120.400 -0.009 0.000 2.374 52 D HA 0.118 4.758 4.640 -0.001 0.000 0.240 52 D C 1.199 177.496 176.300 -0.007 0.000 1.229 52 D CA 0.082 54.075 54.000 -0.012 0.000 0.895 52 D CB 1.007 41.796 40.800 -0.018 0.000 1.046 52 D HN 0.266 nan 8.370 nan 0.000 0.498 53 G N 2.692 111.490 108.800 -0.003 0.000 2.606 53 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.221 53 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.221 53 G C 1.513 176.414 174.900 0.002 0.000 1.152 53 G CA 0.944 46.045 45.100 0.002 0.000 0.765 53 G HN 0.515 nan 8.290 nan 0.000 0.595 54 V N 0.152 120.066 119.914 -0.001 0.000 2.913 54 V HA -0.053 4.066 4.120 -0.001 0.000 0.260 54 V C 2.751 178.845 176.094 0.001 0.000 1.098 54 V CA 2.549 64.848 62.300 -0.001 0.000 1.121 54 V CB -0.118 31.702 31.823 -0.005 0.000 0.714 54 V HN 0.335 nan 8.190 nan 0.000 0.487 55 S N -0.556 115.144 115.700 0.000 0.000 2.371 55 S HA -0.072 4.398 4.470 -0.001 0.000 0.221 55 S C 1.848 176.453 174.600 0.008 0.000 1.036 55 S CA 1.334 59.538 58.200 0.005 0.000 0.965 55 S CB 0.171 63.373 63.200 0.003 0.000 0.845 55 S HN 0.485 nan 8.310 nan 0.000 0.475 56 V N 2.463 122.380 119.914 0.004 0.000 2.324 56 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 56 V C 2.623 178.721 176.094 0.006 0.000 1.060 56 V CA 1.875 64.177 62.300 0.004 0.000 1.042 56 V CB -1.260 30.564 31.823 0.002 0.000 0.650 56 V HN 0.524 nan 8.190 nan 0.000 0.450 57 A N 0.151 122.974 122.820 0.006 0.000 1.845 57 A HA -0.228 4.092 4.320 -0.001 0.000 0.215 57 A C 2.309 179.898 177.584 0.008 0.000 1.195 57 A CA 1.798 53.839 52.037 0.006 0.000 0.616 57 A CB -0.610 18.392 19.000 0.004 0.000 0.832 57 A HN 0.487 nan 8.150 nan 0.000 0.443 58 R N -0.191 120.314 120.500 0.009 0.000 2.276 58 R HA -0.142 4.198 4.340 -0.001 0.000 0.243 58 R C 1.225 177.538 176.300 0.021 0.000 1.161 58 R CA 1.293 57.401 56.100 0.013 0.000 1.007 58 R CB -0.220 30.089 30.300 0.015 0.000 0.867 58 R HN 0.589 nan 8.270 nan 0.000 0.472 59 E N 0.116 120.329 120.200 0.021 0.000 2.415 59 E HA 0.055 4.404 4.350 -0.001 0.000 0.197 59 E C 0.529 177.140 176.600 0.018 0.000 1.007 59 E CA 0.105 56.521 56.400 0.026 0.000 0.890 59 E CB 0.339 30.051 29.700 0.021 0.000 0.891 59 E HN 0.134 nan 8.360 nan 0.000 0.496 60 I N 2.068 122.645 120.570 0.012 0.000 2.556 60 I HA 0.126 4.295 4.170 -0.001 0.000 0.284 60 I C 0.417 176.540 176.117 0.010 0.000 1.114 60 I CA 0.257 61.563 61.300 0.010 0.000 1.418 60 I CB 0.168 38.173 38.000 0.008 0.000 1.394 60 I HN -0.014 nan 8.210 nan 0.000 0.552 61 E N 5.718 125.923 120.200 0.009 0.000 2.343 61 E HA 0.444 4.793 4.350 -0.001 0.000 0.286 61 E C -1.997 174.605 176.600 0.004 0.000 0.915 61 E CA -0.625 55.779 56.400 0.006 0.000 0.784 61 E CB 1.787 31.492 29.700 0.007 0.000 1.251 61 E HN 0.244 nan 8.360 nan 0.000 0.407 62 L N 2.976 124.201 121.223 0.002 0.000 2.304 62 L HA 0.385 4.725 4.340 -0.001 0.000 0.268 62 L C 1.315 178.183 176.870 -0.004 0.000 1.010 62 L CA -0.053 54.789 54.840 0.003 0.000 0.813 62 L CB 1.320 43.385 42.059 0.011 0.000 1.315 62 L HN 0.848 nan 8.230 nan 0.000 0.445 63 E N -0.338 119.861 120.200 -0.002 0.000 2.140 63 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 63 E C -0.018 176.571 176.600 -0.018 0.000 0.973 63 E CA 0.097 56.491 56.400 -0.011 0.000 0.829 63 E CB 0.345 30.041 29.700 -0.006 0.000 0.781 63 E HN 0.654 nan 8.360 nan 0.000 0.466 64 D N 0.958 121.357 120.400 -0.002 0.000 2.371 64 D HA -0.042 4.598 4.640 -0.001 0.000 0.256 64 D C 0.625 176.913 176.300 -0.021 0.000 1.193 64 D CA 0.046 54.049 54.000 0.005 0.000 0.881 64 D CB 1.099 41.930 40.800 0.052 0.000 1.143 64 D HN -0.076 nan 8.370 nan 0.000 0.473 65 K N 3.357 123.682 120.400 -0.126 0.000 2.283 65 K HA -0.096 4.224 4.320 -0.001 0.000 0.202 65 K C 1.522 177.998 176.600 -0.206 0.000 1.048 65 K CA 0.701 56.853 56.287 -0.225 0.000 0.948 65 K CB -0.100 32.158 32.500 -0.403 0.000 0.742 65 K HN 0.486 nan 8.250 nan 0.000 0.458 66 F N 1.417 121.355 119.950 -0.020 0.000 2.219 66 F HA 0.015 4.541 4.527 -0.001 0.000 0.294 66 F C 2.195 177.985 175.800 -0.016 0.000 1.086 66 F CA 0.700 58.686 58.000 -0.024 0.000 1.330 66 F CB -0.292 38.691 39.000 -0.027 0.000 1.047 66 F HN 0.057 nan 8.300 nan 0.000 0.495 67 E N 0.002 120.313 120.200 0.186 0.000 2.077 67 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 67 E C 1.842 178.480 176.600 0.065 0.000 0.989 67 E CA 1.234 57.695 56.400 0.101 0.000 0.800 67 E CB -0.370 29.373 29.700 0.071 0.000 0.746 67 E HN 0.262 nan 8.360 nan 0.000 0.452 68 N N 0.921 119.646 118.700 0.041 0.000 2.060 68 N HA -0.217 4.522 4.740 -0.001 0.000 0.195 68 N C 1.740 177.263 175.510 0.023 0.000 1.028 68 N CA 1.593 54.653 53.050 0.016 0.000 0.861 68 N CB -0.092 38.388 38.487 -0.012 0.000 1.029 68 N HN 0.091 nan 8.380 nan 0.000 0.428 69 M N -0.735 118.887 119.600 0.038 0.000 2.108 69 M HA -0.090 4.390 4.480 -0.001 0.000 0.261 69 M C 2.144 178.471 176.300 0.044 0.000 1.066 69 M CA 1.789 57.115 55.300 0.043 0.000 1.107 69 M CB -0.636 32.011 32.600 0.079 0.000 1.356 69 M HN 0.352 nan 8.290 nan 0.000 0.406 70 G N -0.232 108.601 108.800 0.054 0.000 2.459 70 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 70 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 70 G C 1.555 176.472 174.900 0.028 0.000 1.183 70 G CA 1.113 46.237 45.100 0.040 0.000 0.776 70 G HN 0.567 nan 8.290 nan 0.000 0.552 71 A N -0.464 122.371 122.820 0.025 0.000 1.969 71 A HA -0.008 4.312 4.320 -0.001 0.000 0.218 71 A C 2.319 179.911 177.584 0.014 0.000 1.169 71 A CA 1.716 53.764 52.037 0.018 0.000 0.635 71 A CB -0.277 18.733 19.000 0.016 0.000 0.810 71 A HN 0.323 nan 8.150 nan 0.000 0.445 72 Q N -1.201 118.607 119.800 0.014 0.000 2.437 72 Q HA 0.038 4.377 4.340 -0.001 0.000 0.210 72 Q C 1.750 177.754 176.000 0.007 0.000 0.972 72 Q CA 0.966 56.774 55.803 0.008 0.000 0.903 72 Q CB -0.108 28.633 28.738 0.005 0.000 0.967 72 Q HN 0.780 nan 8.270 nan 0.000 0.486 73 M N -1.002 118.605 119.600 0.012 0.000 2.657 73 M HA -0.058 4.421 4.480 -0.001 0.000 0.262 73 M C 1.916 178.223 176.300 0.012 0.000 1.213 73 M CA 0.408 55.715 55.300 0.012 0.000 1.182 73 M CB 0.518 33.129 32.600 0.018 0.000 1.303 73 M HN -0.019 nan 8.290 nan 0.000 0.501 74 V N -0.853 119.070 119.914 0.015 0.000 2.667 74 V HA -0.169 3.950 4.120 -0.001 0.000 0.252 74 V C 1.985 178.085 176.094 0.010 0.000 1.065 74 V CA 1.492 63.802 62.300 0.016 0.000 1.083 74 V CB -1.350 30.484 31.823 0.019 0.000 0.692 74 V HN 0.483 nan 8.190 nan 0.000 0.468 75 K N 1.086 121.490 120.400 0.006 0.000 2.442 75 K HA -0.245 4.074 4.320 -0.001 0.000 0.199 75 K C 2.020 178.614 176.600 -0.010 0.000 1.044 75 K CA 1.797 58.084 56.287 0.001 0.000 0.941 75 K CB -0.080 32.421 32.500 0.001 0.000 0.759 75 K HN 0.698 nan 8.250 nan 0.000 0.472 76 E N 0.508 120.701 120.200 -0.012 0.000 2.385 76 E HA -0.093 4.257 4.350 -0.001 0.000 0.194 76 E C 1.830 178.397 176.600 -0.054 0.000 1.013 76 E CA 0.511 56.892 56.400 -0.033 0.000 0.866 76 E CB 0.267 29.949 29.700 -0.029 0.000 0.832 76 E HN 0.290 nan 8.360 nan 0.000 0.500 77 V N -0.353 119.551 119.914 -0.016 0.000 2.323 77 V HA -0.047 4.072 4.120 -0.001 0.000 0.244 77 V C 2.260 178.348 176.094 -0.011 0.000 1.041 77 V CA 1.735 64.039 62.300 0.007 0.000 1.025 77 V CB -0.532 31.330 31.823 0.065 0.000 0.656 77 V HN 0.253 nan 8.190 nan 0.000 0.451 78 A N 0.026 122.847 122.820 0.001 0.000 1.908 78 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 78 A C 2.596 180.167 177.584 -0.022 0.000 1.181 78 A CA 2.616 54.655 52.037 0.003 0.000 0.627 78 A CB -1.215 17.788 19.000 0.006 0.000 0.818 78 A HN 0.708 nan 8.150 nan 0.000 0.445 79 S N -0.985 114.690 115.700 -0.042 0.000 2.348 79 S HA -0.169 4.301 4.470 -0.001 0.000 0.221 79 S C 2.251 176.789 174.600 -0.104 0.000 1.033 79 S CA 1.667 59.832 58.200 -0.057 0.000 1.010 79 S CB -0.291 62.875 63.200 -0.056 0.000 0.891 79 S HN 0.414 nan 8.310 nan 0.000 0.442 80 K N 1.514 121.794 120.400 -0.200 0.000 2.032 80 K HA 0.015 4.335 4.320 -0.001 0.000 0.209 80 K C 2.304 178.667 176.600 -0.395 0.000 1.048 80 K CA 1.462 57.501 56.287 -0.415 0.000 0.927 80 K CB -1.289 30.742 32.500 -0.782 0.000 0.712 80 K HN 0.387 nan 8.250 nan 0.000 0.441 81 A N 2.122 124.818 122.820 -0.206 0.000 1.909 81 A HA -0.300 4.019 4.320 -0.001 0.000 0.221 81 A C 2.111 179.741 177.584 0.076 0.000 1.223 81 A CA 2.399 54.507 52.037 0.119 0.000 0.658 81 A CB -1.040 18.047 19.000 0.144 0.000 0.831 81 A HN 0.584 nan 8.150 nan 0.000 0.462 82 N N -0.464 118.248 118.700 0.019 0.000 2.205 82 N HA -0.181 4.559 4.740 -0.001 0.000 0.186 82 N C 0.784 176.322 175.510 0.047 0.000 1.015 82 N CA 1.702 54.769 53.050 0.029 0.000 0.862 82 N CB -0.270 38.219 38.487 0.003 0.000 0.986 82 N HN 0.517 nan 8.380 nan 0.000 0.429 83 D N -0.087 120.319 120.400 0.011 0.000 2.249 83 D HA 0.009 4.649 4.640 -0.001 0.000 0.205 83 D C 1.482 177.816 176.300 0.057 0.000 0.962 83 D CA 0.593 54.606 54.000 0.022 0.000 0.860 83 D CB 0.132 40.916 40.800 -0.028 0.000 0.955 83 D HN 0.382 nan 8.370 nan 0.000 0.505 84 A N 0.955 123.824 122.820 0.082 0.000 1.944 84 A HA 0.433 4.753 4.320 -0.001 0.000 0.209 84 A C 2.132 179.794 177.584 0.131 0.000 1.328 84 A CA 1.004 53.117 52.037 0.127 0.000 0.693 84 A CB -0.575 18.570 19.000 0.241 0.000 0.994 84 A HN 0.158 nan 8.150 nan 0.000 0.485 85 A N -1.477 121.436 122.820 0.155 0.000 1.819 85 A HA 0.361 4.680 4.320 -0.001 0.000 0.215 85 A C 2.044 179.727 177.584 0.165 0.000 1.226 85 A CA 2.407 54.525 52.037 0.135 0.000 0.608 85 A CB -1.077 18.000 19.000 0.129 0.000 0.877 85 A HN 1.935 nan 8.150 nan 0.000 0.452 86 G N -2.433 106.462 108.800 0.159 0.000 2.260 86 G HA2 0.027 3.987 3.960 -0.001 0.000 0.179 86 G HA3 0.027 3.987 3.960 -0.001 0.000 0.179 86 G C -0.234 174.683 174.900 0.029 0.000 1.002 86 G CA 0.604 45.807 45.100 0.171 0.000 0.677 86 G HN 0.845 nan 8.290 nan 0.000 0.486 87 D N -2.266 118.164 120.400 0.050 0.000 2.713 87 D HA 0.549 5.189 4.640 -0.001 0.000 0.306 87 D C 1.088 177.415 176.300 0.044 0.000 1.299 87 D CA 1.117 55.133 54.000 0.026 0.000 0.823 87 D CB 0.624 41.441 40.800 0.029 0.000 1.353 87 D HN 1.347 nan 8.370 nan 0.000 0.447 88 G N -0.371 108.450 108.800 0.035 0.000 2.179 88 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.260 88 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.260 88 G C 1.023 175.951 174.900 0.047 0.000 0.977 88 G CA 1.795 46.921 45.100 0.042 0.000 0.641 88 G HN 0.797 nan 8.290 nan 0.000 0.533 89 T N -1.664 112.913 114.554 0.038 0.000 2.720 89 T HA -0.145 4.204 4.350 -0.001 0.000 0.268 89 T C 2.241 176.958 174.700 0.028 0.000 1.037 89 T CA 2.536 64.657 62.100 0.034 0.000 1.144 89 T CB -0.781 68.097 68.868 0.017 0.000 0.864 89 T HN 0.423 nan 8.240 nan 0.000 0.444 90 T N 1.616 116.183 114.554 0.021 0.000 2.821 90 T HA -0.066 4.284 4.350 -0.001 0.000 0.267 90 T C 2.262 176.976 174.700 0.024 0.000 1.046 90 T CA 1.587 63.698 62.100 0.019 0.000 1.139 90 T CB -0.822 68.054 68.868 0.013 0.000 0.871 90 T HN 0.469 nan 8.240 nan 0.000 0.454 91 T N 2.097 116.668 114.554 0.027 0.000 2.643 91 T HA -0.038 4.311 4.350 -0.001 0.000 0.264 91 T C 2.454 177.175 174.700 0.034 0.000 1.045 91 T CA 1.278 63.395 62.100 0.028 0.000 1.155 91 T CB -0.693 68.192 68.868 0.028 0.000 0.863 91 T HN 0.423 nan 8.240 nan 0.000 0.420 92 A N 1.104 123.953 122.820 0.048 0.000 1.903 92 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 92 A C 2.538 180.153 177.584 0.052 0.000 1.191 92 A CA 2.542 54.617 52.037 0.064 0.000 0.638 92 A CB -1.432 17.626 19.000 0.097 0.000 0.823 92 A HN 0.501 nan 8.150 nan 0.000 0.451 93 T N -0.370 114.208 114.554 0.040 0.000 2.746 93 T HA -0.105 4.244 4.350 -0.001 0.000 0.267 93 T C 1.864 176.580 174.700 0.027 0.000 1.039 93 T CA 1.624 63.742 62.100 0.031 0.000 1.142 93 T CB -0.452 68.430 68.868 0.023 0.000 0.866 93 T HN 0.225 nan 8.240 nan 0.000 0.444 94 V N 1.357 121.285 119.914 0.024 0.000 2.594 94 V HA -0.091 4.029 4.120 -0.001 0.000 0.253 94 V C 2.343 178.449 176.094 0.020 0.000 1.069 94 V CA 1.330 63.642 62.300 0.020 0.000 1.082 94 V CB -0.750 31.084 31.823 0.018 0.000 0.680 94 V HN 0.419 nan 8.190 nan 0.000 0.469 95 L N -0.054 121.184 121.223 0.025 0.000 2.179 95 L HA 0.016 4.356 4.340 -0.001 0.000 0.208 95 L C 2.686 179.571 176.870 0.026 0.000 1.096 95 L CA 1.180 56.034 54.840 0.024 0.000 0.779 95 L CB -0.622 41.453 42.059 0.026 0.000 0.922 95 L HN 0.319 nan 8.230 nan 0.000 0.443 96 A N 0.340 123.179 122.820 0.031 0.000 1.873 96 A HA -0.261 4.059 4.320 -0.001 0.000 0.215 96 A C 2.199 179.797 177.584 0.024 0.000 1.186 96 A CA 1.648 53.704 52.037 0.032 0.000 0.616 96 A CB -0.576 18.447 19.000 0.037 0.000 0.823 96 A HN 0.510 nan 8.150 nan 0.000 0.442 97 Q N -0.246 119.567 119.800 0.021 0.000 2.439 97 Q HA 0.091 4.431 4.340 -0.001 0.000 0.211 97 Q C 1.563 177.572 176.000 0.015 0.000 0.978 97 Q CA 1.817 57.631 55.803 0.017 0.000 0.897 97 Q CB -0.323 28.424 28.738 0.016 0.000 0.956 97 Q HN 0.509 nan 8.270 nan 0.000 0.483 98 A N 0.470 123.299 122.820 0.015 0.000 1.909 98 A HA 0.140 4.460 4.320 -0.001 0.000 0.209 98 A C 2.003 179.594 177.584 0.012 0.000 1.247 98 A CA 0.604 52.648 52.037 0.013 0.000 0.660 98 A CB -0.367 18.640 19.000 0.013 0.000 0.910 98 A HN 0.386 nan 8.150 nan 0.000 0.465 99 I N 0.077 120.656 120.570 0.014 0.000 2.208 99 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 99 I C 2.283 178.407 176.117 0.013 0.000 1.097 99 I CA 1.412 62.721 61.300 0.014 0.000 1.363 99 I CB -0.323 37.687 38.000 0.017 0.000 1.051 99 I HN 0.301 nan 8.210 nan 0.000 0.413 100 I N 0.197 120.775 120.570 0.014 0.000 2.202 100 I HA -0.246 3.924 4.170 -0.001 0.000 0.242 100 I C 2.546 178.670 176.117 0.010 0.000 1.091 100 I CA 1.530 62.838 61.300 0.013 0.000 1.368 100 I CB -0.423 37.586 38.000 0.015 0.000 1.058 100 I HN 0.227 nan 8.210 nan 0.000 0.410 101 T N -0.110 114.450 114.554 0.010 0.000 2.708 101 T HA -0.173 4.177 4.350 -0.001 0.000 0.266 101 T C 1.830 176.533 174.700 0.006 0.000 1.037 101 T CA 1.197 63.301 62.100 0.007 0.000 1.146 101 T CB -0.178 68.694 68.868 0.007 0.000 0.865 101 T HN 0.210 nan 8.240 nan 0.000 0.435 102 E N 0.732 120.936 120.200 0.007 0.000 2.107 102 E HA 0.033 4.383 4.350 -0.001 0.000 0.191 102 E C 2.494 179.097 176.600 0.006 0.000 0.982 102 E CA 0.955 57.358 56.400 0.006 0.000 0.809 102 E CB -0.914 28.790 29.700 0.006 0.000 0.756 102 E HN 0.535 nan 8.360 nan 0.000 0.459 103 G N 1.336 110.141 108.800 0.007 0.000 2.511 103 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.216 103 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.216 103 G C 1.684 176.588 174.900 0.006 0.000 1.218 103 G CA 0.922 46.027 45.100 0.008 0.000 0.788 103 G HN 0.251 nan 8.290 nan 0.000 0.560 104 L N 0.303 121.530 121.223 0.006 0.000 2.187 104 L HA -0.065 4.275 4.340 -0.001 0.000 0.213 104 L C 2.776 179.648 176.870 0.003 0.000 1.100 104 L CA 1.343 56.185 54.840 0.004 0.000 0.765 104 L CB -0.349 41.712 42.059 0.003 0.000 0.904 104 L HN 0.221 nan 8.230 nan 0.000 0.437 105 K N 0.510 120.911 120.400 0.003 0.000 2.097 105 K HA -0.166 4.153 4.320 -0.001 0.000 0.206 105 K C 2.168 178.769 176.600 0.002 0.000 1.049 105 K CA 1.226 57.514 56.287 0.002 0.000 0.933 105 K CB -0.015 32.486 32.500 0.002 0.000 0.717 105 K HN 0.305 nan 8.250 nan 0.000 0.442 106 A N 0.482 123.304 122.820 0.003 0.000 1.897 106 A HA -0.074 4.246 4.320 -0.001 0.000 0.215 106 A C 2.174 179.760 177.584 0.003 0.000 1.181 106 A CA 1.187 53.226 52.037 0.003 0.000 0.620 106 A CB -0.473 18.529 19.000 0.004 0.000 0.821 106 A HN 0.141 nan 8.150 nan 0.000 0.443 107 V N -0.018 119.898 119.914 0.004 0.000 2.332 107 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 107 V C 2.908 179.004 176.094 0.003 0.000 1.055 107 V CA 1.905 64.207 62.300 0.004 0.000 1.038 107 V CB -1.052 30.774 31.823 0.006 0.000 0.651 107 V HN 0.592 nan 8.190 nan 0.000 0.450 108 A N -0.510 122.311 122.820 0.002 0.000 2.209 108 A HA 0.215 4.535 4.320 -0.001 0.000 0.212 108 A C 2.071 179.656 177.584 0.000 0.000 1.158 108 A CA 1.231 53.269 52.037 0.001 0.000 0.742 108 A CB -0.380 18.620 19.000 -0.000 0.000 0.790 108 A HN 0.561 nan 8.150 nan 0.000 0.472 109 A N -1.915 120.905 122.820 0.001 0.000 2.275 109 A HA 0.451 4.771 4.320 -0.001 0.000 0.212 109 A C 1.644 179.229 177.584 0.000 0.000 1.201 109 A CA 1.035 53.072 52.037 0.000 0.000 0.843 109 A CB -0.618 18.383 19.000 0.001 0.000 0.873 109 A HN 1.687 nan 8.150 nan 0.000 0.492 110 G N -1.753 107.047 108.800 0.001 0.000 2.176 110 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.232 110 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.232 110 G C 0.235 175.135 174.900 0.001 0.000 0.986 110 G CA 0.292 45.392 45.100 0.000 0.000 0.643 110 G HN 0.360 nan 8.290 nan 0.000 0.522 111 M N 0.925 120.527 119.600 0.002 0.000 2.245 111 M HA 0.326 4.805 4.480 -0.001 0.000 0.312 111 M C 0.742 177.044 176.300 0.004 0.000 1.070 111 M CA 0.107 55.409 55.300 0.003 0.000 1.162 111 M CB 0.283 32.885 32.600 0.003 0.000 1.448 111 M HN 0.321 nan 8.290 nan 0.000 0.446 112 N N 2.518 121.221 118.700 0.004 0.000 2.420 112 N HA 0.302 5.042 4.740 -0.001 0.000 0.249 112 N C -2.368 173.146 175.510 0.007 0.000 1.033 112 N CA -1.938 51.115 53.050 0.005 0.000 0.944 112 N CB 1.015 39.505 38.487 0.005 0.000 1.113 112 N HN 0.193 nan 8.380 nan 0.000 0.502 113 P HA -0.126 nan 4.420 nan 0.000 0.216 113 P C 1.370 178.676 177.300 0.011 0.000 1.153 113 P CA 0.847 63.954 63.100 0.010 0.000 0.848 113 P CB 0.119 31.826 31.700 0.012 0.000 0.787 114 M N -0.478 119.128 119.600 0.011 0.000 2.435 114 M HA -0.139 4.341 4.480 -0.001 0.000 0.262 114 M C 0.923 177.229 176.300 0.010 0.000 1.065 114 M CA 1.490 56.797 55.300 0.011 0.000 1.076 114 M CB -1.409 31.198 32.600 0.012 0.000 1.403 114 M HN -0.143 nan 8.290 nan 0.000 0.454 115 D N -1.335 119.070 120.400 0.008 0.000 2.323 115 D HA 0.090 4.730 4.640 -0.001 0.000 0.218 115 D C 2.045 178.349 176.300 0.007 0.000 0.973 115 D CA 0.531 54.535 54.000 0.007 0.000 0.890 115 D CB 0.058 40.862 40.800 0.006 0.000 1.011 115 D HN 0.307 nan 8.370 nan 0.000 0.499 116 L N 1.011 122.238 121.223 0.008 0.000 2.079 116 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 116 L C 2.466 179.342 176.870 0.009 0.000 1.081 116 L CA 1.126 55.970 54.840 0.008 0.000 0.752 116 L CB -0.246 41.818 42.059 0.008 0.000 0.896 116 L HN -0.005 nan 8.230 nan 0.000 0.433 117 K N 0.493 120.899 120.400 0.010 0.000 1.969 117 K HA -0.213 4.106 4.320 -0.001 0.000 0.216 117 K C 2.237 178.843 176.600 0.010 0.000 1.048 117 K CA 1.593 57.887 56.287 0.012 0.000 0.948 117 K CB -0.099 32.409 32.500 0.013 0.000 0.726 117 K HN 0.133 nan 8.250 nan 0.000 0.442 118 R N -0.323 120.182 120.500 0.009 0.000 2.154 118 R HA -0.153 4.187 4.340 -0.001 0.000 0.248 118 R C 2.367 178.671 176.300 0.006 0.000 1.155 118 R CA 1.353 57.457 56.100 0.008 0.000 0.979 118 R CB -0.548 29.756 30.300 0.007 0.000 0.869 118 R HN 0.481 nan 8.270 nan 0.000 0.452 119 G N 1.314 110.118 108.800 0.006 0.000 2.404 119 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.214 119 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.214 119 G C 1.469 176.372 174.900 0.005 0.000 1.189 119 G CA 0.294 45.397 45.100 0.005 0.000 0.789 119 G HN 0.120 nan 8.290 nan 0.000 0.533 120 I N 1.502 122.076 120.570 0.006 0.000 2.113 120 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 120 I C 2.364 178.484 176.117 0.005 0.000 1.057 120 I CA 1.788 63.092 61.300 0.007 0.000 1.314 120 I CB -0.100 37.906 38.000 0.010 0.000 1.022 120 I HN 0.133 nan 8.210 nan 0.000 0.408 121 D N 0.259 120.663 120.400 0.006 0.000 2.117 121 D HA -0.213 4.427 4.640 -0.001 0.000 0.198 121 D C 2.057 178.357 176.300 0.001 0.000 0.982 121 D CA 1.181 55.183 54.000 0.004 0.000 0.828 121 D CB -0.292 40.512 40.800 0.007 0.000 0.967 121 D HN 0.375 nan 8.370 nan 0.000 0.464 122 K N 1.034 121.435 120.400 0.002 0.000 2.057 122 K HA -0.078 4.242 4.320 -0.001 0.000 0.207 122 K C 2.076 178.675 176.600 -0.001 0.000 1.049 122 K CA 1.183 57.470 56.287 0.001 0.000 0.931 122 K CB -0.012 32.489 32.500 0.002 0.000 0.714 122 K HN 0.000 nan 8.250 nan 0.000 0.440 123 A N 0.658 123.478 122.820 0.000 0.000 1.908 123 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 123 A C 2.238 179.820 177.584 -0.003 0.000 1.181 123 A CA 1.688 53.725 52.037 -0.000 0.000 0.627 123 A CB -0.705 18.296 19.000 0.001 0.000 0.818 123 A HN 0.186 nan 8.150 nan 0.000 0.445 124 V N -0.114 119.797 119.914 -0.005 0.000 2.407 124 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 124 V C 2.676 178.761 176.094 -0.015 0.000 1.055 124 V CA 2.406 64.700 62.300 -0.011 0.000 1.049 124 V CB -1.047 30.768 31.823 -0.013 0.000 0.662 124 V HN 0.637 nan 8.190 nan 0.000 0.455 125 T N 0.045 114.592 114.554 -0.011 0.000 2.962 125 T HA -0.073 4.276 4.350 -0.001 0.000 0.270 125 T C 1.889 176.582 174.700 -0.011 0.000 1.088 125 T CA 1.310 63.402 62.100 -0.013 0.000 1.127 125 T CB -0.210 68.653 68.868 -0.008 0.000 0.883 125 T HN 0.569 nan 8.240 nan 0.000 0.493 126 A N 1.161 123.976 122.820 -0.008 0.000 1.903 126 A HA 0.494 4.814 4.320 -0.001 0.000 0.213 126 A C 2.612 180.193 177.584 -0.007 0.000 1.185 126 A CA 1.104 53.138 52.037 -0.006 0.000 0.628 126 A CB -0.908 18.091 19.000 -0.003 0.000 0.830 126 A HN 0.453 nan 8.150 nan 0.000 0.446 127 A N -0.295 122.520 122.820 -0.008 0.000 1.933 127 A HA 0.003 4.322 4.320 -0.001 0.000 0.218 127 A C 2.170 179.747 177.584 -0.012 0.000 1.175 127 A CA 1.805 53.837 52.037 -0.008 0.000 0.628 127 A CB -0.832 18.164 19.000 -0.008 0.000 0.814 127 A HN 0.356 nan 8.150 nan 0.000 0.444 128 V N -0.125 119.778 119.914 -0.019 0.000 2.358 128 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 128 V C 2.560 178.644 176.094 -0.016 0.000 1.047 128 V CA 2.099 64.385 62.300 -0.024 0.000 1.035 128 V CB -0.732 31.070 31.823 -0.035 0.000 0.658 128 V HN 0.473 nan 8.190 nan 0.000 0.452 129 E N 0.126 120.318 120.200 -0.013 0.000 2.130 129 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 129 E C 2.286 178.883 176.600 -0.005 0.000 0.998 129 E CA 1.252 57.648 56.400 -0.008 0.000 0.806 129 E CB -0.207 29.490 29.700 -0.006 0.000 0.738 129 E HN 0.520 nan 8.360 nan 0.000 0.459 130 E N -0.327 119.870 120.200 -0.004 0.000 2.112 130 E HA -0.020 4.330 4.350 -0.001 0.000 0.190 130 E C 2.327 178.927 176.600 0.000 0.000 0.979 130 E CA 0.218 56.617 56.400 -0.001 0.000 0.814 130 E CB -0.159 29.541 29.700 0.001 0.000 0.762 130 E HN 0.300 nan 8.360 nan 0.000 0.460 131 L N 0.705 121.926 121.223 -0.003 0.000 2.083 131 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 131 L C 2.254 179.123 176.870 -0.002 0.000 1.083 131 L CA 1.000 55.839 54.840 -0.002 0.000 0.752 131 L CB -0.239 41.815 42.059 -0.007 0.000 0.899 131 L HN -0.023 nan 8.230 nan 0.000 0.433 132 K N 0.097 120.495 120.400 -0.004 0.000 2.209 132 K HA -0.099 4.221 4.320 -0.001 0.000 0.204 132 K C 2.037 178.637 176.600 0.000 0.000 1.048 132 K CA 1.272 57.557 56.287 -0.003 0.000 0.940 132 K CB -0.424 32.073 32.500 -0.005 0.000 0.729 132 K HN 0.295 nan 8.250 nan 0.000 0.451 133 A N -0.246 122.575 122.820 0.001 0.000 1.898 133 A HA -0.043 4.277 4.320 -0.001 0.000 0.214 133 A C 1.940 179.527 177.584 0.006 0.000 1.183 133 A CA 0.945 52.984 52.037 0.003 0.000 0.622 133 A CB -0.389 18.613 19.000 0.003 0.000 0.824 133 A HN 0.171 nan 8.150 nan 0.000 0.444 134 L N 0.236 121.464 121.223 0.007 0.000 2.217 134 L HA 0.025 4.365 4.340 -0.001 0.000 0.211 134 L C 1.688 178.564 176.870 0.010 0.000 1.107 134 L CA 1.162 56.008 54.840 0.010 0.000 0.783 134 L CB -0.386 41.680 42.059 0.012 0.000 0.919 134 L HN 0.373 nan 8.230 nan 0.000 0.442 135 S N -0.206 115.499 115.700 0.007 0.000 2.549 135 S HA 0.327 4.796 4.470 -0.001 0.000 0.286 135 S C -0.241 174.364 174.600 0.007 0.000 1.314 135 S CA -0.486 57.718 58.200 0.007 0.000 1.062 135 S CB 0.395 63.598 63.200 0.005 0.000 0.865 135 S HN 0.123 nan 8.310 nan 0.000 0.498 136 V N 2.576 122.495 119.914 0.008 0.000 2.680 136 V HA 0.725 4.845 4.120 -0.001 0.000 0.309 136 V C -2.733 173.365 176.094 0.007 0.000 1.052 136 V CA -2.644 59.661 62.300 0.008 0.000 0.908 136 V CB 0.846 32.675 31.823 0.009 0.000 1.001 136 V HN 0.710 nan 8.190 nan 0.000 0.431 137 P HA 0.239 nan 4.420 nan 0.000 0.271 137 P C -0.596 176.707 177.300 0.006 0.000 1.233 137 P CA -0.091 63.013 63.100 0.005 0.000 0.795 137 P CB 0.328 32.031 31.700 0.004 0.000 0.936 138 C N 1.022 120.325 119.300 0.006 0.000 2.679 138 C HA 0.585 5.044 4.460 -0.001 0.000 0.354 138 C C 0.881 175.874 174.990 0.006 0.000 1.067 138 C CA 0.581 59.603 59.018 0.007 0.000 1.317 138 C CB -0.496 27.249 27.740 0.008 0.000 1.843 138 C HN 0.687 nan 8.230 nan 0.000 0.459 139 S N 2.246 117.949 115.700 0.005 0.000 2.769 139 S HA 0.202 4.672 4.470 -0.001 0.000 0.258 139 S C 0.018 174.620 174.600 0.004 0.000 1.080 139 S CA 0.408 58.610 58.200 0.004 0.000 0.943 139 S CB -0.367 62.835 63.200 0.003 0.000 0.893 139 S HN 0.909 nan 8.310 nan 0.000 0.490 140 D N 2.478 122.881 120.400 0.004 0.000 2.414 140 D HA 0.235 4.875 4.640 -0.001 0.000 0.242 140 D C 0.757 177.059 176.300 0.004 0.000 1.129 140 D CA 0.150 54.152 54.000 0.004 0.000 0.885 140 D CB 1.133 41.936 40.800 0.004 0.000 1.198 140 D HN 0.107 nan 8.370 nan 0.000 0.437 141 S N 1.806 117.508 115.700 0.004 0.000 2.409 141 S HA -0.304 4.166 4.470 -0.001 0.000 0.237 141 S C 1.591 176.194 174.600 0.004 0.000 1.060 141 S CA 2.012 60.215 58.200 0.004 0.000 1.052 141 S CB -0.295 62.907 63.200 0.004 0.000 0.871 141 S HN 0.751 nan 8.310 nan 0.000 0.465 142 K N 1.129 121.532 120.400 0.004 0.000 2.025 142 K HA -0.009 4.310 4.320 -0.001 0.000 0.207 142 K C 2.210 178.813 176.600 0.004 0.000 1.049 142 K CA 1.219 57.508 56.287 0.004 0.000 0.933 142 K CB -0.404 32.098 32.500 0.003 0.000 0.714 142 K HN 0.276 nan 8.250 nan 0.000 0.438 143 A N 1.270 124.093 122.820 0.005 0.000 1.902 143 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 143 A C 2.140 179.729 177.584 0.007 0.000 1.181 143 A CA 1.459 53.500 52.037 0.006 0.000 0.623 143 A CB -0.616 18.389 19.000 0.007 0.000 0.818 143 A HN 0.381 nan 8.150 nan 0.000 0.443 144 I N -0.189 120.385 120.570 0.007 0.000 2.208 144 I HA -0.330 3.840 4.170 -0.001 0.000 0.245 144 I C 2.935 179.058 176.117 0.009 0.000 1.097 144 I CA 1.179 62.485 61.300 0.009 0.000 1.363 144 I CB -0.236 37.770 38.000 0.009 0.000 1.051 144 I HN 0.375 nan 8.210 nan 0.000 0.413 145 A N -0.314 122.511 122.820 0.007 0.000 1.972 145 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 145 A C 2.191 179.778 177.584 0.005 0.000 1.169 145 A CA 1.529 53.570 52.037 0.006 0.000 0.635 145 A CB -0.487 18.515 19.000 0.004 0.000 0.810 145 A HN 0.465 nan 8.150 nan 0.000 0.446 146 Q N -0.513 119.290 119.800 0.004 0.000 1.990 146 Q HA -0.122 4.218 4.340 -0.001 0.000 0.200 146 Q C 2.343 178.346 176.000 0.005 0.000 0.980 146 Q CA 2.230 58.035 55.803 0.003 0.000 0.832 146 Q CB -0.531 28.209 28.738 0.002 0.000 0.897 146 Q HN 0.723 nan 8.270 nan 0.000 0.427 147 V N -1.162 118.757 119.914 0.008 0.000 2.282 147 V HA -0.218 3.901 4.120 -0.001 0.000 0.249 147 V C 1.978 178.080 176.094 0.013 0.000 1.057 147 V CA 2.325 64.632 62.300 0.011 0.000 1.032 147 V CB -1.802 30.030 31.823 0.016 0.000 0.645 147 V HN 0.445 nan 8.190 nan 0.000 0.447 148 G N 0.099 108.908 108.800 0.015 0.000 2.599 148 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.219 148 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.219 148 G C 1.593 176.498 174.900 0.009 0.000 1.193 148 G CA 2.313 47.422 45.100 0.015 0.000 0.778 148 G HN 0.547 nan 8.290 nan 0.000 0.589 149 T N 1.153 115.710 114.554 0.005 0.000 2.635 149 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 149 T C 2.400 177.099 174.700 -0.002 0.000 1.040 149 T CA 1.496 63.596 62.100 -0.000 0.000 1.156 149 T CB -0.216 68.650 68.868 -0.003 0.000 0.863 149 T HN 0.162 nan 8.240 nan 0.000 0.430 150 I N 0.756 121.325 120.570 -0.002 0.000 2.394 150 I HA -0.100 4.070 4.170 -0.001 0.000 0.251 150 I C 2.631 178.747 176.117 -0.002 0.000 1.136 150 I CA 0.862 62.159 61.300 -0.004 0.000 1.425 150 I CB -0.473 37.525 38.000 -0.003 0.000 1.079 150 I HN 0.164 nan 8.210 nan 0.000 0.425 151 S N 0.411 116.113 115.700 0.003 0.000 2.355 151 S HA -0.031 4.439 4.470 -0.001 0.000 0.222 151 S C 1.793 176.392 174.600 -0.002 0.000 1.031 151 S CA 0.991 59.193 58.200 0.004 0.000 0.993 151 S CB -0.294 62.912 63.200 0.011 0.000 0.859 151 S HN 0.390 nan 8.310 nan 0.000 0.453 152 A N 1.590 124.409 122.820 -0.002 0.000 2.916 152 A HA 0.318 4.637 4.320 -0.001 0.000 0.254 152 A C 0.475 178.055 177.584 -0.006 0.000 1.544 152 A CA -0.147 51.887 52.037 -0.005 0.000 1.224 152 A CB -1.622 17.377 19.000 -0.002 0.000 1.012 152 A HN 0.764 nan 8.150 nan 0.000 0.636 153 N N 0.604 119.300 118.700 -0.007 0.000 2.678 153 N HA -0.217 4.523 4.740 -0.001 0.000 0.268 153 N C -0.047 175.456 175.510 -0.011 0.000 1.010 153 N CA 0.512 53.556 53.050 -0.009 0.000 0.784 153 N CB -0.628 37.853 38.487 -0.009 0.000 0.905 153 N HN 0.540 nan 8.380 nan 0.000 0.552 154 S N -0.118 115.575 115.700 -0.012 0.000 3.682 154 S HA -0.205 4.264 4.470 -0.001 0.000 0.354 154 S C -0.596 173.997 174.600 -0.012 0.000 1.034 154 S CA 1.019 59.211 58.200 -0.015 0.000 1.084 154 S CB -0.620 62.568 63.200 -0.020 0.000 0.903 154 S HN 0.703 nan 8.310 nan 0.000 0.470 155 D N 0.740 121.134 120.400 -0.009 0.000 2.464 155 D HA 0.276 4.916 4.640 -0.001 0.000 0.243 155 D C 1.076 177.373 176.300 -0.005 0.000 1.104 155 D CA -0.516 53.480 54.000 -0.007 0.000 0.883 155 D CB 0.647 41.444 40.800 -0.005 0.000 1.050 155 D HN 0.364 nan 8.370 nan 0.000 0.524 156 E N 1.114 121.311 120.200 -0.006 0.000 2.118 156 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 156 E C 1.242 177.841 176.600 -0.002 0.000 0.992 156 E CA 1.340 57.737 56.400 -0.004 0.000 0.804 156 E CB 0.342 30.038 29.700 -0.006 0.000 0.741 156 E HN 0.515 nan 8.360 nan 0.000 0.458 157 T N 0.729 115.282 114.554 -0.002 0.000 2.821 157 T HA -0.110 4.240 4.350 -0.001 0.000 0.267 157 T C 2.176 176.877 174.700 0.002 0.000 1.046 157 T CA 1.128 63.228 62.100 0.000 0.000 1.139 157 T CB -0.242 68.626 68.868 -0.000 0.000 0.871 157 T HN -0.001 nan 8.240 nan 0.000 0.454 158 V N 1.682 121.598 119.914 0.002 0.000 2.343 158 V HA -0.066 4.054 4.120 -0.001 0.000 0.247 158 V C 2.889 178.987 176.094 0.007 0.000 1.051 158 V CA 1.810 64.113 62.300 0.005 0.000 1.036 158 V CB -1.574 30.252 31.823 0.004 0.000 0.654 158 V HN 0.577 nan 8.190 nan 0.000 0.451 159 G N 0.453 109.256 108.800 0.005 0.000 2.511 159 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.216 159 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.216 159 G C 1.537 176.441 174.900 0.006 0.000 1.218 159 G CA 1.349 46.453 45.100 0.006 0.000 0.788 159 G HN 0.483 nan 8.290 nan 0.000 0.560 160 K N -0.130 120.272 120.400 0.004 0.000 2.077 160 K HA -0.157 4.163 4.320 -0.001 0.000 0.213 160 K C 2.311 178.914 176.600 0.005 0.000 1.051 160 K CA 1.411 57.700 56.287 0.004 0.000 0.929 160 K CB -0.727 31.774 32.500 0.002 0.000 0.715 160 K HN 0.241 nan 8.250 nan 0.000 0.451 161 L N 0.488 121.715 121.223 0.006 0.000 2.056 161 L HA 0.032 4.372 4.340 -0.001 0.000 0.207 161 L C 2.181 179.057 176.870 0.010 0.000 1.078 161 L CA 1.543 56.387 54.840 0.007 0.000 0.749 161 L CB -0.579 41.485 42.059 0.008 0.000 0.901 161 L HN 0.319 nan 8.230 nan 0.000 0.433 162 I N -0.844 119.733 120.570 0.012 0.000 2.202 162 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 162 I C 2.558 178.682 176.117 0.012 0.000 1.091 162 I CA 1.180 62.490 61.300 0.015 0.000 1.368 162 I CB -0.494 37.519 38.000 0.020 0.000 1.058 162 I HN 0.268 nan 8.210 nan 0.000 0.410 163 A N 0.206 123.033 122.820 0.010 0.000 1.873 163 A HA -0.296 4.023 4.320 -0.001 0.000 0.218 163 A C 2.251 179.839 177.584 0.007 0.000 1.193 163 A CA 2.063 54.105 52.037 0.008 0.000 0.629 163 A CB -0.787 18.217 19.000 0.007 0.000 0.826 163 A HN 0.449 nan 8.150 nan 0.000 0.447 164 E N -0.555 119.649 120.200 0.006 0.000 2.097 164 E HA -0.185 4.165 4.350 -0.001 0.000 0.196 164 E C 2.350 178.953 176.600 0.006 0.000 1.000 164 E CA 0.961 57.364 56.400 0.005 0.000 0.804 164 E CB -0.303 29.400 29.700 0.005 0.000 0.740 164 E HN 0.632 nan 8.360 nan 0.000 0.454 165 A N 1.458 124.283 122.820 0.008 0.000 1.834 165 A HA -0.241 4.079 4.320 -0.001 0.000 0.216 165 A C 2.196 179.784 177.584 0.007 0.000 1.203 165 A CA 2.010 54.052 52.037 0.008 0.000 0.621 165 A CB -0.700 18.307 19.000 0.011 0.000 0.841 165 A HN 0.182 nan 8.150 nan 0.000 0.446 166 M N -0.764 118.840 119.600 0.007 0.000 2.346 166 M HA -0.161 4.318 4.480 -0.001 0.000 0.263 166 M C 1.664 177.966 176.300 0.003 0.000 1.064 166 M CA 1.890 57.193 55.300 0.005 0.000 1.083 166 M CB -0.788 31.815 32.600 0.005 0.000 1.399 166 M HN 0.560 nan 8.290 nan 0.000 0.435 167 D N 0.858 121.261 120.400 0.004 0.000 2.144 167 D HA -0.113 4.527 4.640 -0.001 0.000 0.200 167 D C 1.904 178.206 176.300 0.002 0.000 0.978 167 D CA 1.285 55.286 54.000 0.003 0.000 0.833 167 D CB 0.243 41.044 40.800 0.003 0.000 0.961 167 D HN 0.254 nan 8.370 nan 0.000 0.470 168 K N -0.684 119.718 120.400 0.003 0.000 2.242 168 K HA 0.030 4.350 4.320 -0.001 0.000 0.200 168 K C 1.994 178.595 176.600 0.003 0.000 1.050 168 K CA 0.725 57.014 56.287 0.003 0.000 0.981 168 K CB 0.538 33.041 32.500 0.003 0.000 0.795 168 K HN 0.144 nan 8.250 nan 0.000 0.477 169 V N -2.396 117.520 119.914 0.003 0.000 2.649 169 V HA 0.272 4.392 4.120 -0.001 0.000 0.248 169 V C 0.976 177.070 176.094 0.000 0.000 1.054 169 V CA 0.636 62.937 62.300 0.002 0.000 1.073 169 V CB -0.766 31.058 31.823 0.002 0.000 0.699 169 V HN 0.359 nan 8.190 nan 0.000 0.463 170 G N 0.319 109.119 108.800 -0.000 0.000 2.582 170 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.222 170 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.222 170 G C 0.125 175.023 174.900 -0.003 0.000 1.311 170 G CA 0.187 45.286 45.100 -0.002 0.000 0.915 170 G HN 0.318 nan 8.290 nan 0.000 0.528 171 K N -0.109 120.288 120.400 -0.004 0.000 2.137 171 K HA 0.088 4.408 4.320 -0.001 0.000 0.202 171 K C 1.937 178.531 176.600 -0.010 0.000 1.052 171 K CA 1.215 57.498 56.287 -0.006 0.000 0.961 171 K CB -0.025 32.472 32.500 -0.006 0.000 0.741 171 K HN 0.369 nan 8.250 nan 0.000 0.452 172 E N 0.564 120.759 120.200 -0.009 0.000 2.516 172 E HA 0.003 4.353 4.350 -0.001 0.000 0.199 172 E C 0.541 177.133 176.600 -0.012 0.000 1.069 172 E CA 0.243 56.636 56.400 -0.012 0.000 0.876 172 E CB 0.148 29.841 29.700 -0.012 0.000 0.843 172 E HN 0.253 nan 8.360 nan 0.000 0.530 173 G N 0.124 108.918 108.800 -0.010 0.000 2.417 173 G HA2 0.453 4.412 3.960 -0.001 0.000 0.334 173 G HA3 0.453 4.412 3.960 -0.001 0.000 0.334 173 G C -0.392 174.503 174.900 -0.009 0.000 1.150 173 G CA -0.476 44.619 45.100 -0.007 0.000 0.923 173 G HN -0.064 nan 8.290 nan 0.000 0.485 174 V N 0.934 120.844 119.914 -0.006 0.000 2.612 174 V HA 0.564 4.684 4.120 -0.001 0.000 0.301 174 V C -0.169 175.926 176.094 0.002 0.000 1.046 174 V CA -0.550 61.746 62.300 -0.006 0.000 0.946 174 V CB 1.490 33.309 31.823 -0.006 0.000 1.003 174 V HN 0.580 nan 8.190 nan 0.000 0.459 175 I N 3.091 123.664 120.570 0.005 0.000 2.478 175 I HA 0.477 4.646 4.170 -0.001 0.000 0.287 175 I C 0.012 176.142 176.117 0.021 0.000 1.042 175 I CA -0.180 61.128 61.300 0.013 0.000 1.067 175 I CB 2.368 40.377 38.000 0.015 0.000 1.233 175 I HN 0.767 nan 8.210 nan 0.000 0.431 176 T N 2.780 117.348 114.554 0.024 0.000 2.918 176 T HA 0.703 5.052 4.350 -0.001 0.000 0.286 176 T C -0.543 174.176 174.700 0.033 0.000 1.026 176 T CA -0.894 61.226 62.100 0.033 0.000 1.031 176 T CB 2.402 71.288 68.868 0.030 0.000 1.046 176 T HN 0.317 nan 8.240 nan 0.000 0.479 177 V N 1.770 121.707 119.914 0.039 0.000 2.555 177 V HA 0.822 4.941 4.120 -0.001 0.000 0.302 177 V C -1.339 174.772 176.094 0.027 0.000 1.038 177 V CA -0.481 61.838 62.300 0.032 0.000 0.887 177 V CB 1.114 32.958 31.823 0.035 0.000 0.991 177 V HN 1.197 nan 8.190 nan 0.000 0.434 178 E N 3.262 123.474 120.200 0.020 0.000 2.437 178 E HA 0.479 4.828 4.350 -0.001 0.000 0.280 178 E C -1.869 174.739 176.600 0.013 0.000 1.044 178 E CA -1.012 55.398 56.400 0.017 0.000 0.826 178 E CB 0.645 30.356 29.700 0.018 0.000 1.358 178 E HN 0.494 nan 8.360 nan 0.000 0.459 179 D N 0.698 121.105 120.400 0.011 0.000 2.458 179 D HA 0.297 4.936 4.640 -0.001 0.000 0.243 179 D C 0.262 176.566 176.300 0.007 0.000 1.146 179 D CA 0.543 54.548 54.000 0.009 0.000 0.877 179 D CB 0.900 41.705 40.800 0.008 0.000 1.176 179 D HN 0.557 nan 8.370 nan 0.000 0.461 180 G N 0.162 108.966 108.800 0.006 0.000 2.522 180 G HA2 0.375 4.335 3.960 -0.001 0.000 0.304 180 G HA3 0.375 4.335 3.960 -0.001 0.000 0.304 180 G C 1.022 175.924 174.900 0.003 0.000 1.210 180 G CA -0.164 44.939 45.100 0.004 0.000 0.960 180 G HN 0.434 nan 8.290 nan 0.000 0.497 181 T N -2.032 112.523 114.554 0.002 0.000 3.004 181 T HA 0.264 4.614 4.350 -0.001 0.000 0.243 181 T C 1.597 176.298 174.700 0.001 0.000 1.020 181 T CA 0.878 62.979 62.100 0.002 0.000 1.145 181 T CB -0.489 68.379 68.868 0.001 0.000 0.876 181 T HN 0.750 nan 8.240 nan 0.000 0.449 182 G N 0.966 109.767 108.800 0.001 0.000 2.525 182 G HA2 0.437 4.397 3.960 -0.001 0.000 0.276 182 G HA3 0.437 4.397 3.960 -0.001 0.000 0.276 182 G C 0.622 175.522 174.900 0.001 0.000 1.388 182 G CA -0.518 44.582 45.100 0.001 0.000 1.050 182 G HN 0.340 nan 8.290 nan 0.000 0.520 183 L N -0.677 120.546 121.223 0.000 0.000 2.446 183 L HA 0.119 4.459 4.340 -0.001 0.000 0.219 183 L C 0.503 177.373 176.870 0.000 0.000 1.116 183 L CA 0.645 55.486 54.840 0.000 0.000 0.844 183 L CB -0.286 41.773 42.059 -0.000 0.000 0.970 183 L HN 0.503 nan 8.230 nan 0.000 0.457 184 Q N -0.520 119.280 119.800 0.001 0.000 2.306 184 Q HA 0.319 4.658 4.340 -0.001 0.000 0.265 184 Q C -0.687 175.314 176.000 0.002 0.000 1.022 184 Q CA -0.707 55.096 55.803 0.001 0.000 0.853 184 Q CB 0.790 29.529 28.738 0.000 0.000 1.327 184 Q HN 0.000 nan 8.270 nan 0.000 0.449 185 D N 1.363 121.764 120.400 0.002 0.000 2.399 185 D HA 0.091 4.731 4.640 -0.001 0.000 0.241 185 D C -0.452 175.850 176.300 0.003 0.000 1.133 185 D CA 0.254 54.256 54.000 0.003 0.000 0.890 185 D CB 1.033 41.835 40.800 0.004 0.000 1.201 185 D HN 0.612 nan 8.370 nan 0.000 0.432 186 E N 1.161 121.364 120.200 0.004 0.000 2.304 186 E HA 0.321 4.671 4.350 -0.001 0.000 0.277 186 E C -1.952 174.651 176.600 0.005 0.000 0.898 186 E CA -0.806 55.596 56.400 0.004 0.000 0.764 186 E CB 1.906 31.608 29.700 0.003 0.000 1.216 186 E HN 0.193 nan 8.360 nan 0.000 0.419 187 L N 4.141 125.366 121.223 0.005 0.000 2.305 187 L HA 0.507 4.847 4.340 -0.001 0.000 0.284 187 L C -1.339 175.534 176.870 0.004 0.000 1.013 187 L CA -0.201 54.643 54.840 0.006 0.000 0.819 187 L CB 1.393 43.455 42.059 0.006 0.000 1.227 187 L HN 0.436 nan 8.230 nan 0.000 0.417 188 D N 4.446 124.849 120.400 0.005 0.000 2.308 188 D HA 0.450 5.090 4.640 -0.001 0.000 0.242 188 D C -0.959 175.343 176.300 0.004 0.000 1.059 188 D CA -0.060 53.942 54.000 0.003 0.000 0.830 188 D CB 2.542 43.343 40.800 0.002 0.000 1.161 188 D HN 0.280 nan 8.370 nan 0.000 0.494 189 V N 2.425 122.341 119.914 0.004 0.000 2.495 189 V HA 0.330 4.450 4.120 -0.001 0.000 0.298 189 V C 0.014 176.110 176.094 0.004 0.000 1.031 189 V CA -0.808 61.495 62.300 0.005 0.000 0.871 189 V CB 2.179 34.005 31.823 0.004 0.000 0.988 189 V HN 0.266 nan 8.190 nan 0.000 0.432 190 V N 3.900 123.817 119.914 0.006 0.000 2.370 190 V HA 0.455 4.575 4.120 -0.001 0.000 0.283 190 V C 0.036 176.135 176.094 0.009 0.000 1.023 190 V CA -0.801 61.502 62.300 0.006 0.000 0.857 190 V CB 1.467 33.294 31.823 0.007 0.000 0.985 190 V HN 0.778 nan 8.190 nan 0.000 0.443 191 E N 2.918 123.123 120.200 0.008 0.000 2.283 191 E HA 0.524 4.874 4.350 -0.001 0.000 0.278 191 E C 0.884 177.493 176.600 0.014 0.000 1.027 191 E CA 0.948 57.353 56.400 0.009 0.000 0.843 191 E CB 1.609 31.312 29.700 0.005 0.000 1.062 191 E HN 0.991 nan 8.360 nan 0.000 0.401 192 G N 2.920 111.729 108.800 0.015 0.000 2.527 192 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.268 192 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.268 192 G C -0.069 174.849 174.900 0.031 0.000 1.175 192 G CA 0.422 45.534 45.100 0.020 0.000 0.962 192 G HN 0.566 nan 8.290 nan 0.000 0.560 193 M N 0.744 120.373 119.600 0.048 0.000 2.294 193 M HA 0.759 5.239 4.480 -0.001 0.000 0.335 193 M C -0.525 175.857 176.300 0.136 0.000 1.079 193 M CA -0.502 54.846 55.300 0.080 0.000 0.982 193 M CB 1.726 34.369 32.600 0.071 0.000 1.651 193 M HN 0.919 nan 8.290 nan 0.000 0.437 194 Q N 4.163 124.066 119.800 0.171 0.000 2.391 194 Q HA 0.641 4.981 4.340 -0.001 0.000 0.279 194 Q C -2.175 173.998 176.000 0.288 0.000 1.028 194 Q CA -0.751 55.164 55.803 0.186 0.000 0.836 194 Q CB 2.273 31.037 28.738 0.044 0.000 1.414 194 Q HN 0.797 nan 8.270 nan 0.000 0.397 195 F N -0.954 118.989 119.950 -0.013 0.000 2.685 195 F HA 0.498 5.025 4.527 -0.001 0.000 0.315 195 F C -0.971 174.821 175.800 -0.014 0.000 1.126 195 F CA -1.357 56.637 58.000 -0.010 0.000 0.950 195 F CB 0.749 39.745 39.000 -0.006 0.000 1.360 195 F HN 0.403 nan 8.300 nan 0.000 0.469 196 D N 1.462 121.924 120.400 0.102 0.000 2.934 196 D HA 0.261 4.901 4.640 -0.001 0.000 0.237 196 D C -0.512 175.768 176.300 -0.033 0.000 1.158 196 D CA 0.045 54.043 54.000 -0.002 0.000 0.971 196 D CB -0.143 40.685 40.800 0.048 0.000 1.123 196 D HN 0.219 nan 8.370 nan 0.000 0.467 197 R N 0.443 120.836 120.500 -0.178 0.000 2.604 197 R HA 0.693 5.032 4.340 -0.001 0.000 0.281 197 R C 0.125 176.271 176.300 -0.258 0.000 1.020 197 R CA -0.814 55.202 56.100 -0.140 0.000 0.899 197 R CB 1.887 32.197 30.300 0.016 0.000 1.205 197 R HN 0.243 nan 8.270 nan 0.000 0.450 198 G N 0.753 109.418 108.800 -0.225 0.000 2.667 198 G HA2 0.500 4.460 3.960 -0.001 0.000 0.310 198 G HA3 0.500 4.460 3.960 -0.001 0.000 0.310 198 G C -0.709 174.061 174.900 -0.217 0.000 1.259 198 G CA -0.652 44.241 45.100 -0.345 0.000 1.019 198 G HN 0.427 nan 8.290 nan 0.000 0.496 199 Y N -1.229 119.081 120.300 0.017 0.000 2.757 199 Y HA 0.248 4.798 4.550 -0.001 0.000 0.344 199 Y C 1.038 177.044 175.900 0.176 0.000 1.263 199 Y CA -0.707 57.460 58.100 0.111 0.000 1.493 199 Y CB 0.269 38.880 38.460 0.250 0.000 1.342 199 Y HN 0.179 nan 8.280 nan 0.000 0.627 200 L N 1.703 123.260 121.223 0.557 0.000 2.607 200 L HA 0.209 4.549 4.340 -0.001 0.000 0.228 200 L C 0.216 177.304 176.870 0.362 0.000 1.123 200 L CA 0.539 55.618 54.840 0.398 0.000 0.890 200 L CB -0.165 42.082 42.059 0.313 0.000 1.103 200 L HN 0.799 nan 8.230 nan 0.000 0.468 201 S N -2.247 113.690 115.700 0.394 0.000 2.626 201 S HA 0.353 4.822 4.470 -0.001 0.000 0.275 201 S C -2.560 171.894 174.600 -0.243 0.000 1.175 201 S CA -0.953 57.265 58.200 0.031 0.000 0.982 201 S CB 1.744 64.862 63.200 -0.136 0.000 1.093 201 S HN -0.238 nan 8.310 nan 0.000 0.472 202 P HA -0.030 nan 4.420 nan 0.000 0.231 202 P C 0.094 176.967 177.300 -0.711 0.000 1.154 202 P CA 0.877 63.509 63.100 -0.781 0.000 0.762 202 P CB -0.358 31.024 31.700 -0.529 0.000 0.790 203 Y N -2.805 117.239 120.300 -0.426 0.000 2.347 203 Y HA 0.030 4.579 4.550 -0.001 0.000 0.294 203 Y C 1.998 177.739 175.900 -0.265 0.000 1.117 203 Y CA 0.488 58.384 58.100 -0.340 0.000 1.184 203 Y CB -1.096 37.148 38.460 -0.360 0.000 1.047 203 Y HN -0.142 nan 8.280 nan 0.000 0.546 204 F N 0.670 120.609 119.950 -0.018 0.000 2.141 204 F HA -0.256 4.271 4.527 -0.001 0.000 0.300 204 F C 1.012 176.787 175.800 -0.043 0.000 1.079 204 F CA 0.459 58.449 58.000 -0.017 0.000 1.264 204 F CB -1.393 37.603 39.000 -0.006 0.000 1.011 204 F HN -0.129 nan 8.300 nan 0.000 0.487 205 I N 2.426 123.021 120.570 0.042 0.000 2.978 205 I HA -0.228 3.941 4.170 -0.001 0.000 0.293 205 I C 1.074 177.212 176.117 0.035 0.000 1.218 205 I CA 0.575 61.877 61.300 0.003 0.000 1.393 205 I CB -0.148 37.787 38.000 -0.107 0.000 1.394 205 I HN 0.245 nan 8.210 nan 0.000 0.541 206 N N 5.327 124.060 118.700 0.055 0.000 2.280 206 N HA 0.015 4.755 4.740 -0.001 0.000 0.192 206 N C 0.022 175.550 175.510 0.030 0.000 1.109 206 N CA 0.126 53.203 53.050 0.045 0.000 0.855 206 N CB 0.387 38.905 38.487 0.051 0.000 0.974 206 N HN 0.484 nan 8.380 nan 0.000 0.482 207 K N 0.646 121.063 120.400 0.028 0.000 2.701 207 K HA 0.248 4.568 4.320 -0.001 0.000 0.212 207 K C -2.168 174.443 176.600 0.017 0.000 1.035 207 K CA -1.799 54.501 56.287 0.022 0.000 1.048 207 K CB 2.100 34.614 32.500 0.024 0.000 1.234 207 K HN -0.031 nan 8.250 nan 0.000 0.540 208 P HA -0.163 nan 4.420 nan 0.000 0.228 208 P C 0.078 177.382 177.300 0.007 0.000 1.151 208 P CA 1.077 64.177 63.100 0.000 0.000 0.770 208 P CB 0.471 32.167 31.700 -0.007 0.000 0.786 209 E N -0.268 119.938 120.200 0.010 0.000 2.107 209 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 209 E C 1.869 178.478 176.600 0.015 0.000 0.982 209 E CA 1.509 57.915 56.400 0.010 0.000 0.809 209 E CB -1.332 28.373 29.700 0.009 0.000 0.756 209 E HN 0.224 nan 8.360 nan 0.000 0.459 210 T N -0.915 113.652 114.554 0.021 0.000 3.043 210 T HA 0.149 4.499 4.350 -0.001 0.000 0.263 210 T C 1.466 176.191 174.700 0.042 0.000 1.094 210 T CA 0.677 62.793 62.100 0.027 0.000 1.127 210 T CB -0.045 68.840 68.868 0.028 0.000 0.905 210 T HN 0.419 nan 8.240 nan 0.000 0.490 211 G N 1.458 110.287 108.800 0.048 0.000 2.160 211 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.251 211 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.251 211 G C 0.074 175.068 174.900 0.157 0.000 1.008 211 G CA 0.082 45.227 45.100 0.076 0.000 0.724 211 G HN 0.959 nan 8.290 nan 0.000 0.514 212 A N -1.304 121.591 122.820 0.124 0.000 2.469 212 A HA 0.909 5.229 4.320 -0.001 0.000 0.299 212 A C -0.267 177.389 177.584 0.121 0.000 1.098 212 A CA -0.181 51.955 52.037 0.164 0.000 0.737 212 A CB 2.046 21.100 19.000 0.091 0.000 1.312 212 A HN 1.264 nan 8.150 nan 0.000 0.414 213 V N 0.919 120.919 119.914 0.143 0.000 2.427 213 V HA 0.537 4.657 4.120 -0.001 0.000 0.286 213 V C 0.062 176.189 176.094 0.055 0.000 1.034 213 V CA -0.407 61.953 62.300 0.101 0.000 0.893 213 V CB 1.295 33.195 31.823 0.127 0.000 0.982 213 V HN 0.907 nan 8.190 nan 0.000 0.452 214 E N 4.286 124.510 120.200 0.041 0.000 2.218 214 E HA 0.659 5.009 4.350 -0.001 0.000 0.263 214 E C -1.764 174.846 176.600 0.017 0.000 0.879 214 E CA -0.564 55.849 56.400 0.022 0.000 0.762 214 E CB 1.595 31.306 29.700 0.019 0.000 1.166 214 E HN 0.645 nan 8.360 nan 0.000 0.415 215 L N 3.234 124.461 121.223 0.006 0.000 2.381 215 L HA 0.539 4.878 4.340 -0.001 0.000 0.268 215 L C -0.601 176.261 176.870 -0.014 0.000 0.997 215 L CA -0.846 53.994 54.840 -0.000 0.000 0.818 215 L CB 2.163 44.221 42.059 -0.002 0.000 1.310 215 L HN 0.487 nan 8.230 nan 0.000 0.416 216 E N 1.100 121.287 120.200 -0.022 0.000 2.199 216 E HA 0.382 4.731 4.350 -0.001 0.000 0.265 216 E C -0.523 176.038 176.600 -0.065 0.000 0.882 216 E CA -0.653 55.726 56.400 -0.035 0.000 0.759 216 E CB 1.794 31.479 29.700 -0.024 0.000 1.148 216 E HN 0.610 nan 8.360 nan 0.000 0.412 217 S N 1.192 116.841 115.700 -0.085 0.000 3.682 217 S HA -0.126 4.344 4.470 -0.001 0.000 0.354 217 S C -2.265 172.191 174.600 -0.240 0.000 1.034 217 S CA 0.411 58.524 58.200 -0.144 0.000 1.084 217 S CB -1.560 61.558 63.200 -0.136 0.000 0.903 217 S HN 0.473 nan 8.310 nan 0.000 0.470 218 P HA 0.619 nan 4.420 nan 0.000 0.282 218 P C 0.071 177.222 177.300 -0.248 0.000 1.259 218 P CA -0.726 62.263 63.100 -0.186 0.000 0.826 218 P CB 0.470 32.139 31.700 -0.053 0.000 1.064 219 F N 0.396 120.350 119.950 0.007 0.000 2.378 219 F HA 0.406 4.933 4.527 -0.001 0.000 0.319 219 F C 0.889 176.693 175.800 0.005 0.000 1.155 219 F CA 0.032 58.035 58.000 0.006 0.000 1.157 219 F CB 0.285 39.288 39.000 0.006 0.000 1.252 219 F HN 0.045 nan 8.300 nan 0.000 0.550 220 I N 2.732 123.442 120.570 0.233 0.000 2.478 220 I HA 0.264 4.434 4.170 -0.001 0.000 0.287 220 I C -1.326 174.847 176.117 0.094 0.000 1.042 220 I CA -0.689 60.685 61.300 0.124 0.000 1.067 220 I CB 1.846 39.896 38.000 0.083 0.000 1.233 220 I HN 0.281 nan 8.210 nan 0.000 0.431 221 L N 7.875 129.138 121.223 0.067 0.000 2.275 221 L HA 0.533 4.873 4.340 -0.001 0.000 0.288 221 L C -1.047 175.840 176.870 0.029 0.000 1.046 221 L CA 0.032 54.895 54.840 0.038 0.000 0.805 221 L CB 0.846 42.922 42.059 0.028 0.000 1.193 221 L HN 0.490 nan 8.230 nan 0.000 0.426 222 L N 6.713 127.947 121.223 0.018 0.000 2.371 222 L HA 0.562 4.901 4.340 -0.001 0.000 0.262 222 L C 0.040 176.913 176.870 0.005 0.000 1.054 222 L CA -0.496 54.348 54.840 0.007 0.000 0.924 222 L CB 0.925 42.982 42.059 -0.003 0.000 1.295 222 L HN 0.807 nan 8.230 nan 0.000 0.441 223 A N 1.330 124.156 122.820 0.011 0.000 2.294 223 A HA 0.253 4.573 4.320 -0.001 0.000 0.316 223 A C -0.174 177.417 177.584 0.012 0.000 1.359 223 A CA -0.420 51.624 52.037 0.012 0.000 0.956 223 A CB 0.164 19.176 19.000 0.019 0.000 1.155 223 A HN 0.626 nan 8.150 nan 0.000 0.544 224 D N 2.919 123.323 120.400 0.006 0.000 2.517 224 D HA 0.418 5.058 4.640 -0.001 0.000 0.220 224 D C -0.054 176.254 176.300 0.012 0.000 1.158 224 D CA 0.376 54.379 54.000 0.006 0.000 0.992 224 D CB -0.493 40.306 40.800 -0.003 0.000 1.058 224 D HN 0.665 nan 8.370 nan 0.000 0.516 225 K N 0.061 120.473 120.400 0.020 0.000 3.245 225 K HA 0.127 4.446 4.320 -0.001 0.000 0.350 225 K C -1.240 175.378 176.600 0.030 0.000 1.129 225 K CA -1.141 55.160 56.287 0.023 0.000 0.883 225 K CB 0.269 32.780 32.500 0.018 0.000 1.411 225 K HN -0.123 nan 8.250 nan 0.000 0.412 226 K N 0.925 121.344 120.400 0.031 0.000 2.258 226 K HA 0.339 4.658 4.320 -0.001 0.000 0.264 226 K C -0.330 176.291 176.600 0.034 0.000 1.007 226 K CA -0.251 56.058 56.287 0.036 0.000 0.941 226 K CB 0.449 32.970 32.500 0.035 0.000 0.966 226 K HN 0.403 nan 8.250 nan 0.000 0.480 227 I N 2.177 122.771 120.570 0.040 0.000 2.437 227 I HA 0.041 4.210 4.170 -0.001 0.000 0.279 227 I C 0.292 176.433 176.117 0.040 0.000 1.028 227 I CA -0.040 61.283 61.300 0.039 0.000 1.142 227 I CB 1.641 39.668 38.000 0.045 0.000 1.266 227 I HN 0.631 nan 8.210 nan 0.000 0.461 228 S N 3.124 118.844 115.700 0.032 0.000 2.566 228 S HA 0.177 4.647 4.470 -0.001 0.000 0.234 228 S C 0.781 175.397 174.600 0.026 0.000 1.075 228 S CA 0.063 58.281 58.200 0.030 0.000 0.926 228 S CB 0.208 63.423 63.200 0.025 0.000 0.811 228 S HN 0.553 nan 8.310 nan 0.000 0.518 229 N N 2.523 121.237 118.700 0.023 0.000 2.437 229 N HA 0.266 5.005 4.740 -0.001 0.000 0.243 229 N C 0.626 176.148 175.510 0.020 0.000 1.041 229 N CA -0.060 53.001 53.050 0.019 0.000 0.940 229 N CB 1.043 39.539 38.487 0.014 0.000 1.133 229 N HN 0.202 nan 8.380 nan 0.000 0.506 230 I N 3.344 123.926 120.570 0.020 0.000 2.315 230 I HA -0.342 3.828 4.170 -0.001 0.000 0.251 230 I C 1.728 177.854 176.117 0.015 0.000 1.125 230 I CA 1.421 62.734 61.300 0.021 0.000 1.392 230 I CB 0.227 38.239 38.000 0.020 0.000 1.065 230 I HN 0.465 nan 8.210 nan 0.000 0.424 231 R N 0.883 121.390 120.500 0.012 0.000 2.140 231 R HA -0.250 4.090 4.340 -0.001 0.000 0.250 231 R C 1.831 178.135 176.300 0.007 0.000 1.150 231 R CA 2.076 58.181 56.100 0.008 0.000 0.966 231 R CB -0.795 29.509 30.300 0.006 0.000 0.869 231 R HN 0.556 nan 8.270 nan 0.000 0.445 232 E N 0.102 120.308 120.200 0.009 0.000 2.338 232 E HA -0.105 4.244 4.350 -0.001 0.000 0.197 232 E C 1.817 178.421 176.600 0.007 0.000 1.007 232 E CA 0.718 57.123 56.400 0.008 0.000 0.849 232 E CB 0.027 29.733 29.700 0.010 0.000 0.774 232 E HN 0.302 nan 8.360 nan 0.000 0.506 233 M N 0.036 119.643 119.600 0.011 0.000 2.325 233 M HA 0.028 4.508 4.480 -0.001 0.000 0.265 233 M C 2.258 178.560 176.300 0.004 0.000 1.094 233 M CA 0.786 56.093 55.300 0.011 0.000 1.161 233 M CB -0.778 31.835 32.600 0.021 0.000 1.358 233 M HN 0.122 nan 8.290 nan 0.000 0.446 234 L N 0.813 122.039 121.223 0.005 0.000 2.026 234 L HA -0.289 4.051 4.340 -0.001 0.000 0.231 234 L C -0.319 176.548 176.870 -0.005 0.000 1.095 234 L CA 2.180 57.021 54.840 0.002 0.000 0.810 234 L CB -2.722 39.338 42.059 0.002 0.000 0.909 234 L HN 0.168 nan 8.230 nan 0.000 0.444 235 P HA -0.175 nan 4.420 nan 0.000 0.216 235 P C 1.858 179.142 177.300 -0.027 0.000 1.157 235 P CA 1.809 64.899 63.100 -0.017 0.000 0.880 235 P CB -0.081 31.610 31.700 -0.017 0.000 0.791 236 V N 0.330 120.226 119.914 -0.029 0.000 2.283 236 V HA -0.180 3.940 4.120 -0.001 0.000 0.243 236 V C 2.833 178.902 176.094 -0.042 0.000 1.039 236 V CA 1.380 63.653 62.300 -0.047 0.000 1.016 236 V CB -1.387 30.411 31.823 -0.041 0.000 0.650 236 V HN -0.012 nan 8.190 nan 0.000 0.449 237 L N 0.012 121.226 121.223 -0.016 0.000 2.270 237 L HA -0.245 4.095 4.340 -0.001 0.000 0.217 237 L C 2.500 179.369 176.870 -0.003 0.000 1.107 237 L CA 1.614 56.453 54.840 -0.001 0.000 0.772 237 L CB -0.509 41.559 42.059 0.014 0.000 0.902 237 L HN 0.519 nan 8.230 nan 0.000 0.439 238 E N -0.543 119.649 120.200 -0.013 0.000 2.166 238 E HA -0.027 4.323 4.350 -0.001 0.000 0.192 238 E C 2.292 178.879 176.600 -0.021 0.000 0.967 238 E CA 0.745 57.138 56.400 -0.011 0.000 0.840 238 E CB -0.027 29.667 29.700 -0.010 0.000 0.795 238 E HN 0.449 nan 8.360 nan 0.000 0.470 239 A N 1.384 124.178 122.820 -0.044 0.000 2.015 239 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 239 A C 2.413 179.949 177.584 -0.080 0.000 1.163 239 A CA 0.909 52.905 52.037 -0.068 0.000 0.646 239 A CB -0.443 18.497 19.000 -0.101 0.000 0.806 239 A HN 0.097 nan 8.150 nan 0.000 0.448 240 V N -0.578 119.292 119.914 -0.072 0.000 2.667 240 V HA -0.106 4.013 4.120 -0.001 0.000 0.252 240 V C 2.679 178.801 176.094 0.047 0.000 1.065 240 V CA 1.460 63.747 62.300 -0.022 0.000 1.083 240 V CB -0.983 30.845 31.823 0.008 0.000 0.692 240 V HN 0.550 nan 8.190 nan 0.000 0.468 241 A N -0.845 121.990 122.820 0.026 0.000 2.235 241 A HA -0.002 4.318 4.320 -0.001 0.000 0.208 241 A C 2.179 179.782 177.584 0.031 0.000 1.172 241 A CA 0.859 52.916 52.037 0.033 0.000 0.786 241 A CB -0.228 18.785 19.000 0.023 0.000 0.804 241 A HN 0.505 nan 8.150 nan 0.000 0.479 242 K N -1.206 119.211 120.400 0.028 0.000 2.350 242 K HA 0.245 4.565 4.320 -0.001 0.000 0.196 242 K C 1.877 178.508 176.600 0.051 0.000 1.084 242 K CA 0.703 57.007 56.287 0.028 0.000 0.967 242 K CB 0.212 32.718 32.500 0.011 0.000 0.950 242 K HN 0.346 nan 8.250 nan 0.000 0.512 243 A N 0.593 123.462 122.820 0.082 0.000 2.169 243 A HA 0.144 4.464 4.320 -0.001 0.000 0.212 243 A C 1.421 179.091 177.584 0.144 0.000 1.153 243 A CA 1.007 53.135 52.037 0.151 0.000 0.756 243 A CB -0.415 18.763 19.000 0.296 0.000 0.813 243 A HN 0.390 nan 8.150 nan 0.000 0.471 244 G N -0.725 108.143 108.800 0.113 0.000 2.166 244 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.260 244 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.260 244 G C 0.222 175.172 174.900 0.084 0.000 0.986 244 G CA 1.017 46.167 45.100 0.083 0.000 0.683 244 G HN 0.606 nan 8.290 nan 0.000 0.527 245 K N 0.903 121.385 120.400 0.136 0.000 2.156 245 K HA 0.538 4.858 4.320 -0.001 0.000 0.254 245 K C -1.890 174.781 176.600 0.119 0.000 0.950 245 K CA -2.017 54.316 56.287 0.078 0.000 0.849 245 K CB 1.927 34.396 32.500 -0.052 0.000 1.100 245 K HN 0.032 nan 8.250 nan 0.000 0.434 246 P HA 0.077 nan 4.420 nan 0.000 0.275 246 P C -1.226 176.141 177.300 0.113 0.000 1.270 246 P CA -0.465 62.679 63.100 0.073 0.000 0.791 246 P CB 0.507 32.227 31.700 0.034 0.000 1.089 247 L N 0.170 121.450 121.223 0.095 0.000 2.493 247 L HA 0.508 4.847 4.340 -0.001 0.000 0.265 247 L C -1.742 175.156 176.870 0.047 0.000 0.954 247 L CA -1.075 53.832 54.840 0.112 0.000 0.844 247 L CB 1.611 43.748 42.059 0.129 0.000 1.302 247 L HN 0.131 nan 8.230 nan 0.000 0.405 248 L N 5.953 127.204 121.223 0.047 0.000 2.282 248 L HA 0.624 4.963 4.340 -0.001 0.000 0.288 248 L C -1.081 175.800 176.870 0.019 0.000 1.033 248 L CA -0.205 54.639 54.840 0.007 0.000 0.807 248 L CB 1.117 43.188 42.059 0.021 0.000 1.209 248 L HN 0.466 nan 8.230 nan 0.000 0.423 249 I N 7.336 127.898 120.570 -0.012 0.000 2.306 249 I HA 0.273 4.443 4.170 -0.001 0.000 0.288 249 I C -0.179 175.951 176.117 0.022 0.000 1.036 249 I CA -0.206 61.100 61.300 0.010 0.000 1.221 249 I CB 0.782 38.788 38.000 0.010 0.000 1.385 249 I HN 0.548 nan 8.210 nan 0.000 0.472 250 I N 5.934 126.529 120.570 0.042 0.000 2.347 250 I HA 0.448 4.618 4.170 -0.001 0.000 0.283 250 I C 0.597 176.740 176.117 0.043 0.000 1.058 250 I CA -0.096 61.240 61.300 0.060 0.000 1.202 250 I CB 0.973 39.016 38.000 0.071 0.000 1.386 250 I HN 0.614 nan 8.210 nan 0.000 0.475 251 A N 4.340 127.189 122.820 0.049 0.000 2.288 251 A HA 0.395 4.715 4.320 -0.001 0.000 0.328 251 A C 1.173 178.788 177.584 0.051 0.000 1.123 251 A CA -0.531 51.533 52.037 0.044 0.000 0.861 251 A CB 0.945 19.973 19.000 0.046 0.000 1.272 251 A HN 0.742 nan 8.150 nan 0.000 0.490 252 E N -0.629 119.597 120.200 0.044 0.000 2.160 252 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 252 E C -0.421 176.216 176.600 0.061 0.000 0.991 252 E CA 1.659 58.090 56.400 0.052 0.000 0.810 252 E CB 0.123 29.849 29.700 0.045 0.000 0.742 252 E HN 0.637 nan 8.360 nan 0.000 0.466 253 D N -2.144 118.291 120.400 0.060 0.000 2.766 253 D HA 0.121 4.760 4.640 -0.001 0.000 0.244 253 D C -1.929 174.413 176.300 0.069 0.000 1.198 253 D CA -0.508 53.532 54.000 0.067 0.000 0.739 253 D CB 1.935 42.771 40.800 0.061 0.000 1.379 253 D HN -0.131 nan 8.370 nan 0.000 0.437 254 V N 2.673 122.637 119.914 0.084 0.000 2.305 254 V HA 0.415 4.535 4.120 -0.001 0.000 0.275 254 V C 0.470 176.619 176.094 0.092 0.000 1.020 254 V CA -0.677 61.678 62.300 0.091 0.000 0.811 254 V CB 0.964 32.858 31.823 0.119 0.000 1.031 254 V HN 0.424 nan 8.190 nan 0.000 0.439 255 E N 2.468 122.710 120.200 0.070 0.000 2.620 255 E HA 0.376 4.726 4.350 -0.001 0.000 0.255 255 E C 1.567 178.200 176.600 0.056 0.000 1.346 255 E CA 0.130 56.566 56.400 0.059 0.000 1.013 255 E CB 0.581 30.308 29.700 0.045 0.000 1.131 255 E HN 0.606 nan 8.360 nan 0.000 0.608 256 G N 0.838 109.665 108.800 0.044 0.000 2.855 256 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.227 256 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.227 256 G C 1.286 176.204 174.900 0.031 0.000 1.245 256 G CA 1.334 46.455 45.100 0.035 0.000 0.781 256 G HN 0.563 nan 8.290 nan 0.000 0.666 257 E N 0.825 121.041 120.200 0.027 0.000 2.026 257 E HA -0.206 4.143 4.350 -0.001 0.000 0.206 257 E C 3.039 179.656 176.600 0.027 0.000 1.028 257 E CA 1.666 58.080 56.400 0.022 0.000 0.845 257 E CB -0.773 28.938 29.700 0.019 0.000 0.772 257 E HN 0.314 nan 8.360 nan 0.000 0.462 258 A N 1.269 124.111 122.820 0.037 0.000 1.865 258 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 258 A C 2.337 179.959 177.584 0.063 0.000 1.191 258 A CA 1.847 53.912 52.037 0.047 0.000 0.623 258 A CB -0.997 18.035 19.000 0.052 0.000 0.826 258 A HN 0.345 nan 8.150 nan 0.000 0.444 259 L N -0.141 121.129 121.223 0.079 0.000 1.951 259 L HA -0.230 4.110 4.340 -0.001 0.000 0.222 259 L C 2.797 179.699 176.870 0.053 0.000 1.078 259 L CA 2.747 57.650 54.840 0.105 0.000 0.778 259 L CB -1.113 41.011 42.059 0.109 0.000 0.893 259 L HN 0.429 nan 8.230 nan 0.000 0.436 260 A N -1.873 120.959 122.820 0.021 0.000 1.954 260 A HA -0.339 3.981 4.320 -0.001 0.000 0.222 260 A C 2.225 179.792 177.584 -0.028 0.000 1.199 260 A CA 2.966 54.991 52.037 -0.019 0.000 0.657 260 A CB -1.471 17.521 19.000 -0.015 0.000 0.823 260 A HN 0.648 nan 8.150 nan 0.000 0.463 261 T N 0.137 114.692 114.554 0.001 0.000 2.639 261 T HA -0.074 4.276 4.350 -0.001 0.000 0.261 261 T C 1.858 176.568 174.700 0.016 0.000 1.053 261 T CA 1.296 63.398 62.100 0.003 0.000 1.158 261 T CB -0.529 68.349 68.868 0.016 0.000 0.863 261 T HN 0.349 nan 8.240 nan 0.000 0.413 262 L N 0.958 122.216 121.223 0.058 0.000 2.010 262 L HA -0.233 4.107 4.340 -0.001 0.000 0.219 262 L C 2.693 179.611 176.870 0.080 0.000 1.077 262 L CA 1.416 56.322 54.840 0.110 0.000 0.773 262 L CB -0.981 41.204 42.059 0.211 0.000 0.892 262 L HN 0.157 nan 8.230 nan 0.000 0.436 263 V N -0.657 119.253 119.914 -0.006 0.000 2.220 263 V HA -0.360 3.760 4.120 -0.001 0.000 0.250 263 V C 2.378 178.394 176.094 -0.131 0.000 1.056 263 V CA 2.220 64.422 62.300 -0.164 0.000 1.016 263 V CB -0.784 30.886 31.823 -0.254 0.000 0.639 263 V HN 0.281 nan 8.190 nan 0.000 0.446 264 V N 0.618 120.464 119.914 -0.112 0.000 2.317 264 V HA -0.344 3.776 4.120 -0.001 0.000 0.251 264 V C 2.183 178.245 176.094 -0.055 0.000 1.065 264 V CA 2.547 64.788 62.300 -0.098 0.000 1.049 264 V CB -1.050 30.730 31.823 -0.071 0.000 0.651 264 V HN 0.621 nan 8.190 nan 0.000 0.450 265 N N 0.392 119.081 118.700 -0.018 0.000 2.109 265 N HA -0.143 4.597 4.740 -0.001 0.000 0.188 265 N C 2.059 177.581 175.510 0.021 0.000 1.034 265 N CA 2.048 55.102 53.050 0.008 0.000 0.846 265 N CB -0.325 38.179 38.487 0.029 0.000 1.010 265 N HN 0.694 nan 8.380 nan 0.000 0.425 266 T N 0.065 114.647 114.554 0.047 0.000 2.759 266 T HA -0.168 4.182 4.350 -0.001 0.000 0.269 266 T C 1.991 176.712 174.700 0.036 0.000 1.042 266 T CA 0.958 63.103 62.100 0.074 0.000 1.140 266 T CB -0.273 68.692 68.868 0.162 0.000 0.864 266 T HN 0.005 nan 8.240 nan 0.000 0.455 267 M N 1.449 121.042 119.600 -0.012 0.000 2.065 267 M HA 0.045 4.525 4.480 -0.001 0.000 0.259 267 M C 2.134 178.420 176.300 -0.023 0.000 1.069 267 M CA 1.585 56.861 55.300 -0.040 0.000 1.110 267 M CB -0.376 32.157 32.600 -0.112 0.000 1.328 267 M HN 0.052 nan 8.290 nan 0.000 0.405 268 R N -0.071 120.415 120.500 -0.023 0.000 2.391 268 R HA 0.162 4.502 4.340 -0.001 0.000 0.225 268 R C 0.788 177.088 176.300 -0.000 0.000 1.079 268 R CA 0.536 56.627 56.100 -0.015 0.000 1.147 268 R CB -0.930 29.358 30.300 -0.019 0.000 1.103 268 R HN 0.730 nan 8.270 nan 0.000 0.499 269 G N 1.091 109.897 108.800 0.009 0.000 2.258 269 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.274 269 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.274 269 G C 0.708 175.621 174.900 0.022 0.000 1.021 269 G CA 0.442 45.553 45.100 0.019 0.000 0.798 269 G HN 0.372 nan 8.290 nan 0.000 0.507 270 I N -1.144 119.439 120.570 0.022 0.000 2.094 270 I HA 0.034 4.204 4.170 -0.001 0.000 0.234 270 I C 1.123 177.260 176.117 0.033 0.000 1.063 270 I CA 1.461 62.775 61.300 0.023 0.000 1.328 270 I CB -0.175 37.837 38.000 0.020 0.000 1.058 270 I HN 0.093 nan 8.210 nan 0.000 0.400 271 V N 0.565 120.505 119.914 0.044 0.000 2.686 271 V HA 0.262 4.381 4.120 -0.001 0.000 0.306 271 V C -0.744 175.391 176.094 0.069 0.000 1.065 271 V CA -1.071 61.261 62.300 0.055 0.000 0.894 271 V CB 1.788 33.644 31.823 0.056 0.000 1.004 271 V HN 0.090 nan 8.190 nan 0.000 0.424 272 K N 2.868 123.310 120.400 0.070 0.000 2.349 272 K HA 0.619 4.938 4.320 -0.001 0.000 0.288 272 K C -0.784 175.868 176.600 0.085 0.000 1.058 272 K CA 0.137 56.472 56.287 0.081 0.000 0.953 272 K CB 0.994 33.533 32.500 0.065 0.000 0.997 272 K HN 0.500 nan 8.250 nan 0.000 0.477 273 V N 1.663 121.644 119.914 0.111 0.000 2.808 273 V HA 0.770 4.889 4.120 -0.001 0.000 0.308 273 V C -0.904 175.191 176.094 0.001 0.000 1.099 273 V CA -1.131 61.214 62.300 0.076 0.000 0.920 273 V CB 1.998 33.884 31.823 0.106 0.000 1.014 273 V HN 0.792 nan 8.190 nan 0.000 0.425 274 A N 2.739 125.422 122.820 -0.228 0.000 2.413 274 A HA 1.059 5.378 4.320 -0.001 0.000 0.307 274 A C -0.508 176.705 177.584 -0.619 0.000 1.087 274 A CA -0.254 51.327 52.037 -0.760 0.000 0.750 274 A CB 2.026 20.749 19.000 -0.462 0.000 1.296 274 A HN 1.798 nan 8.150 nan 0.000 0.423 275 A N 0.461 122.741 122.820 -0.900 0.000 2.449 275 A HA 0.811 5.131 4.320 -0.001 0.000 0.302 275 A C -0.721 176.782 177.584 -0.136 0.000 1.048 275 A CA -0.125 51.733 52.037 -0.299 0.000 0.708 275 A CB 1.387 20.347 19.000 -0.066 0.000 1.274 275 A HN 2.259 nan 8.150 nan 0.000 0.410 276 V N -0.783 119.122 119.914 -0.016 0.000 3.012 276 V HA 0.582 4.702 4.120 -0.001 0.000 0.307 276 V C -0.445 175.707 176.094 0.096 0.000 1.166 276 V CA -1.296 61.030 62.300 0.043 0.000 0.974 276 V CB 1.348 33.185 31.823 0.023 0.000 1.040 276 V HN 0.898 nan 8.190 nan 0.000 0.428 277 K N 1.763 122.225 120.400 0.104 0.000 2.380 277 K HA 0.585 4.904 4.320 -0.001 0.000 0.267 277 K C 0.512 177.215 176.600 0.172 0.000 0.990 277 K CA 0.468 56.825 56.287 0.117 0.000 0.946 277 K CB 0.833 33.392 32.500 0.099 0.000 0.937 277 K HN 1.130 nan 8.250 nan 0.000 0.491 278 A N 3.589 126.485 122.820 0.126 0.000 2.371 278 A HA 0.270 4.590 4.320 -0.001 0.000 0.257 278 A C -2.147 175.507 177.584 0.117 0.000 1.089 278 A CA -1.308 50.785 52.037 0.092 0.000 0.794 278 A CB -0.190 18.829 19.000 0.033 0.000 1.029 278 A HN 0.455 nan 8.150 nan 0.000 0.488 279 P HA 0.378 nan 4.420 nan 0.000 0.276 279 P C 0.769 178.119 177.300 0.082 0.000 1.235 279 P CA 1.507 64.673 63.100 0.111 0.000 0.772 279 P CB 0.667 32.346 31.700 -0.035 0.000 0.871 280 G N 3.116 112.003 108.800 0.144 0.000 2.539 280 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.256 280 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.256 280 G C -0.685 174.395 174.900 0.299 0.000 1.233 280 G CA 0.222 45.441 45.100 0.199 0.000 0.936 280 G HN 0.761 nan 8.290 nan 0.000 0.571 281 F N -2.953 117.013 119.950 0.027 0.000 3.052 281 F HA 0.734 5.261 4.527 -0.001 0.000 0.323 281 F C 1.061 176.874 175.800 0.022 0.000 1.178 281 F CA 0.755 58.769 58.000 0.024 0.000 0.892 281 F CB 0.654 39.671 39.000 0.029 0.000 1.416 281 F HN 2.546 nan 8.300 nan 0.000 0.488 282 G N 1.101 109.751 108.800 -0.251 0.000 2.556 282 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.283 282 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.283 282 G C 0.327 175.111 174.900 -0.194 0.000 1.177 282 G CA 0.623 45.518 45.100 -0.342 0.000 0.978 282 G HN 0.930 nan 8.290 nan 0.000 0.554 283 D N 1.078 121.352 120.400 -0.210 0.000 2.110 283 D HA -0.057 4.583 4.640 -0.001 0.000 0.202 283 D C 2.622 178.848 176.300 -0.123 0.000 0.975 283 D CA 1.522 55.444 54.000 -0.128 0.000 0.839 283 D CB -0.125 40.611 40.800 -0.108 0.000 0.996 283 D HN 0.608 nan 8.370 nan 0.000 0.464 284 R N 1.517 121.924 120.500 -0.154 0.000 2.139 284 R HA -0.124 4.216 4.340 -0.001 0.000 0.243 284 R C 2.286 178.524 176.300 -0.102 0.000 1.145 284 R CA 1.024 57.048 56.100 -0.125 0.000 0.976 284 R CB -0.605 29.615 30.300 -0.134 0.000 0.866 284 R HN 0.076 nan 8.270 nan 0.000 0.449 285 R N 1.840 122.282 120.500 -0.097 0.000 2.112 285 R HA -0.228 4.111 4.340 -0.001 0.000 0.242 285 R C 1.686 177.950 176.300 -0.060 0.000 1.137 285 R CA 2.480 58.546 56.100 -0.056 0.000 0.944 285 R CB -0.168 30.124 30.300 -0.012 0.000 0.857 285 R HN 0.353 nan 8.270 nan 0.000 0.435 286 K N -0.186 120.181 120.400 -0.054 0.000 2.057 286 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 286 K C 2.187 178.752 176.600 -0.057 0.000 1.049 286 K CA 1.560 57.819 56.287 -0.047 0.000 0.931 286 K CB -0.217 32.260 32.500 -0.038 0.000 0.714 286 K HN 0.288 nan 8.250 nan 0.000 0.440 287 A N 1.243 124.024 122.820 -0.065 0.000 1.898 287 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 287 A C 2.164 179.700 177.584 -0.079 0.000 1.181 287 A CA 1.270 53.267 52.037 -0.067 0.000 0.620 287 A CB -0.408 18.551 19.000 -0.068 0.000 0.819 287 A HN 0.176 nan 8.150 nan 0.000 0.442 288 M N -1.040 118.504 119.600 -0.094 0.000 2.175 288 M HA -0.073 4.407 4.480 -0.001 0.000 0.264 288 M C 2.224 178.432 176.300 -0.152 0.000 1.063 288 M CA 1.280 56.507 55.300 -0.122 0.000 1.119 288 M CB -0.316 32.206 32.600 -0.129 0.000 1.377 288 M HN 0.498 nan 8.290 nan 0.000 0.415 289 L N 0.069 121.212 121.223 -0.133 0.000 2.046 289 L HA -0.275 4.064 4.340 -0.001 0.000 0.208 289 L C 2.590 179.402 176.870 -0.096 0.000 1.077 289 L CA 1.494 56.258 54.840 -0.128 0.000 0.747 289 L CB -0.309 41.699 42.059 -0.085 0.000 0.896 289 L HN 0.296 nan 8.230 nan 0.000 0.432 290 Q N 0.231 119.986 119.800 -0.075 0.000 2.096 290 Q HA -0.267 4.073 4.340 -0.001 0.000 0.204 290 Q C 1.698 177.662 176.000 -0.060 0.000 0.982 290 Q CA 2.297 58.066 55.803 -0.057 0.000 0.850 290 Q CB -0.365 28.343 28.738 -0.049 0.000 0.901 290 Q HN 0.479 nan 8.270 nan 0.000 0.422 291 D N -0.155 120.200 120.400 -0.074 0.000 2.123 291 D HA -0.168 4.471 4.640 -0.001 0.000 0.196 291 D C 1.941 178.197 176.300 -0.072 0.000 0.992 291 D CA 1.510 55.468 54.000 -0.071 0.000 0.833 291 D CB -0.244 40.507 40.800 -0.083 0.000 0.954 291 D HN 0.411 nan 8.370 nan 0.000 0.455 292 I N 1.245 121.754 120.570 -0.101 0.000 2.286 292 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 292 I C 2.538 178.624 176.117 -0.051 0.000 1.115 292 I CA 0.931 62.172 61.300 -0.098 0.000 1.392 292 I CB -0.216 37.687 38.000 -0.162 0.000 1.065 292 I HN -0.078 nan 8.210 nan 0.000 0.418 293 A N 0.705 123.498 122.820 -0.045 0.000 1.877 293 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 293 A C 2.414 179.989 177.584 -0.015 0.000 1.186 293 A CA 2.581 54.605 52.037 -0.022 0.000 0.620 293 A CB -1.202 17.785 19.000 -0.022 0.000 0.822 293 A HN 0.401 nan 8.150 nan 0.000 0.443 294 T N 0.589 115.130 114.554 -0.022 0.000 2.652 294 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 294 T C 1.835 176.528 174.700 -0.012 0.000 1.039 294 T CA 1.356 63.446 62.100 -0.017 0.000 1.153 294 T CB -0.424 68.431 68.868 -0.022 0.000 0.863 294 T HN 0.246 nan 8.240 nan 0.000 0.428 295 L N 1.924 123.138 121.223 -0.015 0.000 2.127 295 L HA -0.095 4.244 4.340 -0.001 0.000 0.211 295 L C 2.326 179.195 176.870 -0.001 0.000 1.089 295 L CA 2.380 57.215 54.840 -0.008 0.000 0.757 295 L CB -1.434 40.619 42.059 -0.010 0.000 0.899 295 L HN 0.528 nan 8.230 nan 0.000 0.434 296 T N -4.562 109.994 114.554 0.003 0.000 3.069 296 T HA 0.272 4.621 4.350 -0.001 0.000 0.252 296 T C 1.241 175.954 174.700 0.022 0.000 1.053 296 T CA 0.383 62.491 62.100 0.013 0.000 0.964 296 T CB 0.057 68.938 68.868 0.021 0.000 1.005 296 T HN 0.485 nan 8.240 nan 0.000 0.532 297 G N 0.682 109.491 108.800 0.015 0.000 2.273 297 G HA2 0.053 4.012 3.960 -0.001 0.000 0.280 297 G HA3 0.053 4.012 3.960 -0.001 0.000 0.280 297 G C 0.306 175.223 174.900 0.029 0.000 1.047 297 G CA -0.134 44.978 45.100 0.020 0.000 0.869 297 G HN 1.042 nan 8.290 nan 0.000 0.502 298 G N -1.701 107.113 108.800 0.024 0.000 2.667 298 G HA2 0.784 4.744 3.960 -0.001 0.000 0.310 298 G HA3 0.784 4.744 3.960 -0.001 0.000 0.310 298 G C -0.435 174.471 174.900 0.010 0.000 1.259 298 G CA 0.090 45.205 45.100 0.026 0.000 1.019 298 G HN 0.595 nan 8.290 nan 0.000 0.496 299 T N 0.492 115.049 114.554 0.006 0.000 2.779 299 T HA 0.419 4.769 4.350 -0.001 0.000 0.280 299 T C 0.231 174.928 174.700 -0.005 0.000 0.987 299 T CA -0.277 61.822 62.100 -0.002 0.000 0.966 299 T CB 1.600 70.465 68.868 -0.004 0.000 0.933 299 T HN 0.364 nan 8.240 nan 0.000 0.442 300 V N 4.678 124.586 119.914 -0.010 0.000 2.599 300 V HA 0.152 4.272 4.120 -0.001 0.000 0.300 300 V C 0.333 176.421 176.094 -0.009 0.000 1.034 300 V CA 0.104 62.397 62.300 -0.013 0.000 1.115 300 V CB -0.036 31.776 31.823 -0.019 0.000 0.934 300 V HN 0.760 nan 8.190 nan 0.000 0.485 301 I N 5.332 125.898 120.570 -0.007 0.000 2.460 301 I HA 0.310 4.480 4.170 -0.001 0.000 0.277 301 I C 0.303 176.418 176.117 -0.003 0.000 1.057 301 I CA 0.129 61.426 61.300 -0.005 0.000 1.179 301 I CB 0.944 38.942 38.000 -0.004 0.000 1.329 301 I HN 0.748 nan 8.210 nan 0.000 0.478 302 S N 2.507 118.205 115.700 -0.004 0.000 2.621 302 S HA 0.465 4.935 4.470 -0.001 0.000 0.302 302 S C 0.453 175.053 174.600 -0.001 0.000 1.093 302 S CA -0.829 57.370 58.200 -0.002 0.000 1.017 302 S CB 1.979 65.176 63.200 -0.005 0.000 1.077 302 S HN 0.554 nan 8.310 nan 0.000 0.517 303 E N 0.471 120.672 120.200 0.001 0.000 2.442 303 E HA -0.016 4.333 4.350 -0.001 0.000 0.195 303 E C 0.963 177.563 176.600 0.000 0.000 1.030 303 E CA 0.413 56.814 56.400 0.002 0.000 0.869 303 E CB -0.072 29.631 29.700 0.004 0.000 0.857 303 E HN 0.785 nan 8.360 nan 0.000 0.505 304 E N 0.608 120.808 120.200 -0.001 0.000 2.418 304 E HA -0.061 4.288 4.350 -0.001 0.000 0.197 304 E C 1.166 177.764 176.600 -0.004 0.000 1.026 304 E CA 0.597 56.996 56.400 -0.002 0.000 0.862 304 E CB 0.066 29.764 29.700 -0.003 0.000 0.799 304 E HN 0.360 nan 8.360 nan 0.000 0.518 305 I N -0.195 120.372 120.570 -0.004 0.000 3.941 305 I HA 0.208 4.378 4.170 -0.001 0.000 0.335 305 I C 0.810 176.925 176.117 -0.004 0.000 1.402 305 I CA -0.212 61.085 61.300 -0.005 0.000 1.112 305 I CB 0.518 38.514 38.000 -0.006 0.000 1.043 305 I HN 0.044 nan 8.210 nan 0.000 0.395 306 G N 2.268 111.066 108.800 -0.003 0.000 2.298 306 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.287 306 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.287 306 G C -0.086 174.812 174.900 -0.003 0.000 1.075 306 G CA 0.070 45.169 45.100 -0.002 0.000 0.960 306 G HN 0.340 nan 8.290 nan 0.000 0.502 307 M N -0.476 119.122 119.600 -0.003 0.000 2.508 307 M HA 0.623 5.103 4.480 -0.001 0.000 0.327 307 M C 0.073 176.372 176.300 -0.002 0.000 1.160 307 M CA -0.584 54.714 55.300 -0.004 0.000 0.980 307 M CB 1.937 34.534 32.600 -0.005 0.000 1.693 307 M HN 0.280 nan 8.290 nan 0.000 0.452 308 E N 1.261 121.459 120.200 -0.003 0.000 2.277 308 E HA 0.370 4.720 4.350 -0.001 0.000 0.266 308 E C 0.138 176.736 176.600 -0.003 0.000 0.901 308 E CA -0.719 55.680 56.400 -0.001 0.000 0.782 308 E CB 2.161 31.860 29.700 -0.001 0.000 1.228 308 E HN 0.612 nan 8.360 nan 0.000 0.424 309 L N 0.974 122.196 121.223 -0.001 0.000 2.191 309 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 309 L C 1.634 178.499 176.870 -0.008 0.000 1.103 309 L CA 1.179 56.018 54.840 -0.003 0.000 0.769 309 L CB -0.379 41.681 42.059 0.002 0.000 0.908 309 L HN 0.586 nan 8.230 nan 0.000 0.438 310 E N 0.606 120.803 120.200 -0.006 0.000 2.077 310 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 310 E C 0.991 177.583 176.600 -0.013 0.000 0.989 310 E CA 1.077 57.472 56.400 -0.009 0.000 0.800 310 E CB -0.011 29.685 29.700 -0.006 0.000 0.746 310 E HN 0.299 nan 8.360 nan 0.000 0.452 311 K N 0.442 120.834 120.400 -0.012 0.000 3.165 311 K HA 0.406 4.725 4.320 -0.001 0.000 0.259 311 K C -0.946 175.643 176.600 -0.019 0.000 1.282 311 K CA -0.222 56.056 56.287 -0.015 0.000 1.259 311 K CB 0.780 33.273 32.500 -0.012 0.000 1.546 311 K HN -0.023 nan 8.250 nan 0.000 0.384 312 A N 1.312 124.116 122.820 -0.025 0.000 2.375 312 A HA 0.328 4.648 4.320 -0.001 0.000 0.291 312 A C 0.104 177.658 177.584 -0.050 0.000 1.160 312 A CA -0.726 51.291 52.037 -0.033 0.000 0.747 312 A CB 0.583 19.566 19.000 -0.029 0.000 1.170 312 A HN 0.322 nan 8.150 nan 0.000 0.458 313 T N 0.101 114.622 114.554 -0.056 0.000 2.862 313 T HA 0.490 4.840 4.350 -0.001 0.000 0.276 313 T C 1.289 175.918 174.700 -0.119 0.000 0.974 313 T CA -0.662 61.390 62.100 -0.079 0.000 0.966 313 T CB 0.429 69.260 68.868 -0.061 0.000 1.072 313 T HN 0.356 nan 8.240 nan 0.000 0.538 314 L N -0.011 121.104 121.223 -0.180 0.000 2.197 314 L HA -0.126 4.214 4.340 -0.001 0.000 0.215 314 L C 2.893 179.646 176.870 -0.194 0.000 1.095 314 L CA 1.654 56.305 54.840 -0.315 0.000 0.764 314 L CB -0.547 41.270 42.059 -0.404 0.000 0.897 314 L HN 0.856 nan 8.230 nan 0.000 0.436 315 E N -0.139 120.005 120.200 -0.092 0.000 2.358 315 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 315 E C 1.104 177.696 176.600 -0.013 0.000 1.010 315 E CA 0.672 57.055 56.400 -0.029 0.000 0.856 315 E CB 0.191 29.881 29.700 -0.017 0.000 0.795 315 E HN 0.549 nan 8.360 nan 0.000 0.504 316 D N 0.179 120.561 120.400 -0.031 0.000 2.347 316 D HA -0.036 4.604 4.640 -0.001 0.000 0.213 316 D C 0.116 176.416 176.300 -0.000 0.000 0.985 316 D CA 0.250 54.241 54.000 -0.015 0.000 0.879 316 D CB 0.354 41.140 40.800 -0.023 0.000 0.919 316 D HN 0.132 nan 8.370 nan 0.000 0.526 317 L N 1.111 122.333 121.223 -0.001 0.000 2.326 317 L HA 0.318 4.658 4.340 -0.001 0.000 0.278 317 L C 1.350 178.294 176.870 0.124 0.000 1.092 317 L CA -0.203 54.667 54.840 0.050 0.000 0.810 317 L CB 1.315 43.388 42.059 0.023 0.000 1.153 317 L HN -0.155 nan 8.230 nan 0.000 0.439 318 G N 1.708 110.575 108.800 0.112 0.000 2.684 318 G HA2 0.383 4.342 3.960 -0.001 0.000 0.255 318 G HA3 0.383 4.342 3.960 -0.001 0.000 0.255 318 G C -0.801 174.191 174.900 0.152 0.000 1.219 318 G CA -0.179 44.983 45.100 0.103 0.000 0.901 318 G HN 0.595 nan 8.290 nan 0.000 0.548 319 Q N -1.626 118.219 119.800 0.076 0.000 2.377 319 Q HA 0.597 4.937 4.340 -0.001 0.000 0.279 319 Q C -0.778 175.208 176.000 -0.024 0.000 1.049 319 Q CA -0.689 55.114 55.803 0.000 0.000 0.825 319 Q CB 2.098 30.809 28.738 -0.045 0.000 1.401 319 Q HN 0.945 nan 8.270 nan 0.000 0.404 320 A N 1.975 124.762 122.820 -0.056 0.000 2.524 320 A HA 0.544 4.863 4.320 -0.001 0.000 0.286 320 A C -0.551 176.995 177.584 -0.064 0.000 1.203 320 A CA -0.541 51.471 52.037 -0.041 0.000 0.736 320 A CB 1.471 20.463 19.000 -0.014 0.000 1.322 320 A HN 0.783 nan 8.150 nan 0.000 0.424 321 K N -0.805 119.569 120.400 -0.044 0.000 2.284 321 K HA 0.189 4.508 4.320 -0.001 0.000 0.198 321 K C 0.303 176.879 176.600 -0.039 0.000 1.048 321 K CA 0.791 57.051 56.287 -0.046 0.000 0.987 321 K CB 0.302 32.783 32.500 -0.032 0.000 0.800 321 K HN 0.512 nan 8.250 nan 0.000 0.486 322 R N -0.026 120.458 120.500 -0.026 0.000 2.629 322 R HA 0.247 4.587 4.340 -0.001 0.000 0.266 322 R C -1.768 174.527 176.300 -0.008 0.000 1.051 322 R CA -0.578 55.512 56.100 -0.018 0.000 0.895 322 R CB 2.333 32.626 30.300 -0.012 0.000 1.246 322 R HN -0.079 nan 8.270 nan 0.000 0.459 323 V N -0.716 119.195 119.914 -0.006 0.000 2.925 323 V HA 0.862 4.981 4.120 -0.001 0.000 0.311 323 V C -1.178 174.912 176.094 -0.006 0.000 1.104 323 V CA -0.713 61.587 62.300 -0.000 0.000 0.954 323 V CB 2.270 34.097 31.823 0.007 0.000 1.022 323 V HN 0.415 nan 8.190 nan 0.000 0.427 324 V N 4.621 124.525 119.914 -0.016 0.000 2.760 324 V HA 0.663 4.782 4.120 -0.001 0.000 0.309 324 V C -0.480 175.585 176.094 -0.049 0.000 1.077 324 V CA -0.324 61.965 62.300 -0.019 0.000 0.910 324 V CB 1.798 33.610 31.823 -0.017 0.000 1.008 324 V HN 1.162 nan 8.190 nan 0.000 0.424 325 I N 1.198 121.754 120.570 -0.023 0.000 2.499 325 I HA 0.675 4.845 4.170 -0.001 0.000 0.288 325 I C -0.653 175.455 176.117 -0.014 0.000 1.048 325 I CA -0.415 60.850 61.300 -0.058 0.000 1.062 325 I CB 2.075 40.042 38.000 -0.056 0.000 1.238 325 I HN 0.473 nan 8.210 nan 0.000 0.426 326 N N 5.026 123.652 118.700 -0.123 0.000 2.566 326 N HA 0.206 4.945 4.740 -0.001 0.000 0.299 326 N C 0.690 175.934 175.510 -0.445 0.000 1.277 326 N CA -0.663 52.308 53.050 -0.131 0.000 0.965 326 N CB 0.848 39.267 38.487 -0.114 0.000 1.142 326 N HN 0.697 nan 8.380 nan 0.000 0.596 327 K N 0.191 120.356 120.400 -0.393 0.000 2.173 327 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 327 K C -0.482 175.799 176.600 -0.531 0.000 1.046 327 K CA 2.308 58.253 56.287 -0.570 0.000 0.929 327 K CB -0.048 32.350 32.500 -0.170 0.000 0.720 327 K HN 0.635 nan 8.250 nan 0.000 0.453 328 D N -2.128 118.066 120.400 -0.343 0.000 2.783 328 D HA 0.083 4.723 4.640 -0.001 0.000 0.306 328 D C -1.009 175.157 176.300 -0.222 0.000 1.633 328 D CA -0.415 53.438 54.000 -0.245 0.000 0.796 328 D CB 0.818 41.526 40.800 -0.152 0.000 1.230 328 D HN -0.152 nan 8.370 nan 0.000 0.441 329 T N 0.462 114.859 114.554 -0.261 0.000 3.187 329 T HA 0.395 4.745 4.350 -0.001 0.000 0.328 329 T C -0.771 173.728 174.700 -0.334 0.000 0.951 329 T CA -0.358 61.580 62.100 -0.270 0.000 1.049 329 T CB 1.514 70.277 68.868 -0.175 0.000 1.015 329 T HN -0.078 nan 8.240 nan 0.000 0.461 330 T N 2.958 117.166 114.554 -0.576 0.000 2.845 330 T HA 0.661 5.010 4.350 -0.001 0.000 0.288 330 T C 0.201 174.576 174.700 -0.541 0.000 0.980 330 T CA -0.452 61.275 62.100 -0.621 0.000 1.071 330 T CB 1.349 69.691 68.868 -0.877 0.000 0.941 330 T HN 0.590 nan 8.240 nan 0.000 0.487 331 T N 2.304 116.734 114.554 -0.206 0.000 2.971 331 T HA 0.656 5.006 4.350 -0.001 0.000 0.304 331 T C -1.194 173.527 174.700 0.036 0.000 1.038 331 T CA -0.752 61.323 62.100 -0.041 0.000 1.007 331 T CB 0.418 69.260 68.868 -0.043 0.000 1.055 331 T HN 0.424 nan 8.240 nan 0.000 0.451 332 I N 5.429 126.058 120.570 0.099 0.000 2.355 332 I HA 0.477 4.647 4.170 -0.001 0.000 0.288 332 I C -0.258 175.887 176.117 0.047 0.000 0.999 332 I CA -0.773 60.573 61.300 0.077 0.000 1.163 332 I CB 1.558 39.620 38.000 0.104 0.000 1.316 332 I HN 0.582 nan 8.210 nan 0.000 0.454 333 I N 5.249 125.834 120.570 0.024 0.000 2.359 333 I HA 0.299 4.469 4.170 -0.001 0.000 0.294 333 I C -0.413 175.708 176.117 0.007 0.000 0.987 333 I CA -0.468 60.840 61.300 0.014 0.000 1.225 333 I CB 1.079 39.083 38.000 0.006 0.000 1.366 333 I HN 0.595 nan 8.210 nan 0.000 0.466 334 D N 4.432 124.836 120.400 0.005 0.000 4.044 334 D HA -0.100 4.540 4.640 -0.001 0.000 0.242 334 D C 0.095 176.393 176.300 -0.004 0.000 1.076 334 D CA 0.970 54.970 54.000 -0.001 0.000 1.171 334 D CB -0.113 40.683 40.800 -0.006 0.000 0.866 334 D HN 0.843 nan 8.370 nan 0.000 0.413 335 G N 0.815 109.615 108.800 -0.000 0.000 2.537 335 G HA2 0.414 4.373 3.960 -0.001 0.000 0.273 335 G HA3 0.414 4.373 3.960 -0.001 0.000 0.273 335 G C 1.266 176.163 174.900 -0.004 0.000 1.189 335 G CA -0.443 44.656 45.100 -0.001 0.000 0.881 335 G HN 0.383 nan 8.290 nan 0.000 0.535 336 V N 1.175 121.087 119.914 -0.003 0.000 3.129 336 V HA 0.094 4.213 4.120 -0.001 0.000 0.259 336 V C 2.057 178.154 176.094 0.005 0.000 1.116 336 V CA 0.928 63.228 62.300 -0.001 0.000 1.127 336 V CB -0.665 31.159 31.823 0.002 0.000 0.742 336 V HN 0.809 nan 8.190 nan 0.000 0.474 337 G N 1.036 109.839 108.800 0.006 0.000 2.305 337 G HA2 0.100 4.059 3.960 -0.001 0.000 0.243 337 G HA3 0.100 4.059 3.960 -0.001 0.000 0.243 337 G C -0.154 174.747 174.900 0.002 0.000 1.288 337 G CA -0.161 44.942 45.100 0.005 0.000 0.901 337 G HN 0.526 nan 8.290 nan 0.000 0.516 338 E N 1.724 121.926 120.200 0.002 0.000 2.331 338 E HA 0.094 4.444 4.350 -0.001 0.000 0.272 338 E C 0.623 177.222 176.600 -0.002 0.000 1.036 338 E CA -0.235 56.165 56.400 0.000 0.000 0.864 338 E CB 1.595 31.295 29.700 0.001 0.000 1.035 338 E HN 0.659 nan 8.360 nan 0.000 0.408 339 E N 1.442 121.641 120.200 -0.002 0.000 2.463 339 E HA -0.198 4.152 4.350 -0.001 0.000 0.201 339 E C 1.451 178.049 176.600 -0.004 0.000 1.045 339 E CA 0.614 57.012 56.400 -0.003 0.000 0.872 339 E CB -0.004 29.694 29.700 -0.003 0.000 0.797 339 E HN 0.568 nan 8.360 nan 0.000 0.538 340 A N 1.562 124.380 122.820 -0.003 0.000 1.841 340 A HA -0.059 4.261 4.320 -0.001 0.000 0.214 340 A C 2.416 179.997 177.584 -0.005 0.000 1.195 340 A CA 1.462 53.497 52.037 -0.004 0.000 0.611 340 A CB -0.779 18.220 19.000 -0.003 0.000 0.835 340 A HN 0.313 nan 8.150 nan 0.000 0.443 341 A N 0.048 122.865 122.820 -0.005 0.000 1.883 341 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 341 A C 2.138 179.717 177.584 -0.009 0.000 1.186 341 A CA 1.653 53.686 52.037 -0.006 0.000 0.624 341 A CB -0.770 18.227 19.000 -0.005 0.000 0.822 341 A HN 0.518 nan 8.150 nan 0.000 0.444 342 I N -1.075 119.490 120.570 -0.008 0.000 2.058 342 I HA -0.316 3.853 4.170 -0.001 0.000 0.235 342 I C 2.749 178.860 176.117 -0.011 0.000 1.053 342 I CA 1.996 63.290 61.300 -0.010 0.000 1.313 342 I CB -0.567 37.428 38.000 -0.008 0.000 1.039 342 I HN 0.346 nan 8.210 nan 0.000 0.396 343 Q N 1.302 121.096 119.800 -0.009 0.000 2.234 343 Q HA -0.139 4.201 4.340 -0.001 0.000 0.206 343 Q C 1.941 177.935 176.000 -0.010 0.000 0.980 343 Q CA 1.904 57.701 55.803 -0.009 0.000 0.869 343 Q CB -0.680 28.054 28.738 -0.007 0.000 0.912 343 Q HN 0.556 nan 8.270 nan 0.000 0.436 344 G N 0.051 108.845 108.800 -0.010 0.000 2.484 344 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.215 344 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.215 344 G C 1.470 176.362 174.900 -0.014 0.000 1.219 344 G CA 0.871 45.964 45.100 -0.011 0.000 0.791 344 G HN 0.379 nan 8.290 nan 0.000 0.550 345 R N 0.248 120.738 120.500 -0.016 0.000 2.105 345 R HA -0.047 4.292 4.340 -0.001 0.000 0.239 345 R C 2.538 178.825 176.300 -0.021 0.000 1.135 345 R CA 1.660 57.748 56.100 -0.020 0.000 0.967 345 R CB -0.949 29.338 30.300 -0.022 0.000 0.861 345 R HN 0.245 nan 8.270 nan 0.000 0.442 346 V N 0.606 120.508 119.914 -0.019 0.000 2.343 346 V HA -0.199 3.920 4.120 -0.001 0.000 0.247 346 V C 2.292 178.375 176.094 -0.019 0.000 1.051 346 V CA 1.966 64.254 62.300 -0.020 0.000 1.036 346 V CB -0.940 30.873 31.823 -0.017 0.000 0.654 346 V HN 0.558 nan 8.190 nan 0.000 0.451 347 A N -1.221 121.589 122.820 -0.016 0.000 2.121 347 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 347 A C 2.156 179.730 177.584 -0.017 0.000 1.154 347 A CA 1.426 53.454 52.037 -0.015 0.000 0.679 347 A CB -0.329 18.664 19.000 -0.012 0.000 0.795 347 A HN 0.660 nan 8.150 nan 0.000 0.458 348 Q N -0.563 119.226 119.800 -0.019 0.000 2.033 348 Q HA -0.019 4.320 4.340 -0.001 0.000 0.196 348 Q C 1.868 177.853 176.000 -0.025 0.000 0.970 348 Q CA 1.402 57.192 55.803 -0.021 0.000 0.828 348 Q CB -0.259 28.466 28.738 -0.022 0.000 0.895 348 Q HN 0.758 nan 8.270 nan 0.000 0.440 349 I N 0.410 120.963 120.570 -0.028 0.000 2.614 349 I HA -0.214 3.956 4.170 -0.001 0.000 0.258 349 I C 2.397 178.496 176.117 -0.030 0.000 1.189 349 I CA 0.751 62.031 61.300 -0.033 0.000 1.462 349 I CB -0.211 37.766 38.000 -0.037 0.000 1.092 349 I HN 0.066 nan 8.210 nan 0.000 0.442 350 R N 1.059 121.544 120.500 -0.025 0.000 2.120 350 R HA -0.141 4.199 4.340 -0.001 0.000 0.234 350 R C 2.051 178.339 176.300 -0.021 0.000 1.123 350 R CA 1.354 57.441 56.100 -0.022 0.000 0.975 350 R CB -0.011 30.278 30.300 -0.018 0.000 0.866 350 R HN 0.436 nan 8.270 nan 0.000 0.446 351 Q N -0.879 118.908 119.800 -0.021 0.000 2.392 351 Q HA 0.001 4.340 4.340 -0.001 0.000 0.203 351 Q C 1.508 177.495 176.000 -0.022 0.000 0.917 351 Q CA 0.198 55.990 55.803 -0.019 0.000 0.939 351 Q CB 0.674 29.402 28.738 -0.016 0.000 1.063 351 Q HN 0.410 nan 8.270 nan 0.000 0.516 352 Q N 0.306 120.090 119.800 -0.027 0.000 2.137 352 Q HA -0.074 4.265 4.340 -0.001 0.000 0.198 352 Q C 2.043 178.024 176.000 -0.033 0.000 0.960 352 Q CA 0.951 56.735 55.803 -0.032 0.000 0.847 352 Q CB 0.024 28.738 28.738 -0.040 0.000 0.915 352 Q HN 0.464 nan 8.270 nan 0.000 0.448 353 I N 1.475 122.026 120.570 -0.033 0.000 2.226 353 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 353 I C 2.150 178.253 176.117 -0.023 0.000 1.100 353 I CA 1.015 62.297 61.300 -0.031 0.000 1.374 353 I CB -0.402 37.580 38.000 -0.030 0.000 1.057 353 I HN 0.087 nan 8.210 nan 0.000 0.413 354 E N 1.376 121.564 120.200 -0.019 0.000 2.118 354 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 354 E C 1.496 178.089 176.600 -0.012 0.000 0.992 354 E CA 1.432 57.823 56.400 -0.014 0.000 0.804 354 E CB -0.294 29.398 29.700 -0.013 0.000 0.741 354 E HN 0.678 nan 8.360 nan 0.000 0.458 355 E N 0.026 120.218 120.200 -0.014 0.000 2.501 355 E HA 0.303 4.652 4.350 -0.001 0.000 0.201 355 E C -0.000 176.592 176.600 -0.013 0.000 1.016 355 E CA -0.046 56.346 56.400 -0.012 0.000 0.920 355 E CB 0.828 30.521 29.700 -0.012 0.000 1.023 355 E HN 0.037 nan 8.360 nan 0.000 0.474 356 A N 1.910 124.719 122.820 -0.018 0.000 2.541 356 A HA 0.073 4.393 4.320 -0.001 0.000 0.293 356 A C 1.385 178.965 177.584 -0.008 0.000 1.307 356 A CA -0.038 51.988 52.037 -0.019 0.000 0.978 356 A CB -0.501 18.481 19.000 -0.031 0.000 1.111 356 A HN 0.267 nan 8.150 nan 0.000 0.535 357 T N 0.024 114.577 114.554 -0.002 0.000 3.118 357 T HA 0.101 4.451 4.350 -0.001 0.000 0.260 357 T C 0.980 175.688 174.700 0.013 0.000 1.139 357 T CA 0.890 62.994 62.100 0.005 0.000 1.085 357 T CB -0.085 68.787 68.868 0.006 0.000 0.934 357 T HN 0.502 nan 8.240 nan 0.000 0.518 358 S N -0.478 115.232 115.700 0.017 0.000 2.747 358 S HA 0.392 4.861 4.470 -0.001 0.000 0.300 358 S C 0.327 174.947 174.600 0.034 0.000 1.121 358 S CA -0.733 57.488 58.200 0.034 0.000 0.995 358 S CB 1.443 64.676 63.200 0.055 0.000 1.113 358 S HN 0.132 nan 8.310 nan 0.000 0.547 359 D N 0.058 120.494 120.400 0.060 0.000 2.290 359 D HA 0.021 4.660 4.640 -0.001 0.000 0.224 359 D C 1.405 177.752 176.300 0.079 0.000 0.967 359 D CA 0.916 54.952 54.000 0.059 0.000 0.893 359 D CB -0.431 40.408 40.800 0.065 0.000 1.037 359 D HN 0.652 nan 8.370 nan 0.000 0.477 360 Y N 2.078 122.377 120.300 -0.001 0.000 2.315 360 Y HA -0.180 4.369 4.550 -0.001 0.000 0.288 360 Y C 1.262 177.158 175.900 -0.007 0.000 1.154 360 Y CA 1.596 59.696 58.100 -0.000 0.000 1.229 360 Y CB -0.172 38.291 38.460 0.005 0.000 0.980 360 Y HN -0.115 nan 8.280 nan 0.000 0.540 361 D N -0.567 119.775 120.400 -0.097 0.000 2.219 361 D HA -0.117 4.523 4.640 -0.001 0.000 0.205 361 D C 2.120 178.335 176.300 -0.141 0.000 0.970 361 D CA 1.024 54.938 54.000 -0.144 0.000 0.851 361 D CB -0.054 40.722 40.800 -0.041 0.000 0.943 361 D HN 0.284 nan 8.370 nan 0.000 0.488 362 R N 0.235 120.675 120.500 -0.100 0.000 2.127 362 R HA -0.054 4.286 4.340 -0.001 0.000 0.217 362 R C 1.649 177.891 176.300 -0.097 0.000 1.074 362 R CA 0.651 56.705 56.100 -0.077 0.000 0.991 362 R CB 0.272 30.548 30.300 -0.041 0.000 0.895 362 R HN 0.074 nan 8.270 nan 0.000 0.450 363 E N 1.108 121.233 120.200 -0.126 0.000 2.023 363 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 363 E C 1.769 178.287 176.600 -0.137 0.000 1.003 363 E CA 1.180 57.509 56.400 -0.118 0.000 0.809 363 E CB -0.185 29.445 29.700 -0.117 0.000 0.755 363 E HN 0.145 nan 8.360 nan 0.000 0.449 364 K N 0.936 121.204 120.400 -0.221 0.000 2.032 364 K HA -0.062 4.258 4.320 -0.001 0.000 0.209 364 K C 2.533 179.059 176.600 -0.124 0.000 1.048 364 K CA 0.744 56.920 56.287 -0.185 0.000 0.927 364 K CB -0.832 31.513 32.500 -0.257 0.000 0.712 364 K HN 0.178 nan 8.250 nan 0.000 0.441 365 L N 1.097 122.246 121.223 -0.122 0.000 2.012 365 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 365 L C 2.696 179.527 176.870 -0.066 0.000 1.073 365 L CA 1.451 56.239 54.840 -0.088 0.000 0.748 365 L CB -0.541 41.470 42.059 -0.079 0.000 0.891 365 L HN 0.245 nan 8.230 nan 0.000 0.431 366 Q N -0.155 119.607 119.800 -0.063 0.000 2.135 366 Q HA -0.246 4.094 4.340 -0.001 0.000 0.204 366 Q C 2.134 178.109 176.000 -0.041 0.000 0.981 366 Q CA 1.719 57.493 55.803 -0.047 0.000 0.856 366 Q CB -0.099 28.611 28.738 -0.045 0.000 0.902 366 Q HN 0.520 nan 8.270 nan 0.000 0.425 367 E N 0.348 120.520 120.200 -0.046 0.000 2.038 367 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 367 E C 2.036 178.619 176.600 -0.028 0.000 1.000 367 E CA 1.174 57.555 56.400 -0.031 0.000 0.803 367 E CB -0.060 29.622 29.700 -0.031 0.000 0.750 367 E HN 0.272 nan 8.360 nan 0.000 0.448 368 R N 0.534 121.009 120.500 -0.041 0.000 2.096 368 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 368 R C 2.736 179.016 176.300 -0.034 0.000 1.127 368 R CA 1.432 57.507 56.100 -0.042 0.000 0.968 368 R CB -0.752 29.514 30.300 -0.057 0.000 0.861 368 R HN 0.238 nan 8.270 nan 0.000 0.440 369 V N -0.875 119.018 119.914 -0.034 0.000 2.407 369 V HA -0.132 3.988 4.120 -0.001 0.000 0.248 369 V C 2.197 178.280 176.094 -0.019 0.000 1.055 369 V CA 1.928 64.212 62.300 -0.027 0.000 1.049 369 V CB -0.721 31.085 31.823 -0.028 0.000 0.662 369 V HN 0.264 nan 8.190 nan 0.000 0.455 370 A N 0.067 122.877 122.820 -0.017 0.000 1.929 370 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 370 A C 2.283 179.866 177.584 -0.003 0.000 1.176 370 A CA 1.581 53.612 52.037 -0.009 0.000 0.628 370 A CB -0.541 18.455 19.000 -0.007 0.000 0.816 370 A HN 0.587 nan 8.150 nan 0.000 0.444 371 K N -0.746 119.652 120.400 -0.003 0.000 2.209 371 K HA -0.020 4.300 4.320 -0.001 0.000 0.204 371 K C 1.508 178.109 176.600 0.001 0.000 1.048 371 K CA 1.216 57.507 56.287 0.007 0.000 0.940 371 K CB -0.186 32.316 32.500 0.003 0.000 0.729 371 K HN 0.471 nan 8.250 nan 0.000 0.451 372 L N -1.060 120.157 121.223 -0.009 0.000 2.362 372 L HA 0.115 4.454 4.340 -0.001 0.000 0.204 372 L C 1.916 178.781 176.870 -0.008 0.000 1.060 372 L CA 0.300 55.133 54.840 -0.011 0.000 0.827 372 L CB -0.164 41.883 42.059 -0.020 0.000 1.027 372 L HN 0.073 nan 8.230 nan 0.000 0.474 373 A N 0.289 123.104 122.820 -0.009 0.000 3.051 373 A HA 0.292 4.612 4.320 -0.001 0.000 0.187 373 A C 1.709 179.291 177.584 -0.004 0.000 1.690 373 A CA 0.885 52.918 52.037 -0.007 0.000 0.677 373 A CB -1.416 17.578 19.000 -0.009 0.000 1.164 373 A HN 0.263 nan 8.150 nan 0.000 0.473 374 G N -1.626 107.172 108.800 -0.003 0.000 2.961 374 G HA2 0.424 4.384 3.960 -0.001 0.000 0.150 374 G HA3 0.424 4.384 3.960 -0.001 0.000 0.150 374 G C 0.501 175.403 174.900 0.002 0.000 1.864 374 G CA 0.644 45.743 45.100 -0.001 0.000 0.992 374 G HN 1.364 nan 8.290 nan 0.000 0.458 375 G N -2.729 106.073 108.800 0.003 0.000 2.827 375 G HA2 0.513 4.473 3.960 -0.001 0.000 0.296 375 G HA3 0.513 4.473 3.960 -0.001 0.000 0.296 375 G C -2.021 172.883 174.900 0.007 0.000 1.362 375 G CA -0.257 44.848 45.100 0.007 0.000 0.809 375 G HN 0.731 nan 8.290 nan 0.000 0.522 376 V N -0.074 119.846 119.914 0.010 0.000 2.656 376 V HA 0.804 4.924 4.120 -0.001 0.000 0.307 376 V C -0.040 176.060 176.094 0.010 0.000 1.051 376 V CA -0.280 62.026 62.300 0.010 0.000 0.893 376 V CB 1.441 33.273 31.823 0.015 0.000 0.999 376 V HN 1.330 nan 8.190 nan 0.000 0.426 377 A N 4.232 127.057 122.820 0.010 0.000 2.413 377 A HA 0.951 5.271 4.320 -0.001 0.000 0.307 377 A C -1.313 176.278 177.584 0.012 0.000 1.087 377 A CA -0.591 51.452 52.037 0.010 0.000 0.750 377 A CB 2.084 21.090 19.000 0.009 0.000 1.296 377 A HN 0.708 nan 8.150 nan 0.000 0.423 378 V N 2.248 122.169 119.914 0.011 0.000 2.588 378 V HA 0.436 4.556 4.120 -0.001 0.000 0.304 378 V C -0.502 175.600 176.094 0.013 0.000 1.042 378 V CA -0.231 62.077 62.300 0.013 0.000 0.877 378 V CB 1.549 33.378 31.823 0.011 0.000 0.996 378 V HN 0.751 nan 8.190 nan 0.000 0.425 379 I N 4.381 124.961 120.570 0.016 0.000 2.321 379 I HA 0.405 4.575 4.170 -0.001 0.000 0.291 379 I C 0.096 176.221 176.117 0.013 0.000 0.998 379 I CA -0.429 60.880 61.300 0.014 0.000 1.227 379 I CB 1.304 39.314 38.000 0.017 0.000 1.368 379 I HN 0.514 nan 8.210 nan 0.000 0.466 380 K N 6.041 126.447 120.400 0.010 0.000 2.240 380 K HA 0.511 4.830 4.320 -0.001 0.000 0.271 380 K C -1.000 175.604 176.600 0.007 0.000 1.018 380 K CA -0.641 55.651 56.287 0.008 0.000 0.874 380 K CB 2.096 34.600 32.500 0.006 0.000 1.098 380 K HN 0.305 nan 8.250 nan 0.000 0.458 381 V N 2.053 121.971 119.914 0.007 0.000 2.407 381 V HA 0.394 4.514 4.120 -0.001 0.000 0.278 381 V C 0.660 176.757 176.094 0.004 0.000 1.037 381 V CA -0.912 61.392 62.300 0.006 0.000 0.900 381 V CB 1.366 33.193 31.823 0.006 0.000 0.983 381 V HN 0.895 nan 8.190 nan 0.000 0.459 382 G N 2.650 111.452 108.800 0.003 0.000 2.389 382 G HA2 0.794 4.753 3.960 -0.001 0.000 0.328 382 G HA3 0.794 4.753 3.960 -0.001 0.000 0.328 382 G C -0.569 174.332 174.900 0.001 0.000 1.133 382 G CA -0.056 45.045 45.100 0.002 0.000 0.891 382 G HN 1.238 nan 8.290 nan 0.000 0.485 383 A N 0.103 122.923 122.820 0.001 0.000 2.609 383 A HA 0.800 5.119 4.320 -0.001 0.000 0.291 383 A C 0.782 178.366 177.584 -0.000 0.000 1.096 383 A CA 0.288 52.325 52.037 -0.000 0.000 0.684 383 A CB 0.915 19.915 19.000 -0.000 0.000 1.282 383 A HN 1.701 nan 8.150 nan 0.000 0.412 384 A N 0.051 122.870 122.820 -0.001 0.000 1.872 384 A HA 0.308 4.627 4.320 -0.001 0.000 0.214 384 A C 1.600 179.183 177.584 -0.001 0.000 1.187 384 A CA 2.632 54.669 52.037 -0.001 0.000 0.614 384 A CB -0.911 18.088 19.000 -0.002 0.000 0.826 384 A HN 1.720 nan 8.150 nan 0.000 0.442 385 T N -4.588 109.965 114.554 -0.001 0.000 2.861 385 T HA 0.496 4.846 4.350 -0.001 0.000 0.265 385 T C 0.775 175.475 174.700 -0.000 0.000 1.104 385 T CA 0.269 62.368 62.100 -0.001 0.000 0.987 385 T CB 1.007 69.874 68.868 -0.003 0.000 2.051 385 T HN 0.177 nan 8.240 nan 0.000 0.570 386 E N -0.483 119.717 120.200 -0.000 0.000 2.467 386 E HA 0.122 4.472 4.350 -0.001 0.000 0.213 386 E C 2.142 178.743 176.600 0.001 0.000 0.823 386 E CA 0.408 56.809 56.400 0.002 0.000 1.233 386 E CB 0.720 30.422 29.700 0.003 0.000 1.233 386 E HN 0.491 nan 8.360 nan 0.000 0.585 387 V N -0.274 119.638 119.914 -0.002 0.000 2.720 387 V HA -0.143 3.977 4.120 -0.001 0.000 0.256 387 V C 1.941 178.032 176.094 -0.004 0.000 1.082 387 V CA 2.035 64.332 62.300 -0.004 0.000 1.101 387 V CB -0.432 31.386 31.823 -0.008 0.000 0.693 387 V HN 0.151 nan 8.190 nan 0.000 0.479 388 E N -0.222 119.976 120.200 -0.003 0.000 2.102 388 E HA -0.117 4.233 4.350 -0.001 0.000 0.190 388 E C 2.084 178.683 176.600 -0.001 0.000 0.971 388 E CA 0.902 57.301 56.400 -0.003 0.000 0.821 388 E CB -0.094 29.604 29.700 -0.003 0.000 0.777 388 E HN 0.494 nan 8.360 nan 0.000 0.460 389 M N 1.516 121.116 119.600 0.000 0.000 2.082 389 M HA -0.208 4.271 4.480 -0.001 0.000 0.258 389 M C 1.851 178.152 176.300 0.003 0.000 1.069 389 M CA 1.848 57.150 55.300 0.002 0.000 1.102 389 M CB -0.090 32.513 32.600 0.004 0.000 1.336 389 M HN -0.103 nan 8.290 nan 0.000 0.404 390 K N -0.501 119.900 120.400 0.003 0.000 1.985 390 K HA -0.248 4.072 4.320 -0.001 0.000 0.210 390 K C 1.951 178.551 176.600 -0.000 0.000 1.047 390 K CA 2.000 58.289 56.287 0.004 0.000 0.932 390 K CB -0.352 32.152 32.500 0.006 0.000 0.716 390 K HN 0.550 nan 8.250 nan 0.000 0.439 391 E N 1.243 121.441 120.200 -0.003 0.000 2.118 391 E HA -0.261 4.089 4.350 -0.001 0.000 0.195 391 E C 1.817 178.413 176.600 -0.007 0.000 0.992 391 E CA 1.769 58.165 56.400 -0.006 0.000 0.804 391 E CB -0.010 29.686 29.700 -0.007 0.000 0.741 391 E HN 0.084 nan 8.360 nan 0.000 0.458 392 K N 0.916 121.314 120.400 -0.004 0.000 2.007 392 K HA -0.085 4.234 4.320 -0.001 0.000 0.206 392 K C 2.175 178.772 176.600 -0.004 0.000 1.047 392 K CA 1.738 58.022 56.287 -0.004 0.000 0.937 392 K CB -0.225 32.274 32.500 -0.002 0.000 0.718 392 K HN 0.083 nan 8.250 nan 0.000 0.438 393 K N -0.216 120.184 120.400 -0.001 0.000 2.089 393 K HA -0.186 4.134 4.320 -0.001 0.000 0.210 393 K C 1.893 178.489 176.600 -0.006 0.000 1.048 393 K CA 1.540 57.828 56.287 0.001 0.000 0.926 393 K CB -0.308 32.195 32.500 0.005 0.000 0.714 393 K HN 0.293 nan 8.250 nan 0.000 0.448 394 A N 0.801 123.614 122.820 -0.012 0.000 2.019 394 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 394 A C 2.021 179.585 177.584 -0.035 0.000 1.164 394 A CA 1.261 53.283 52.037 -0.025 0.000 0.644 394 A CB -0.272 18.715 19.000 -0.021 0.000 0.805 394 A HN 0.287 nan 8.150 nan 0.000 0.449 395 R N -0.941 119.545 120.500 -0.022 0.000 2.066 395 R HA 0.007 4.347 4.340 -0.001 0.000 0.224 395 R C 2.033 178.322 176.300 -0.019 0.000 1.122 395 R CA 1.176 57.263 56.100 -0.022 0.000 0.974 395 R CB -0.379 29.913 30.300 -0.014 0.000 0.871 395 R HN 0.344 nan 8.270 nan 0.000 0.435 396 V N 1.751 121.661 119.914 -0.008 0.000 2.380 396 V HA -0.272 3.847 4.120 -0.001 0.000 0.251 396 V C 2.195 178.294 176.094 0.008 0.000 1.063 396 V CA 1.749 64.052 62.300 0.004 0.000 1.055 396 V CB -0.484 31.344 31.823 0.009 0.000 0.657 396 V HN 0.311 nan 8.190 nan 0.000 0.455 397 E N 0.177 120.371 120.200 -0.011 0.000 2.058 397 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 397 E C 2.029 178.558 176.600 -0.118 0.000 0.997 397 E CA 1.883 58.264 56.400 -0.032 0.000 0.801 397 E CB -0.372 29.287 29.700 -0.068 0.000 0.746 397 E HN 0.658 nan 8.360 nan 0.000 0.450 398 D N 0.090 120.412 120.400 -0.131 0.000 2.097 398 D HA -0.102 4.537 4.640 -0.001 0.000 0.195 398 D C 1.814 178.088 176.300 -0.043 0.000 0.989 398 D CA 1.653 55.565 54.000 -0.146 0.000 0.827 398 D CB -0.135 40.614 40.800 -0.085 0.000 0.966 398 D HN 0.184 nan 8.370 nan 0.000 0.456 399 A N 0.576 123.395 122.820 -0.002 0.000 1.898 399 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 399 A C 2.063 179.690 177.584 0.072 0.000 1.181 399 A CA 0.696 52.751 52.037 0.030 0.000 0.620 399 A CB -0.718 18.295 19.000 0.021 0.000 0.819 399 A HN 0.291 nan 8.150 nan 0.000 0.442 400 L N -0.668 120.614 121.223 0.099 0.000 2.127 400 L HA -0.208 4.131 4.340 -0.001 0.000 0.211 400 L C 2.127 179.118 176.870 0.201 0.000 1.089 400 L CA 2.384 57.307 54.840 0.139 0.000 0.757 400 L CB -1.096 41.054 42.059 0.152 0.000 0.899 400 L HN 0.517 nan 8.230 nan 0.000 0.434 401 H N -0.728 118.351 119.070 0.014 0.000 2.384 401 H HA 0.140 4.696 4.556 -0.001 0.000 0.300 401 H C 2.187 177.525 175.328 0.016 0.000 1.057 401 H CA 1.139 57.197 56.048 0.016 0.000 1.370 401 H CB -0.264 29.509 29.762 0.019 0.000 1.417 401 H HN 0.361 nan 8.280 nan 0.000 0.527 402 A N 0.504 123.422 122.820 0.163 0.000 1.902 402 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 402 A C 2.502 180.124 177.584 0.063 0.000 1.181 402 A CA 2.465 54.557 52.037 0.091 0.000 0.623 402 A CB -1.154 17.881 19.000 0.058 0.000 0.818 402 A HN 0.605 nan 8.150 nan 0.000 0.443 403 T N -1.619 112.969 114.554 0.057 0.000 2.652 403 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 403 T C 1.917 176.634 174.700 0.029 0.000 1.039 403 T CA 1.212 63.334 62.100 0.037 0.000 1.153 403 T CB -0.514 68.373 68.868 0.032 0.000 0.863 403 T HN 0.446 nan 8.240 nan 0.000 0.428 404 R N 1.701 122.217 120.500 0.027 0.000 2.185 404 R HA -0.025 4.315 4.340 -0.001 0.000 0.247 404 R C 2.761 179.064 176.300 0.006 0.000 1.159 404 R CA 1.456 57.558 56.100 0.002 0.000 0.988 404 R CB -0.953 29.328 30.300 -0.032 0.000 0.871 404 R HN 0.642 nan 8.270 nan 0.000 0.458 405 A N 0.871 123.705 122.820 0.023 0.000 1.903 405 A HA 0.106 4.425 4.320 -0.001 0.000 0.213 405 A C 2.402 179.998 177.584 0.019 0.000 1.185 405 A CA 1.090 53.141 52.037 0.024 0.000 0.628 405 A CB -0.383 18.642 19.000 0.041 0.000 0.830 405 A HN 0.311 nan 8.150 nan 0.000 0.446 406 A N -0.207 122.625 122.820 0.021 0.000 1.892 406 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 406 A C 2.218 179.809 177.584 0.011 0.000 1.188 406 A CA 2.035 54.081 52.037 0.016 0.000 0.631 406 A CB -1.059 17.952 19.000 0.017 0.000 0.822 406 A HN 0.405 nan 8.150 nan 0.000 0.447 407 V N 1.011 120.930 119.914 0.009 0.000 2.343 407 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 407 V C 2.554 178.649 176.094 0.003 0.000 1.051 407 V CA 2.360 64.663 62.300 0.005 0.000 1.036 407 V CB -0.901 30.924 31.823 0.003 0.000 0.654 407 V HN 0.934 nan 8.190 nan 0.000 0.451 408 E N -0.186 120.015 120.200 0.002 0.000 2.371 408 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 408 E C 1.705 178.307 176.600 0.003 0.000 1.012 408 E CA 1.231 57.631 56.400 0.001 0.000 0.860 408 E CB 0.065 29.764 29.700 -0.002 0.000 0.811 408 E HN 0.684 nan 8.360 nan 0.000 0.502 409 E N -0.124 120.079 120.200 0.005 0.000 2.702 409 E HA 0.210 4.560 4.350 -0.001 0.000 0.225 409 E C -0.030 176.574 176.600 0.005 0.000 0.942 409 E CA 0.223 56.625 56.400 0.005 0.000 1.210 409 E CB 1.251 30.954 29.700 0.005 0.000 1.143 409 E HN 0.345 nan 8.360 nan 0.000 0.544 410 G N 0.708 109.512 108.800 0.007 0.000 2.757 410 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.638 410 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.638 410 G C -0.421 174.485 174.900 0.009 0.000 1.344 410 G CA -0.443 44.661 45.100 0.007 0.000 0.855 410 G HN 0.570 nan 8.290 nan 0.000 0.537 411 V N -2.376 117.544 119.914 0.010 0.000 3.074 411 V HA 0.994 5.114 4.120 -0.001 0.000 0.314 411 V C 0.624 176.725 176.094 0.012 0.000 1.117 411 V CA 0.141 62.448 62.300 0.011 0.000 1.014 411 V CB 1.435 33.265 31.823 0.012 0.000 1.057 411 V HN 2.492 nan 8.190 nan 0.000 0.438 412 V N -1.013 118.909 119.914 0.013 0.000 3.167 412 V HA 0.999 5.118 4.120 -0.001 0.000 0.310 412 V C 0.395 176.499 176.094 0.017 0.000 1.207 412 V CA -0.738 61.571 62.300 0.015 0.000 1.059 412 V CB 1.288 33.120 31.823 0.014 0.000 1.079 412 V HN 2.085 nan 8.190 nan 0.000 0.446 413 A N 1.143 123.976 122.820 0.021 0.000 2.522 413 A HA 0.613 4.933 4.320 -0.001 0.000 0.256 413 A C 0.998 178.594 177.584 0.019 0.000 1.086 413 A CA 0.600 52.651 52.037 0.023 0.000 0.763 413 A CB -0.773 18.246 19.000 0.033 0.000 1.024 413 A HN 2.035 nan 8.150 nan 0.000 0.502 414 G N 1.318 110.127 108.800 0.014 0.000 2.527 414 G HA2 0.469 4.429 3.960 -0.001 0.000 0.279 414 G HA3 0.469 4.429 3.960 -0.001 0.000 0.279 414 G C 1.264 176.172 174.900 0.014 0.000 1.374 414 G CA 0.126 45.233 45.100 0.011 0.000 1.053 414 G HN 2.312 nan 8.290 nan 0.000 0.539 415 G N -2.295 106.513 108.800 0.013 0.000 2.153 415 G HA2 0.194 4.154 3.960 -0.001 0.000 0.252 415 G HA3 0.194 4.154 3.960 -0.001 0.000 0.252 415 G C 1.524 176.442 174.900 0.031 0.000 0.994 415 G CA 1.044 46.158 45.100 0.024 0.000 0.698 415 G HN 2.510 nan 8.290 nan 0.000 0.521 416 G N -1.916 106.898 108.800 0.024 0.000 2.296 416 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.282 416 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.282 416 G C 1.700 176.616 174.900 0.027 0.000 1.014 416 G CA 1.831 46.945 45.100 0.024 0.000 0.812 416 G HN 2.131 nan 8.290 nan 0.000 0.508 417 V N -0.852 119.080 119.914 0.030 0.000 2.407 417 V HA 0.273 4.393 4.120 -0.001 0.000 0.245 417 V C 2.870 178.985 176.094 0.034 0.000 1.041 417 V CA 2.122 64.444 62.300 0.037 0.000 1.040 417 V CB -0.493 31.355 31.823 0.042 0.000 0.671 417 V HN 1.342 nan 8.190 nan 0.000 0.455 418 A N 0.449 123.286 122.820 0.029 0.000 1.915 418 A HA -0.252 4.068 4.320 -0.001 0.000 0.220 418 A C 2.163 179.760 177.584 0.021 0.000 1.198 418 A CA 2.624 54.675 52.037 0.024 0.000 0.647 418 A CB -0.934 18.077 19.000 0.019 0.000 0.825 418 A HN 0.560 nan 8.150 nan 0.000 0.456 419 L N -0.145 121.089 121.223 0.019 0.000 2.017 419 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 419 L C 2.420 179.300 176.870 0.018 0.000 1.073 419 L CA 1.347 56.197 54.840 0.015 0.000 0.745 419 L CB -0.592 41.475 42.059 0.013 0.000 0.894 419 L HN 0.395 nan 8.230 nan 0.000 0.432 420 I N -0.862 119.721 120.570 0.023 0.000 2.248 420 I HA -0.303 3.867 4.170 -0.001 0.000 0.248 420 I C 2.471 178.604 176.117 0.027 0.000 1.107 420 I CA 1.087 62.402 61.300 0.026 0.000 1.373 420 I CB -0.775 37.245 38.000 0.033 0.000 1.055 420 I HN 0.331 nan 8.210 nan 0.000 0.418 421 R N 0.479 120.997 120.500 0.031 0.000 2.115 421 R HA -0.066 4.274 4.340 -0.001 0.000 0.226 421 R C 2.300 178.613 176.300 0.021 0.000 1.100 421 R CA 1.197 57.316 56.100 0.031 0.000 0.980 421 R CB -1.082 29.239 30.300 0.036 0.000 0.875 421 R HN 0.475 nan 8.270 nan 0.000 0.445 422 V N -0.641 119.283 119.914 0.017 0.000 2.488 422 V HA 0.043 4.163 4.120 -0.001 0.000 0.246 422 V C 2.189 178.289 176.094 0.010 0.000 1.046 422 V CA 1.593 63.900 62.300 0.012 0.000 1.053 422 V CB -0.706 31.121 31.823 0.007 0.000 0.679 422 V HN 0.159 nan 8.190 nan 0.000 0.458 423 A N 1.772 124.599 122.820 0.011 0.000 1.915 423 A HA -0.263 4.057 4.320 -0.001 0.000 0.220 423 A C 2.565 180.155 177.584 0.011 0.000 1.198 423 A CA 3.352 55.395 52.037 0.010 0.000 0.647 423 A CB -1.295 17.712 19.000 0.011 0.000 0.825 423 A HN 1.059 nan 8.150 nan 0.000 0.456 424 S N -0.774 114.934 115.700 0.014 0.000 2.436 424 S HA -0.050 4.420 4.470 -0.001 0.000 0.228 424 S C 1.721 176.327 174.600 0.010 0.000 1.014 424 S CA 1.203 59.410 58.200 0.012 0.000 0.950 424 S CB -0.181 63.028 63.200 0.015 0.000 0.784 424 S HN 0.553 nan 8.310 nan 0.000 0.504 425 K N 1.207 121.613 120.400 0.010 0.000 2.152 425 K HA 0.128 4.448 4.320 -0.001 0.000 0.206 425 K C 1.258 177.862 176.600 0.006 0.000 1.048 425 K CA 1.071 57.363 56.287 0.008 0.000 0.933 425 K CB -0.333 32.172 32.500 0.008 0.000 0.721 425 K HN 0.402 nan 8.250 nan 0.000 0.447 426 L N -0.287 120.940 121.223 0.006 0.000 2.685 426 L HA 0.216 4.556 4.340 -0.001 0.000 0.233 426 L C 1.648 178.520 176.870 0.004 0.000 1.173 426 L CA -0.266 54.576 54.840 0.004 0.000 0.961 426 L CB 0.028 42.089 42.059 0.003 0.000 1.217 426 L HN 0.108 nan 8.230 nan 0.000 0.478 427 A N 0.063 122.886 122.820 0.004 0.000 1.978 427 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 427 A C 1.525 179.111 177.584 0.003 0.000 1.170 427 A CA 1.674 53.713 52.037 0.004 0.000 0.636 427 A CB -0.196 18.807 19.000 0.004 0.000 0.810 427 A HN 0.353 nan 8.150 nan 0.000 0.448 428 D N -0.876 119.525 120.400 0.003 0.000 2.342 428 D HA 0.187 4.827 4.640 -0.001 0.000 0.221 428 D C -0.229 176.072 176.300 0.002 0.000 1.101 428 D CA -0.223 53.778 54.000 0.002 0.000 0.837 428 D CB 0.069 40.870 40.800 0.002 0.000 0.938 428 D HN 0.244 nan 8.370 nan 0.000 0.508 429 L N 1.805 123.030 121.223 0.002 0.000 2.410 429 L HA 0.158 4.498 4.340 -0.001 0.000 0.273 429 L C 0.417 177.288 176.870 0.002 0.000 1.144 429 L CA 0.397 55.238 54.840 0.002 0.000 0.863 429 L CB 0.074 42.134 42.059 0.002 0.000 1.140 429 L HN -0.187 nan 8.230 nan 0.000 0.463 430 R N 2.669 123.170 120.500 0.002 0.000 2.939 430 R HA 0.743 5.083 4.340 -0.001 0.000 0.254 430 R C -0.161 176.140 176.300 0.002 0.000 1.123 430 R CA -0.512 55.589 56.100 0.002 0.000 1.020 430 R CB 1.424 31.725 30.300 0.001 0.000 1.206 430 R HN 0.782 nan 8.270 nan 0.000 0.491 431 G N -0.400 108.401 108.800 0.002 0.000 2.990 431 G HA2 0.195 4.155 3.960 -0.001 0.000 0.208 431 G HA3 0.195 4.155 3.960 -0.001 0.000 0.208 431 G C -0.097 174.804 174.900 0.002 0.000 1.334 431 G CA -0.322 44.780 45.100 0.002 0.000 1.024 431 G HN 0.440 nan 8.290 nan 0.000 0.574 432 Q N 0.075 119.876 119.800 0.002 0.000 2.403 432 Q HA 0.188 4.528 4.340 -0.001 0.000 0.203 432 Q C 0.396 176.397 176.000 0.002 0.000 0.932 432 Q CA 0.210 56.014 55.803 0.002 0.000 0.945 432 Q CB 0.110 28.849 28.738 0.003 0.000 1.045 432 Q HN 0.565 nan 8.270 nan 0.000 0.511 433 N N -1.515 117.186 118.700 0.002 0.000 3.261 433 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 433 N C 0.046 175.557 175.510 0.002 0.000 1.498 433 N CA -0.327 52.725 53.050 0.002 0.000 0.884 433 N CB 0.849 39.337 38.487 0.002 0.000 1.428 433 N HN -0.170 nan 8.380 nan 0.000 0.517 434 E N 0.213 120.414 120.200 0.002 0.000 2.072 434 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 434 E C 0.618 177.219 176.600 0.002 0.000 0.985 434 E CA 1.802 58.203 56.400 0.002 0.000 0.801 434 E CB -0.347 29.354 29.700 0.001 0.000 0.750 434 E HN 0.529 nan 8.360 nan 0.000 0.452 435 D N 0.306 120.708 120.400 0.003 0.000 2.123 435 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 435 D C 1.922 178.224 176.300 0.004 0.000 0.992 435 D CA 1.035 55.037 54.000 0.003 0.000 0.833 435 D CB -0.297 40.505 40.800 0.004 0.000 0.954 435 D HN 0.367 nan 8.370 nan 0.000 0.455 436 Q N 0.080 119.882 119.800 0.004 0.000 2.152 436 Q HA -0.151 4.189 4.340 -0.001 0.000 0.206 436 Q C 1.751 177.753 176.000 0.004 0.000 0.985 436 Q CA 0.967 56.772 55.803 0.004 0.000 0.863 436 Q CB -0.041 28.699 28.738 0.004 0.000 0.904 436 Q HN 0.262 nan 8.270 nan 0.000 0.422 437 N N -0.275 118.427 118.700 0.003 0.000 2.216 437 N HA -0.099 4.640 4.740 -0.001 0.000 0.183 437 N C 1.776 177.288 175.510 0.003 0.000 1.017 437 N CA 0.871 53.922 53.050 0.003 0.000 0.861 437 N CB -0.265 38.223 38.487 0.002 0.000 0.986 437 N HN 0.036 nan 8.380 nan 0.000 0.428 438 V N 0.680 120.596 119.914 0.003 0.000 2.407 438 V HA -0.117 4.003 4.120 -0.001 0.000 0.248 438 V C 2.346 178.442 176.094 0.004 0.000 1.055 438 V CA 1.922 64.224 62.300 0.003 0.000 1.049 438 V CB -1.176 30.649 31.823 0.003 0.000 0.662 438 V HN 0.345 nan 8.190 nan 0.000 0.455 439 G N -0.259 108.544 108.800 0.005 0.000 2.432 439 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.219 439 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.219 439 G C 1.554 176.457 174.900 0.005 0.000 1.135 439 G CA 0.839 45.943 45.100 0.006 0.000 0.767 439 G HN 0.485 nan 8.290 nan 0.000 0.550 440 I N -0.072 120.501 120.570 0.004 0.000 2.133 440 I HA -0.076 4.093 4.170 -0.001 0.000 0.238 440 I C 2.711 178.830 176.117 0.004 0.000 1.074 440 I CA 1.037 62.339 61.300 0.004 0.000 1.342 440 I CB -0.115 37.887 38.000 0.003 0.000 1.053 440 I HN -0.014 nan 8.210 nan 0.000 0.404 441 K N 0.601 121.004 120.400 0.004 0.000 2.218 441 K HA -0.128 4.191 4.320 -0.001 0.000 0.205 441 K C 1.862 178.465 176.600 0.005 0.000 1.046 441 K CA 0.949 57.239 56.287 0.004 0.000 0.933 441 K CB -0.538 31.964 32.500 0.003 0.000 0.728 441 K HN 0.127 nan 8.250 nan 0.000 0.454 442 V N 0.137 120.054 119.914 0.005 0.000 2.407 442 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 442 V C 2.108 178.206 176.094 0.007 0.000 1.055 442 V CA 1.957 64.261 62.300 0.006 0.000 1.049 442 V CB -0.532 31.295 31.823 0.006 0.000 0.662 442 V HN 0.390 nan 8.190 nan 0.000 0.455 443 A N -0.292 122.532 122.820 0.006 0.000 1.872 443 A HA -0.067 4.252 4.320 -0.001 0.000 0.214 443 A C 2.157 179.744 177.584 0.006 0.000 1.187 443 A CA 1.383 53.424 52.037 0.006 0.000 0.614 443 A CB -0.440 18.563 19.000 0.005 0.000 0.826 443 A HN 0.482 nan 8.150 nan 0.000 0.442 444 L N -1.033 120.193 121.223 0.005 0.000 1.989 444 L HA -0.204 4.135 4.340 -0.001 0.000 0.211 444 L C 2.746 179.620 176.870 0.007 0.000 1.071 444 L CA 1.929 56.772 54.840 0.006 0.000 0.749 444 L CB -0.558 41.505 42.059 0.006 0.000 0.890 444 L HN 0.356 nan 8.230 nan 0.000 0.431 445 R N -0.013 120.491 120.500 0.006 0.000 2.200 445 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 445 R C 2.051 178.355 176.300 0.007 0.000 1.127 445 R CA 1.196 57.299 56.100 0.006 0.000 0.989 445 R CB -0.123 30.180 30.300 0.005 0.000 0.869 445 R HN 0.416 nan 8.270 nan 0.000 0.459 446 A N -0.661 122.164 122.820 0.007 0.000 2.195 446 A HA 0.051 4.370 4.320 -0.001 0.000 0.210 446 A C 1.785 179.374 177.584 0.009 0.000 1.165 446 A CA 0.074 52.116 52.037 0.009 0.000 0.806 446 A CB -0.019 18.987 19.000 0.010 0.000 0.847 446 A HN 0.245 nan 8.150 nan 0.000 0.482 447 M N -0.390 119.215 119.600 0.009 0.000 2.460 447 M HA -0.090 4.389 4.480 -0.001 0.000 0.263 447 M C 1.447 177.753 176.300 0.011 0.000 1.071 447 M CA 1.024 56.330 55.300 0.010 0.000 1.096 447 M CB -0.073 32.532 32.600 0.009 0.000 1.408 447 M HN 0.452 nan 8.290 nan 0.000 0.463 448 E N -0.249 119.957 120.200 0.010 0.000 2.427 448 E HA -0.035 4.315 4.350 -0.001 0.000 0.196 448 E C 1.946 178.551 176.600 0.009 0.000 1.028 448 E CA 0.521 56.927 56.400 0.010 0.000 0.864 448 E CB 0.056 29.760 29.700 0.007 0.000 0.813 448 E HN 0.497 nan 8.360 nan 0.000 0.514 449 A N 2.248 125.073 122.820 0.009 0.000 1.902 449 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 449 A C -0.357 177.233 177.584 0.010 0.000 1.181 449 A CA 1.046 53.088 52.037 0.008 0.000 0.623 449 A CB -1.302 17.704 19.000 0.009 0.000 0.818 449 A HN 0.141 nan 8.150 nan 0.000 0.443 450 P HA -0.177 nan 4.420 nan 0.000 0.215 450 P C 1.794 179.103 177.300 0.015 0.000 1.157 450 P CA 0.800 63.909 63.100 0.015 0.000 0.868 450 P CB -0.179 31.531 31.700 0.017 0.000 0.788 451 L N -0.045 121.187 121.223 0.016 0.000 2.079 451 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 451 L C 2.049 178.922 176.870 0.004 0.000 1.081 451 L CA 2.104 56.955 54.840 0.018 0.000 0.752 451 L CB -0.811 41.260 42.059 0.020 0.000 0.896 451 L HN -0.023 nan 8.230 nan 0.000 0.433 452 R N -1.130 119.369 120.500 -0.001 0.000 2.189 452 R HA -0.098 4.241 4.340 -0.001 0.000 0.218 452 R C 2.116 178.411 176.300 -0.009 0.000 1.074 452 R CA 0.682 56.775 56.100 -0.012 0.000 0.991 452 R CB -0.002 30.293 30.300 -0.009 0.000 0.883 452 R HN 0.466 nan 8.270 nan 0.000 0.457 453 Q N 0.277 120.078 119.800 0.001 0.000 2.250 453 Q HA 0.080 4.419 4.340 -0.001 0.000 0.200 453 Q C 2.095 178.100 176.000 0.008 0.000 0.941 453 Q CA 0.768 56.573 55.803 0.004 0.000 0.872 453 Q CB 0.322 29.064 28.738 0.007 0.000 0.965 453 Q HN 0.375 nan 8.270 nan 0.000 0.480 454 I N -0.053 120.526 120.570 0.015 0.000 2.179 454 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 454 I C 2.190 178.327 176.117 0.033 0.000 1.088 454 I CA 0.822 62.138 61.300 0.028 0.000 1.357 454 I CB -0.209 37.815 38.000 0.041 0.000 1.051 454 I HN -0.053 nan 8.210 nan 0.000 0.409 455 V N 0.722 120.645 119.914 0.015 0.000 2.490 455 V HA -0.259 3.861 4.120 -0.001 0.000 0.250 455 V C 2.287 178.374 176.094 -0.013 0.000 1.061 455 V CA 1.587 63.878 62.300 -0.016 0.000 1.064 455 V CB -0.364 31.397 31.823 -0.103 0.000 0.670 455 V HN 0.376 nan 8.190 nan 0.000 0.461 456 L N 0.029 121.247 121.223 -0.009 0.000 2.179 456 L HA -0.001 4.339 4.340 -0.001 0.000 0.208 456 L C 1.905 178.775 176.870 -0.000 0.000 1.096 456 L CA 1.735 56.570 54.840 -0.008 0.000 0.779 456 L CB -0.610 41.445 42.059 -0.007 0.000 0.922 456 L HN 0.341 nan 8.230 nan 0.000 0.443 457 N N -1.842 116.862 118.700 0.006 0.000 2.550 457 N HA -0.115 4.624 4.740 -0.001 0.000 0.186 457 N C 1.061 176.578 175.510 0.012 0.000 1.110 457 N CA 0.759 53.814 53.050 0.008 0.000 0.912 457 N CB -0.102 38.390 38.487 0.009 0.000 0.968 457 N HN 0.399 nan 8.380 nan 0.000 0.448 458 C N -0.075 119.236 119.300 0.018 0.000 2.673 458 C HA 0.316 4.776 4.460 -0.001 0.000 0.274 458 C C 1.702 176.702 174.990 0.016 0.000 1.276 458 C CA -0.248 58.785 59.018 0.024 0.000 1.701 458 C CB -0.999 26.772 27.740 0.052 0.000 1.836 458 C HN 0.598 nan 8.230 nan 0.000 0.596 459 G N 1.482 110.286 108.800 0.007 0.000 2.153 459 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.252 459 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.252 459 G C -0.273 174.627 174.900 0.000 0.000 0.994 459 G CA 0.258 45.360 45.100 0.004 0.000 0.698 459 G HN 0.640 nan 8.290 nan 0.000 0.521 460 E N 0.029 120.225 120.200 -0.007 0.000 2.249 460 E HA 0.428 4.778 4.350 -0.001 0.000 0.263 460 E C -0.145 176.432 176.600 -0.038 0.000 0.950 460 E CA -0.898 55.489 56.400 -0.022 0.000 0.827 460 E CB 0.945 30.627 29.700 -0.031 0.000 1.220 460 E HN 0.363 nan 8.360 nan 0.000 0.411 461 E N 2.064 122.239 120.200 -0.042 0.000 2.220 461 E HA 0.041 4.390 4.350 -0.001 0.000 0.272 461 E C -1.967 174.597 176.600 -0.059 0.000 1.099 461 E CA -1.369 55.007 56.400 -0.039 0.000 0.907 461 E CB 0.757 30.441 29.700 -0.027 0.000 1.022 461 E HN 0.277 nan 8.360 nan 0.000 0.428 462 P HA -0.107 nan 4.420 nan 0.000 0.217 462 P C 1.375 178.645 177.300 -0.050 0.000 1.154 462 P CA 0.759 63.824 63.100 -0.058 0.000 0.841 462 P CB 0.239 31.917 31.700 -0.036 0.000 0.790 463 S N -0.059 115.622 115.700 -0.032 0.000 2.370 463 S HA -0.150 4.319 4.470 -0.001 0.000 0.226 463 S C 2.078 176.662 174.600 -0.028 0.000 1.033 463 S CA 1.497 59.683 58.200 -0.024 0.000 1.011 463 S CB -1.930 61.261 63.200 -0.016 0.000 0.852 463 S HN -0.069 nan 8.310 nan 0.000 0.457 464 V N 1.731 121.627 119.914 -0.031 0.000 2.287 464 V HA -0.162 3.958 4.120 -0.001 0.000 0.248 464 V C 2.583 178.659 176.094 -0.030 0.000 1.053 464 V CA 1.693 63.978 62.300 -0.025 0.000 1.027 464 V CB -0.822 30.992 31.823 -0.015 0.000 0.646 464 V HN 0.417 nan 8.190 nan 0.000 0.447 465 V N 0.084 119.955 119.914 -0.073 0.000 2.261 465 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 465 V C 2.702 178.776 176.094 -0.034 0.000 1.047 465 V CA 2.163 64.404 62.300 -0.098 0.000 1.015 465 V CB -1.140 30.463 31.823 -0.367 0.000 0.642 465 V HN 0.572 nan 8.190 nan 0.000 0.446 466 A N 0.316 123.111 122.820 -0.042 0.000 1.865 466 A HA -0.292 4.028 4.320 -0.001 0.000 0.217 466 A C 2.038 179.620 177.584 -0.003 0.000 1.191 466 A CA 2.290 54.320 52.037 -0.012 0.000 0.623 466 A CB -0.901 18.092 19.000 -0.012 0.000 0.826 466 A HN 0.595 nan 8.150 nan 0.000 0.444 467 N N -0.149 118.545 118.700 -0.010 0.000 2.049 467 N HA -0.194 4.546 4.740 -0.001 0.000 0.198 467 N C 1.967 177.470 175.510 -0.012 0.000 1.030 467 N CA 2.606 55.651 53.050 -0.009 0.000 0.870 467 N CB -1.009 37.470 38.487 -0.013 0.000 1.045 467 N HN 0.736 nan 8.380 nan 0.000 0.434 468 T N -1.845 112.686 114.554 -0.039 0.000 2.951 468 T HA 0.024 4.374 4.350 -0.001 0.000 0.268 468 T C 1.960 176.646 174.700 -0.023 0.000 1.073 468 T CA 0.814 62.861 62.100 -0.088 0.000 1.134 468 T CB -0.476 68.239 68.868 -0.256 0.000 0.884 468 T HN -0.036 nan 8.240 nan 0.000 0.479 469 V N 1.620 121.543 119.914 0.015 0.000 2.453 469 V HA -0.036 4.083 4.120 -0.001 0.000 0.247 469 V C 2.652 178.820 176.094 0.124 0.000 1.048 469 V CA 1.616 63.959 62.300 0.071 0.000 1.049 469 V CB -0.484 31.370 31.823 0.052 0.000 0.672 469 V HN 0.533 nan 8.190 nan 0.000 0.457 470 K N 0.486 120.928 120.400 0.070 0.000 2.365 470 K HA 0.006 4.325 4.320 -0.001 0.000 0.199 470 K C 2.175 178.809 176.600 0.056 0.000 1.045 470 K CA 0.964 57.287 56.287 0.060 0.000 0.962 470 K CB -0.411 32.108 32.500 0.032 0.000 0.759 470 K HN 0.536 nan 8.250 nan 0.000 0.469 471 G N 1.578 110.411 108.800 0.054 0.000 2.462 471 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.220 471 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.220 471 G C 0.800 175.709 174.900 0.016 0.000 1.121 471 G CA 0.866 45.982 45.100 0.025 0.000 0.758 471 G HN 0.385 nan 8.290 nan 0.000 0.559 472 G N -1.123 107.732 108.800 0.091 0.000 2.606 472 G HA2 0.523 4.482 3.960 -0.001 0.000 0.262 472 G HA3 0.523 4.482 3.960 -0.001 0.000 0.262 472 G C -1.071 173.855 174.900 0.045 0.000 1.394 472 G CA -0.437 44.664 45.100 0.003 0.000 1.044 472 G HN 0.127 nan 8.290 nan 0.000 0.553 473 D N -2.061 118.355 120.400 0.026 0.000 2.566 473 D HA 0.522 5.162 4.640 -0.001 0.000 0.254 473 D C 1.008 177.359 176.300 0.086 0.000 1.090 473 D CA 0.562 54.589 54.000 0.045 0.000 1.034 473 D CB 1.492 42.291 40.800 -0.001 0.000 1.434 473 D HN 0.818 nan 8.370 nan 0.000 0.509 474 G N 1.118 109.956 108.800 0.062 0.000 2.685 474 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.329 474 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.329 474 G C 0.293 175.248 174.900 0.091 0.000 1.271 474 G CA 0.646 45.784 45.100 0.062 0.000 1.003 474 G HN 0.647 nan 8.290 nan 0.000 0.549 475 N N 0.044 118.804 118.700 0.100 0.000 2.327 475 N HA 0.311 5.050 4.740 -0.001 0.000 0.231 475 N C -0.229 175.378 175.510 0.163 0.000 1.130 475 N CA -0.270 52.843 53.050 0.105 0.000 0.845 475 N CB 0.250 38.781 38.487 0.074 0.000 1.073 475 N HN 0.446 nan 8.380 nan 0.000 0.496 476 Y N 1.137 121.465 120.300 0.046 0.000 2.319 476 Y HA 0.498 5.048 4.550 -0.001 0.000 0.328 476 Y C 0.581 176.542 175.900 0.100 0.000 1.133 476 Y CA -0.086 58.055 58.100 0.069 0.000 1.265 476 Y CB 0.550 39.044 38.460 0.056 0.000 1.218 476 Y HN 0.032 nan 8.280 nan 0.000 0.508 477 G N 3.738 112.387 108.800 -0.252 0.000 2.619 477 G HA2 0.296 4.256 3.960 -0.001 0.000 0.305 477 G HA3 0.296 4.256 3.960 -0.001 0.000 0.305 477 G C -2.525 172.296 174.900 -0.132 0.000 1.330 477 G CA -0.875 44.119 45.100 -0.178 0.000 0.789 477 G HN 0.564 nan 8.290 nan 0.000 0.487 478 Y N 1.352 121.556 120.300 -0.161 0.000 2.341 478 Y HA 0.637 5.187 4.550 -0.001 0.000 0.338 478 Y C -0.460 175.315 175.900 -0.210 0.000 0.965 478 Y CA -1.468 56.475 58.100 -0.262 0.000 1.108 478 Y CB 1.850 40.174 38.460 -0.226 0.000 1.180 478 Y HN 0.453 nan 8.280 nan 0.000 0.458 479 N N 4.882 123.117 118.700 -0.775 0.000 2.500 479 N HA 0.241 4.981 4.740 -0.001 0.000 0.236 479 N C 0.340 175.371 175.510 -0.800 0.000 1.022 479 N CA 0.485 53.209 53.050 -0.543 0.000 0.935 479 N CB 1.394 39.672 38.487 -0.348 0.000 1.147 479 N HN 0.903 nan 8.380 nan 0.000 0.512 480 A N 3.835 126.361 122.820 -0.489 0.000 1.972 480 A HA -0.047 4.273 4.320 -0.001 0.000 0.219 480 A C 2.064 179.529 177.584 -0.200 0.000 1.169 480 A CA 1.719 53.598 52.037 -0.264 0.000 0.635 480 A CB -0.619 18.386 19.000 0.008 0.000 0.810 480 A HN 0.723 nan 8.150 nan 0.000 0.446 481 A N -0.356 122.356 122.820 -0.180 0.000 1.858 481 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 481 A C 2.409 179.912 177.584 -0.134 0.000 1.190 481 A CA 2.516 54.481 52.037 -0.119 0.000 0.617 481 A CB -1.159 17.786 19.000 -0.092 0.000 0.827 481 A HN 0.830 nan 8.150 nan 0.000 0.443 482 T N -4.338 110.102 114.554 -0.189 0.000 3.065 482 T HA 0.236 4.586 4.350 -0.001 0.000 0.252 482 T C 0.429 175.008 174.700 -0.201 0.000 1.099 482 T CA 0.905 62.908 62.100 -0.163 0.000 1.063 482 T CB -0.166 68.615 68.868 -0.145 0.000 0.948 482 T HN 0.557 nan 8.240 nan 0.000 0.506 483 E N 1.189 121.188 120.200 -0.334 0.000 2.868 483 E HA -0.156 4.193 4.350 -0.001 0.000 0.278 483 E C -0.259 176.152 176.600 -0.315 0.000 1.009 483 E CA 0.889 57.106 56.400 -0.306 0.000 0.856 483 E CB -1.232 28.422 29.700 -0.076 0.000 1.428 483 E HN 0.967 nan 8.360 nan 0.000 0.423 484 E N -0.934 118.994 120.200 -0.452 0.000 2.393 484 E HA 0.477 4.827 4.350 -0.001 0.000 0.273 484 E C -0.653 175.685 176.600 -0.437 0.000 0.918 484 E CA -0.966 55.233 56.400 -0.334 0.000 0.773 484 E CB 0.954 30.602 29.700 -0.087 0.000 1.275 484 E HN 0.037 nan 8.360 nan 0.000 0.451 485 Y N 0.152 120.440 120.300 -0.020 0.000 2.299 485 Y HA 0.605 5.155 4.550 -0.000 0.000 0.335 485 Y C 1.150 177.041 175.900 -0.015 0.000 1.287 485 Y CA 1.079 59.133 58.100 -0.076 0.000 1.424 485 Y CB 1.488 39.929 38.460 -0.032 0.000 1.326 485 Y HN 0.865 nan 8.280 nan 0.000 0.567 486 G N 0.400 109.267 108.800 0.113 0.000 2.327 486 G HA2 0.004 3.964 3.960 -0.001 0.000 0.291 486 G HA3 0.004 3.964 3.960 -0.001 0.000 0.291 486 G C -2.020 172.995 174.900 0.191 0.000 1.290 486 G CA -1.198 44.027 45.100 0.208 0.000 0.857 486 G HN 0.585 nan 8.290 nan 0.000 0.520 487 N N 0.937 119.734 118.700 0.161 0.000 2.408 487 N HA 0.151 4.891 4.740 -0.001 0.000 0.257 487 N C 1.737 177.286 175.510 0.065 0.000 1.064 487 N CA -0.565 52.565 53.050 0.134 0.000 0.952 487 N CB 0.871 39.423 38.487 0.108 0.000 1.093 487 N HN 0.417 nan 8.380 nan 0.000 0.490 488 M N 3.432 123.063 119.600 0.051 0.000 2.108 488 M HA -0.169 4.311 4.480 -0.001 0.000 0.261 488 M C 1.634 177.944 176.300 0.016 0.000 1.066 488 M CA 1.149 56.460 55.300 0.018 0.000 1.107 488 M CB -0.707 31.901 32.600 0.013 0.000 1.356 488 M HN 0.523 nan 8.290 nan 0.000 0.406 489 I N 0.735 121.320 120.570 0.026 0.000 2.286 489 I HA -0.260 3.909 4.170 -0.001 0.000 0.248 489 I C 1.867 177.994 176.117 0.016 0.000 1.115 489 I CA 1.446 62.758 61.300 0.020 0.000 1.392 489 I CB -1.584 36.430 38.000 0.024 0.000 1.065 489 I HN 0.262 nan 8.210 nan 0.000 0.418 490 D N 0.635 121.049 120.400 0.022 0.000 2.178 490 D HA -0.096 4.544 4.640 -0.001 0.000 0.202 490 D C 2.126 178.431 176.300 0.009 0.000 0.974 490 D CA 0.966 54.977 54.000 0.018 0.000 0.841 490 D CB -0.056 40.761 40.800 0.027 0.000 0.953 490 D HN 0.382 nan 8.370 nan 0.000 0.478 491 M N -0.729 118.873 119.600 0.003 0.000 2.563 491 M HA 0.209 4.689 4.480 -0.001 0.000 0.231 491 M C 1.100 177.391 176.300 -0.015 0.000 1.136 491 M CA 0.381 55.673 55.300 -0.012 0.000 1.026 491 M CB 0.418 33.001 32.600 -0.029 0.000 1.597 491 M HN -0.033 nan 8.290 nan 0.000 0.495 492 G N 2.300 111.097 108.800 -0.006 0.000 2.179 492 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.257 492 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.257 492 G C 0.102 174.997 174.900 -0.009 0.000 1.010 492 G CA -0.108 44.989 45.100 -0.005 0.000 0.736 492 G HN 0.589 nan 8.290 nan 0.000 0.513 493 I N 1.522 122.085 120.570 -0.012 0.000 2.206 493 I HA 0.290 4.460 4.170 -0.001 0.000 0.292 493 I C 0.735 176.851 176.117 -0.002 0.000 1.156 493 I CA -0.247 61.045 61.300 -0.013 0.000 1.356 493 I CB -0.073 37.912 38.000 -0.025 0.000 1.494 493 I HN 0.046 nan 8.210 nan 0.000 0.601 494 L N 3.612 124.836 121.223 0.002 0.000 2.325 494 L HA 0.561 4.900 4.340 -0.001 0.000 0.279 494 L C -0.363 176.512 176.870 0.009 0.000 1.054 494 L CA -0.816 54.028 54.840 0.007 0.000 0.804 494 L CB 1.048 43.112 42.059 0.009 0.000 1.200 494 L HN 0.278 nan 8.230 nan 0.000 0.436 495 D N 1.556 121.964 120.400 0.012 0.000 2.269 495 D HA 0.445 5.084 4.640 -0.001 0.000 0.244 495 D C -2.534 173.776 176.300 0.016 0.000 0.992 495 D CA -1.493 52.516 54.000 0.015 0.000 0.894 495 D CB 2.087 42.896 40.800 0.015 0.000 1.248 495 D HN 0.209 nan 8.370 nan 0.000 0.468 496 P HA 0.189 nan 4.420 nan 0.000 0.279 496 P C 0.606 177.916 177.300 0.016 0.000 1.239 496 P CA -0.265 62.847 63.100 0.019 0.000 0.789 496 P CB 0.855 32.570 31.700 0.026 0.000 0.933 497 T N 1.807 116.368 114.554 0.012 0.000 2.643 497 T HA -0.200 4.149 4.350 -0.001 0.000 0.264 497 T C 1.642 176.344 174.700 0.004 0.000 1.045 497 T CA 1.448 63.552 62.100 0.006 0.000 1.155 497 T CB -0.540 68.330 68.868 0.003 0.000 0.863 497 T HN 0.484 nan 8.240 nan 0.000 0.420 498 K N 0.955 121.358 120.400 0.006 0.000 2.107 498 K HA -0.192 4.127 4.320 -0.001 0.000 0.211 498 K C 2.339 178.948 176.600 0.014 0.000 1.049 498 K CA 1.817 58.108 56.287 0.007 0.000 0.927 498 K CB -0.574 31.936 32.500 0.018 0.000 0.714 498 K HN 0.298 nan 8.250 nan 0.000 0.452 499 V N -0.136 119.794 119.914 0.027 0.000 2.261 499 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 499 V C 1.785 177.891 176.094 0.020 0.000 1.047 499 V CA 2.556 64.877 62.300 0.035 0.000 1.015 499 V CB -0.864 30.987 31.823 0.047 0.000 0.642 499 V HN 0.447 nan 8.190 nan 0.000 0.446 500 T N 0.450 115.010 114.554 0.011 0.000 2.759 500 T HA -0.163 4.187 4.350 -0.001 0.000 0.269 500 T C 2.055 176.747 174.700 -0.013 0.000 1.042 500 T CA 1.904 64.007 62.100 0.004 0.000 1.140 500 T CB -0.431 68.440 68.868 0.005 0.000 0.864 500 T HN 0.493 nan 8.240 nan 0.000 0.455 501 R N 0.900 121.384 120.500 -0.027 0.000 2.070 501 R HA -0.070 4.269 4.340 -0.001 0.000 0.233 501 R C 2.595 178.826 176.300 -0.115 0.000 1.137 501 R CA 1.767 57.831 56.100 -0.059 0.000 0.945 501 R CB -0.660 29.607 30.300 -0.055 0.000 0.845 501 R HN 0.291 nan 8.270 nan 0.000 0.430 502 S N 0.583 116.216 115.700 -0.112 0.000 2.368 502 S HA -0.097 4.372 4.470 -0.001 0.000 0.224 502 S C 2.025 176.537 174.600 -0.146 0.000 1.029 502 S CA 1.086 59.151 58.200 -0.224 0.000 0.988 502 S CB -0.280 62.901 63.200 -0.031 0.000 0.838 502 S HN 0.551 nan 8.310 nan 0.000 0.462 503 A N 1.945 124.769 122.820 0.007 0.000 1.884 503 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 503 A C 2.121 179.709 177.584 0.008 0.000 1.197 503 A CA 1.637 53.708 52.037 0.055 0.000 0.637 503 A CB -0.984 18.041 19.000 0.043 0.000 0.827 503 A HN 0.468 nan 8.150 nan 0.000 0.450 504 L N -0.790 120.408 121.223 -0.042 0.000 2.027 504 L HA -0.226 4.114 4.340 -0.001 0.000 0.206 504 L C 2.770 179.599 176.870 -0.068 0.000 1.074 504 L CA 2.246 57.063 54.840 -0.038 0.000 0.745 504 L CB -0.802 41.233 42.059 -0.039 0.000 0.898 504 L HN 0.573 nan 8.230 nan 0.000 0.433 505 Q N -1.015 118.682 119.800 -0.173 0.000 2.061 505 Q HA -0.256 4.084 4.340 -0.001 0.000 0.204 505 Q C 2.065 177.992 176.000 -0.122 0.000 0.984 505 Q CA 2.025 57.704 55.803 -0.207 0.000 0.846 505 Q CB -0.304 28.222 28.738 -0.355 0.000 0.902 505 Q HN 0.474 nan 8.270 nan 0.000 0.421 506 Y N 0.202 120.509 120.300 0.013 0.000 2.181 506 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 506 Y C 2.409 178.317 175.900 0.012 0.000 1.146 506 Y CA 0.779 58.887 58.100 0.013 0.000 1.164 506 Y CB -1.031 37.438 38.460 0.014 0.000 0.982 506 Y HN 0.142 nan 8.280 nan 0.000 0.515 507 A N 0.150 123.070 122.820 0.167 0.000 1.877 507 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 507 A C 2.528 180.155 177.584 0.072 0.000 1.186 507 A CA 2.084 54.180 52.037 0.098 0.000 0.620 507 A CB -1.296 17.744 19.000 0.066 0.000 0.822 507 A HN 0.383 nan 8.150 nan 0.000 0.443 508 A N -0.850 122.001 122.820 0.051 0.000 1.940 508 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 508 A C 2.482 180.093 177.584 0.045 0.000 1.176 508 A CA 2.307 54.364 52.037 0.034 0.000 0.631 508 A CB -0.951 18.058 19.000 0.015 0.000 0.814 508 A HN 0.572 nan 8.150 nan 0.000 0.446 509 S N -0.824 114.916 115.700 0.068 0.000 2.348 509 S HA -0.122 4.347 4.470 -0.001 0.000 0.221 509 S C 1.941 176.579 174.600 0.064 0.000 1.033 509 S CA 1.674 59.917 58.200 0.073 0.000 1.010 509 S CB -0.511 62.758 63.200 0.116 0.000 0.891 509 S HN 0.304 nan 8.310 nan 0.000 0.442 510 V N 2.238 122.195 119.914 0.071 0.000 2.237 510 V HA -0.104 4.015 4.120 -0.001 0.000 0.245 510 V C 2.897 179.015 176.094 0.040 0.000 1.046 510 V CA 1.857 64.186 62.300 0.050 0.000 1.007 510 V CB -1.420 30.430 31.823 0.046 0.000 0.638 510 V HN 0.612 nan 8.190 nan 0.000 0.445 511 A N 0.452 123.295 122.820 0.039 0.000 2.024 511 A HA -0.114 4.206 4.320 -0.001 0.000 0.220 511 A C 2.356 179.955 177.584 0.026 0.000 1.164 511 A CA 1.899 53.954 52.037 0.030 0.000 0.643 511 A CB -1.177 17.840 19.000 0.028 0.000 0.806 511 A HN 0.571 nan 8.150 nan 0.000 0.451 512 G N -0.200 108.616 108.800 0.028 0.000 2.421 512 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.216 512 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.216 512 G C 1.550 176.464 174.900 0.023 0.000 1.171 512 G CA 1.081 46.195 45.100 0.024 0.000 0.775 512 G HN 0.447 nan 8.290 nan 0.000 0.543 513 L N -0.588 120.651 121.223 0.025 0.000 2.072 513 L HA 0.106 4.446 4.340 -0.001 0.000 0.205 513 L C 2.871 179.754 176.870 0.022 0.000 1.079 513 L CA 0.957 55.811 54.840 0.024 0.000 0.752 513 L CB -0.255 41.819 42.059 0.025 0.000 0.906 513 L HN 0.252 nan 8.230 nan 0.000 0.436 514 M N 0.343 119.956 119.600 0.022 0.000 2.195 514 M HA -0.230 4.250 4.480 -0.001 0.000 0.260 514 M C 1.964 178.274 176.300 0.017 0.000 1.066 514 M CA 1.858 57.171 55.300 0.020 0.000 1.089 514 M CB -0.138 32.475 32.600 0.021 0.000 1.377 514 M HN 0.292 nan 8.290 nan 0.000 0.411 515 I N -2.696 117.884 120.570 0.017 0.000 3.291 515 I HA 0.003 4.172 4.170 -0.001 0.000 0.279 515 I C 1.337 177.462 176.117 0.014 0.000 1.294 515 I CA 0.918 62.226 61.300 0.014 0.000 1.428 515 I CB -1.023 36.985 38.000 0.013 0.000 1.070 515 I HN 0.225 nan 8.210 nan 0.000 0.478 516 T N -2.203 112.361 114.554 0.017 0.000 3.312 516 T HA 0.189 4.539 4.350 -0.001 0.000 0.251 516 T C 0.595 175.308 174.700 0.021 0.000 1.012 516 T CA -0.286 61.825 62.100 0.018 0.000 0.925 516 T CB -0.882 67.997 68.868 0.019 0.000 1.049 516 T HN 0.141 nan 8.240 nan 0.000 0.583 517 T N 2.394 116.959 114.554 0.019 0.000 2.780 517 T HA 0.293 4.643 4.350 -0.001 0.000 0.294 517 T C 0.737 175.451 174.700 0.024 0.000 0.949 517 T CA -0.231 61.880 62.100 0.019 0.000 1.074 517 T CB 1.392 70.267 68.868 0.011 0.000 0.910 517 T HN 0.395 nan 8.240 nan 0.000 0.501 518 E N 1.414 121.638 120.200 0.041 0.000 2.541 518 E HA 0.221 4.571 4.350 -0.001 0.000 0.219 518 E C -0.108 176.559 176.600 0.112 0.000 0.922 518 E CA -0.105 56.338 56.400 0.072 0.000 1.095 518 E CB 0.512 30.262 29.700 0.083 0.000 1.112 518 E HN 0.587 nan 8.360 nan 0.000 0.516 519 C N 0.187 119.518 119.300 0.051 0.000 2.985 519 C HA 0.739 5.199 4.460 -0.001 0.000 0.314 519 C C -1.557 173.374 174.990 -0.100 0.000 1.215 519 C CA -0.707 58.281 59.018 -0.050 0.000 1.414 519 C CB 0.628 28.396 27.740 0.048 0.000 1.842 519 C HN 0.287 nan 8.230 nan 0.000 0.477 520 M N 4.270 123.763 119.600 -0.179 0.000 2.393 520 M HA 0.574 5.054 4.480 -0.001 0.000 0.299 520 M C -1.216 175.127 176.300 0.072 0.000 1.103 520 M CA -0.591 54.703 55.300 -0.011 0.000 0.910 520 M CB 2.215 34.847 32.600 0.052 0.000 1.659 520 M HN 0.413 nan 8.290 nan 0.000 0.445 521 V N 1.626 121.590 119.914 0.083 0.000 2.376 521 V HA 0.639 4.759 4.120 -0.001 0.000 0.287 521 V C -0.315 175.787 176.094 0.012 0.000 1.015 521 V CA -0.321 62.007 62.300 0.046 0.000 0.834 521 V CB 1.675 33.499 31.823 0.003 0.000 1.001 521 V HN 0.964 nan 8.190 nan 0.000 0.428 522 T N 2.213 116.733 114.554 -0.057 0.000 2.812 522 T HA 0.454 4.804 4.350 -0.001 0.000 0.294 522 T C -0.970 173.621 174.700 -0.182 0.000 1.159 522 T CA -0.530 61.468 62.100 -0.171 0.000 1.008 522 T CB 1.921 70.577 68.868 -0.353 0.000 1.289 522 T HN 0.559 nan 8.240 nan 0.000 0.514 523 D N 1.152 121.451 120.400 -0.169 0.000 2.362 523 D HA 0.286 4.925 4.640 -0.001 0.000 0.238 523 D C 0.139 176.347 176.300 -0.154 0.000 1.212 523 D CA 0.067 53.989 54.000 -0.131 0.000 0.902 523 D CB 0.304 41.043 40.800 -0.102 0.000 1.180 523 D HN 0.382 nan 8.370 nan 0.000 0.445 524 L N 2.297 123.461 121.223 -0.099 0.000 2.397 524 L HA 0.230 4.569 4.340 -0.001 0.000 0.271 524 L C -1.352 175.468 176.870 -0.084 0.000 1.148 524 L CA -1.538 53.251 54.840 -0.085 0.000 0.825 524 L CB 0.448 42.479 42.059 -0.046 0.000 1.117 524 L HN 0.351 nan 8.230 nan 0.000 0.456 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.063 63.100 -0.062 0.000 0.800 525 P CB 0.000 31.676 31.700 -0.040 0.000 0.726