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 1mnf_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 0.864 123.684 122.820 -0.001 0.000 2.498 3 A HA 0.531 4.851 4.320 0.000 0.000 0.239 3 A C 0.193 177.778 177.584 0.002 0.000 1.068 3 A CA 0.376 52.416 52.037 0.005 0.000 0.766 3 A CB -0.109 18.896 19.000 0.010 0.000 1.003 3 A HN 0.602 nan 8.150 nan 0.000 0.497 4 K N 1.119 121.525 120.400 0.009 0.000 2.185 4 K HA 0.453 4.773 4.320 0.000 0.000 0.240 4 K C -1.186 175.436 176.600 0.036 0.000 0.983 4 K CA -0.692 55.598 56.287 0.006 0.000 0.873 4 K CB 1.479 33.980 32.500 0.003 0.000 1.118 4 K HN 0.723 nan 8.250 nan 0.000 0.441 5 D N 0.947 121.382 120.400 0.058 0.000 2.344 5 D HA 0.299 4.939 4.640 0.000 0.000 0.239 5 D C -1.285 175.151 176.300 0.225 0.000 1.064 5 D CA -0.587 53.503 54.000 0.150 0.000 0.829 5 D CB 1.157 42.084 40.800 0.213 0.000 1.129 5 D HN 0.054 nan 8.370 nan 0.000 0.506 6 V N 4.889 124.876 119.914 0.121 0.000 2.384 6 V HA 0.414 4.534 4.120 0.000 0.000 0.287 6 V C 0.372 176.356 176.094 -0.184 0.000 1.020 6 V CA -0.729 61.556 62.300 -0.025 0.000 0.850 6 V CB 1.487 33.249 31.823 -0.102 0.000 0.987 6 V HN 0.381 nan 8.190 nan 0.000 0.436 7 K N 3.614 123.802 120.400 -0.355 0.000 2.208 7 K HA 0.739 5.059 4.320 0.000 0.000 0.247 7 K C -1.414 174.850 176.600 -0.559 0.000 0.953 7 K CA -0.507 55.502 56.287 -0.464 0.000 0.837 7 K CB 2.297 34.313 32.500 -0.806 0.000 1.131 7 K HN 0.421 nan 8.250 nan 0.000 0.431 8 F N -0.723 119.160 119.950 -0.112 0.000 2.631 8 F HA 0.322 4.849 4.527 0.000 0.000 0.328 8 F C 1.469 177.231 175.800 -0.064 0.000 1.067 8 F CA 0.016 57.978 58.000 -0.063 0.000 0.969 8 F CB 1.085 40.061 39.000 -0.040 0.000 1.332 8 F HN 0.811 nan 8.300 nan 0.000 0.490 9 G N 1.326 110.251 108.800 0.208 0.000 2.738 9 G HA2 -0.487 3.473 3.960 0.000 0.000 0.391 9 G HA3 -0.487 3.473 3.960 0.000 0.000 0.391 9 G C 1.458 176.380 174.900 0.036 0.000 1.049 9 G CA 1.316 46.473 45.100 0.095 0.000 0.855 9 G HN 0.776 nan 8.290 nan 0.000 0.757 10 N N 0.843 119.557 118.700 0.024 0.000 2.104 10 N HA -0.142 4.598 4.740 0.000 0.000 0.190 10 N C 1.772 177.269 175.510 -0.021 0.000 1.024 10 N CA 2.139 55.190 53.050 0.001 0.000 0.853 10 N CB -0.368 38.119 38.487 0.000 0.000 1.008 10 N HN 0.517 nan 8.380 nan 0.000 0.424 11 D N 0.730 121.110 120.400 -0.033 0.000 2.097 11 D HA -0.097 4.543 4.640 0.000 0.000 0.195 11 D C 1.869 178.086 176.300 -0.138 0.000 0.989 11 D CA 1.242 55.191 54.000 -0.085 0.000 0.827 11 D CB -0.486 40.251 40.800 -0.106 0.000 0.966 11 D HN 0.393 nan 8.370 nan 0.000 0.456 12 A N 1.120 123.856 122.820 -0.139 0.000 1.902 12 A HA -0.200 4.120 4.320 0.000 0.000 0.217 12 A C 2.209 179.757 177.584 -0.059 0.000 1.181 12 A CA 1.336 53.282 52.037 -0.152 0.000 0.623 12 A CB -0.432 18.500 19.000 -0.112 0.000 0.818 12 A HN 0.118 nan 8.150 nan 0.000 0.443 13 R N -0.436 120.046 120.500 -0.030 0.000 2.073 13 R HA -0.129 4.211 4.340 0.000 0.000 0.234 13 R C 2.246 178.542 176.300 -0.006 0.000 1.134 13 R CA 1.785 57.880 56.100 -0.007 0.000 0.952 13 R CB -0.837 29.463 30.300 0.000 0.000 0.850 13 R HN 0.609 nan 8.270 nan 0.000 0.433 14 V N -0.041 119.863 119.914 -0.017 0.000 2.392 14 V HA -0.208 3.912 4.120 0.000 0.000 0.249 14 V C 1.970 178.063 176.094 -0.002 0.000 1.059 14 V CA 1.526 63.820 62.300 -0.010 0.000 1.051 14 V CB -0.417 31.396 31.823 -0.016 0.000 0.658 14 V HN 0.103 nan 8.190 nan 0.000 0.455 15 K N 0.205 120.599 120.400 -0.009 0.000 2.009 15 K HA -0.056 4.264 4.320 0.000 0.000 0.210 15 K C 2.279 178.910 176.600 0.051 0.000 1.049 15 K CA 2.280 58.584 56.287 0.029 0.000 0.929 15 K CB -0.628 31.897 32.500 0.042 0.000 0.714 15 K HN 0.554 nan 8.250 nan 0.000 0.440 16 M N 0.383 120.011 119.600 0.047 0.000 2.080 16 M HA -0.200 4.280 4.480 0.000 0.000 0.260 16 M C 2.309 178.626 176.300 0.029 0.000 1.068 16 M CA 1.212 56.538 55.300 0.044 0.000 1.109 16 M CB -0.486 32.137 32.600 0.038 0.000 1.342 16 M HN 0.042 nan 8.290 nan 0.000 0.405 17 L N 0.712 121.947 121.223 0.020 0.000 1.990 17 L HA -0.237 4.103 4.340 0.000 0.000 0.213 17 L C 2.458 179.337 176.870 0.015 0.000 1.072 17 L CA 1.996 56.844 54.840 0.015 0.000 0.755 17 L CB -0.538 41.527 42.059 0.010 0.000 0.889 17 L HN 0.166 nan 8.230 nan 0.000 0.432 18 R N -0.659 119.851 120.500 0.017 0.000 2.091 18 R HA -0.125 4.215 4.340 0.000 0.000 0.238 18 R C 2.228 178.538 176.300 0.018 0.000 1.136 18 R CA 1.200 57.310 56.100 0.017 0.000 0.959 18 R CB -1.046 29.266 30.300 0.019 0.000 0.856 18 R HN 0.619 nan 8.270 nan 0.000 0.437 19 G N 0.776 109.591 108.800 0.024 0.000 2.433 19 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 19 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 19 G C 1.482 176.390 174.900 0.013 0.000 1.186 19 G CA 1.106 46.218 45.100 0.021 0.000 0.779 19 G HN 0.336 nan 8.290 nan 0.000 0.543 20 V N -0.319 119.603 119.914 0.013 0.000 2.809 20 V HA -0.061 4.059 4.120 0.000 0.000 0.256 20 V C 2.139 178.238 176.094 0.007 0.000 1.080 20 V CA 2.066 64.372 62.300 0.009 0.000 1.102 20 V CB -0.498 31.332 31.823 0.011 0.000 0.705 20 V HN 0.204 nan 8.190 nan 0.000 0.475 21 N N 0.930 119.635 118.700 0.008 0.000 2.188 21 N HA -0.070 4.670 4.740 0.000 0.000 0.184 21 N C 1.813 177.325 175.510 0.004 0.000 1.018 21 N CA 1.735 54.788 53.050 0.006 0.000 0.858 21 N CB -0.315 38.176 38.487 0.006 0.000 0.989 21 N HN 0.511 nan 8.380 nan 0.000 0.426 22 V N 1.587 121.504 119.914 0.004 0.000 2.307 22 V HA -0.177 3.943 4.120 0.000 0.000 0.245 22 V C 2.378 178.471 176.094 -0.001 0.000 1.045 22 V CA 1.024 63.325 62.300 0.001 0.000 1.024 22 V CB -0.532 31.292 31.823 0.001 0.000 0.651 22 V HN 0.183 nan 8.190 nan 0.000 0.449 23 L N 1.106 122.328 121.223 -0.001 0.000 1.961 23 L HA -0.091 4.249 4.340 0.000 0.000 0.210 23 L C 2.492 179.360 176.870 -0.003 0.000 1.072 23 L CA 2.631 57.469 54.840 -0.004 0.000 0.749 23 L CB -1.222 40.834 42.059 -0.004 0.000 0.889 23 L HN 0.202 nan 8.230 nan 0.000 0.432 24 A N -0.682 122.137 122.820 -0.001 0.000 1.883 24 A HA -0.265 4.055 4.320 0.000 0.000 0.217 24 A C 2.011 179.595 177.584 -0.001 0.000 1.186 24 A CA 2.090 54.127 52.037 0.000 0.000 0.624 24 A CB -1.134 17.868 19.000 0.003 0.000 0.822 24 A HN 0.624 nan 8.150 nan 0.000 0.444 25 D N -0.088 120.312 120.400 -0.000 0.000 2.149 25 D HA -0.066 4.574 4.640 0.000 0.000 0.198 25 D C 2.169 178.467 176.300 -0.002 0.000 0.990 25 D CA 1.536 55.535 54.000 -0.001 0.000 0.839 25 D CB -0.386 40.413 40.800 -0.000 0.000 0.948 25 D HN 0.460 nan 8.370 nan 0.000 0.460 26 A N 0.232 123.050 122.820 -0.004 0.000 1.897 26 A HA -0.075 4.245 4.320 0.000 0.000 0.215 26 A C 2.486 180.067 177.584 -0.006 0.000 1.181 26 A CA 0.924 52.958 52.037 -0.005 0.000 0.620 26 A CB -0.534 18.462 19.000 -0.007 0.000 0.821 26 A HN 0.145 nan 8.150 nan 0.000 0.443 27 V N 1.261 121.171 119.914 -0.006 0.000 2.407 27 V HA -0.214 3.906 4.120 0.000 0.000 0.245 27 V C 2.490 178.581 176.094 -0.004 0.000 1.041 27 V CA 2.124 64.420 62.300 -0.007 0.000 1.040 27 V CB -0.616 31.202 31.823 -0.008 0.000 0.671 27 V HN 0.839 nan 8.190 nan 0.000 0.455 28 K N 1.437 121.835 120.400 -0.003 0.000 2.442 28 K HA -0.101 4.219 4.320 0.000 0.000 0.198 28 K C 1.720 178.319 176.600 -0.001 0.000 1.044 28 K CA 1.669 57.955 56.287 -0.001 0.000 0.948 28 K CB -0.609 31.891 32.500 0.000 0.000 0.762 28 K HN 0.498 nan 8.250 nan 0.000 0.472 29 V N -0.332 119.580 119.914 -0.002 0.000 2.970 29 V HA -0.138 3.982 4.120 0.000 0.000 0.260 29 V C 2.190 178.283 176.094 -0.002 0.000 1.100 29 V CA 1.665 63.964 62.300 -0.001 0.000 1.122 29 V CB -0.997 30.825 31.823 -0.002 0.000 0.721 29 V HN 0.548 nan 8.190 nan 0.000 0.483 30 T N -2.402 112.150 114.554 -0.003 0.000 3.057 30 T HA 0.215 4.565 4.350 0.000 0.000 0.254 30 T C 0.667 175.365 174.700 -0.002 0.000 1.094 30 T CA -0.104 61.995 62.100 -0.003 0.000 1.088 30 T CB -0.281 68.584 68.868 -0.005 0.000 0.934 30 T HN 0.332 nan 8.240 nan 0.000 0.497 31 L N 2.749 123.971 121.223 -0.001 0.000 2.540 31 L HA 0.459 4.799 4.340 0.000 0.000 0.276 31 L C 0.959 177.830 176.870 0.002 0.000 1.212 31 L CA 1.753 56.594 54.840 0.001 0.000 0.893 31 L CB -0.716 41.344 42.059 0.002 0.000 1.138 31 L HN 0.772 nan 8.230 nan 0.000 0.491 32 G N 4.262 113.062 108.800 0.000 0.000 2.746 32 G HA2 -0.141 3.819 3.960 0.000 0.000 0.685 32 G HA3 -0.141 3.819 3.960 0.000 0.000 0.685 32 G C -1.923 172.973 174.900 -0.006 0.000 1.350 32 G CA -0.311 44.789 45.100 -0.000 0.000 0.837 32 G HN 0.598 nan 8.290 nan 0.000 0.564 33 P HA 0.025 nan 4.420 nan 0.000 0.226 33 P C 0.814 178.106 177.300 -0.013 0.000 1.153 33 P CA 1.071 64.159 63.100 -0.019 0.000 0.777 33 P CB 0.168 31.848 31.700 -0.035 0.000 0.794 34 K N 0.254 120.650 120.400 -0.005 0.000 2.498 34 K HA 0.260 4.580 4.320 0.000 0.000 0.207 34 K C 1.059 177.660 176.600 0.001 0.000 1.033 34 K CA -0.245 56.041 56.287 -0.001 0.000 1.138 34 K CB 0.282 32.785 32.500 0.006 0.000 0.860 34 K HN 0.044 nan 8.250 nan 0.000 0.490 35 G N 1.655 110.454 108.800 -0.001 0.000 2.484 35 G HA2 0.022 3.982 3.960 0.000 0.000 0.235 35 G HA3 0.022 3.982 3.960 0.000 0.000 0.235 35 G C 0.146 175.045 174.900 -0.001 0.000 1.282 35 G CA -0.305 44.795 45.100 -0.001 0.000 0.857 35 G HN 0.071 nan 8.290 nan 0.000 0.571 36 R N 0.822 121.321 120.500 -0.001 0.000 2.549 36 R HA 0.220 4.560 4.340 0.000 0.000 0.267 36 R C 0.062 176.360 176.300 -0.003 0.000 1.045 36 R CA -0.771 55.328 56.100 -0.002 0.000 1.115 36 R CB 0.491 30.791 30.300 -0.001 0.000 1.121 36 R HN 0.648 nan 8.270 nan 0.000 0.543 37 N N -0.818 117.880 118.700 -0.003 0.000 2.524 37 N HA 0.288 5.029 4.740 0.000 0.000 0.283 37 N C -0.915 174.592 175.510 -0.005 0.000 1.142 37 N CA -0.374 52.673 53.050 -0.004 0.000 0.984 37 N CB 1.293 39.778 38.487 -0.003 0.000 1.155 37 N HN 0.079 nan 8.380 nan 0.000 0.467 38 V N 2.113 122.024 119.914 -0.006 0.000 2.540 38 V HA 0.341 4.461 4.120 0.000 0.000 0.302 38 V C -0.438 175.651 176.094 -0.007 0.000 1.035 38 V CA -0.769 61.527 62.300 -0.007 0.000 0.873 38 V CB 1.879 33.697 31.823 -0.008 0.000 0.992 38 V HN 0.324 nan 8.190 nan 0.000 0.428 39 V N 6.475 126.384 119.914 -0.008 0.000 2.350 39 V HA 0.456 4.576 4.120 0.000 0.000 0.276 39 V C -0.185 175.902 176.094 -0.012 0.000 1.028 39 V CA -0.415 61.879 62.300 -0.009 0.000 0.860 39 V CB 1.275 33.093 31.823 -0.008 0.000 0.990 39 V HN 0.594 nan 8.190 nan 0.000 0.453 40 L N 3.836 125.051 121.223 -0.013 0.000 2.287 40 L HA 0.525 4.865 4.340 0.000 0.000 0.287 40 L C -0.007 176.852 176.870 -0.019 0.000 1.022 40 L CA -0.544 54.286 54.840 -0.016 0.000 0.814 40 L CB 1.634 43.684 42.059 -0.015 0.000 1.217 40 L HN 0.532 nan 8.230 nan 0.000 0.420 41 D N 3.069 123.453 120.400 -0.026 0.000 2.360 41 D HA 0.274 4.914 4.640 0.000 0.000 0.242 41 D C -0.544 175.731 176.300 -0.041 0.000 1.184 41 D CA 0.227 54.207 54.000 -0.034 0.000 0.930 41 D CB 0.946 41.720 40.800 -0.042 0.000 1.161 41 D HN 0.343 nan 8.370 nan 0.000 0.447 42 K N -0.162 120.208 120.400 -0.051 0.000 2.426 42 K HA 0.225 4.545 4.320 0.000 0.000 0.251 42 K C 0.959 177.482 176.600 -0.127 0.000 0.941 42 K CA -0.574 55.678 56.287 -0.058 0.000 0.808 42 K CB 1.824 34.314 32.500 -0.017 0.000 1.265 42 K HN 0.415 nan 8.250 nan 0.000 0.432 43 S N 0.976 116.562 115.700 -0.191 0.000 2.382 43 S HA -0.051 4.419 4.470 0.000 0.000 0.228 43 S C 0.355 174.503 174.600 -0.752 0.000 1.027 43 S CA 0.881 58.797 58.200 -0.472 0.000 0.991 43 S CB -0.223 62.690 63.200 -0.479 0.000 0.823 43 S HN 0.406 nan 8.310 nan 0.000 0.469 44 F N 1.161 121.109 119.950 -0.004 0.000 2.562 44 F HA 0.696 5.223 4.527 -0.000 0.000 0.319 44 F C 0.786 176.585 175.800 -0.003 0.000 1.154 44 F CA -0.011 57.987 58.000 -0.003 0.000 0.931 44 F CB 1.768 40.766 39.000 -0.003 0.000 1.198 44 F HN 0.467 nan 8.300 nan 0.000 0.444 45 G N 1.339 110.241 108.800 0.170 0.000 2.297 45 G HA2 0.440 4.400 3.960 0.000 0.000 0.209 45 G HA3 0.440 4.400 3.960 0.000 0.000 0.209 45 G C -1.645 173.286 174.900 0.050 0.000 1.267 45 G CA -0.395 44.763 45.100 0.096 0.000 1.127 45 G HN 1.050 nan 8.290 nan 0.000 0.498 46 A N 0.609 123.449 122.820 0.034 0.000 2.312 46 A HA 0.888 5.208 4.320 0.000 0.000 0.328 46 A C -1.942 175.648 177.584 0.010 0.000 1.158 46 A CA -0.897 51.151 52.037 0.018 0.000 0.821 46 A CB 0.473 19.483 19.000 0.016 0.000 1.170 46 A HN 0.635 nan 8.150 nan 0.000 0.490 47 P HA 0.179 nan 4.420 nan 0.000 0.269 47 P C -0.235 177.064 177.300 -0.002 0.000 1.211 47 P CA 0.251 63.349 63.100 -0.005 0.000 0.781 47 P CB 0.350 32.045 31.700 -0.008 0.000 0.877 48 T N 2.169 116.720 114.554 -0.004 0.000 2.799 48 T HA 0.470 4.820 4.350 0.000 0.000 0.286 48 T C 0.231 174.928 174.700 -0.004 0.000 0.973 48 T CA -0.216 61.883 62.100 -0.003 0.000 1.035 48 T CB 0.001 68.866 68.868 -0.004 0.000 0.932 48 T HN 0.175 nan 8.240 nan 0.000 0.469 49 I N 3.131 123.700 120.570 -0.003 0.000 2.328 49 I HA 0.425 4.595 4.170 0.000 0.000 0.287 49 I C 0.429 176.544 176.117 -0.004 0.000 1.012 49 I CA -0.394 60.904 61.300 -0.003 0.000 1.195 49 I CB 1.507 39.506 38.000 -0.002 0.000 1.350 49 I HN 0.505 nan 8.210 nan 0.000 0.464 50 T N 4.623 119.175 114.554 -0.005 0.000 2.896 50 T HA 0.405 4.755 4.350 0.000 0.000 0.297 50 T C 0.022 174.719 174.700 -0.005 0.000 1.108 50 T CA -0.587 61.510 62.100 -0.005 0.000 1.004 50 T CB 1.741 70.606 68.868 -0.006 0.000 1.159 50 T HN 0.622 nan 8.240 nan 0.000 0.499 51 K N 1.534 121.931 120.400 -0.005 0.000 2.478 51 K HA 0.189 4.509 4.320 0.000 0.000 0.205 51 K C -0.642 175.955 176.600 -0.006 0.000 1.033 51 K CA -0.233 56.051 56.287 -0.005 0.000 1.091 51 K CB 0.478 32.975 32.500 -0.005 0.000 0.844 51 K HN 0.448 nan 8.250 nan 0.000 0.507 52 D N 0.355 120.751 120.400 -0.007 0.000 2.441 52 D HA 0.102 4.742 4.640 0.000 0.000 0.221 52 D C 1.259 177.553 176.300 -0.011 0.000 1.156 52 D CA -0.151 53.844 54.000 -0.009 0.000 0.896 52 D CB 1.009 41.804 40.800 -0.009 0.000 1.028 52 D HN 0.217 nan 8.370 nan 0.000 0.509 53 G N 2.380 111.174 108.800 -0.011 0.000 2.503 53 G HA2 -0.279 3.681 3.960 0.000 0.000 0.221 53 G HA3 -0.279 3.681 3.960 0.000 0.000 0.221 53 G C 1.537 176.426 174.900 -0.017 0.000 1.131 53 G CA 0.914 46.007 45.100 -0.012 0.000 0.756 53 G HN 0.483 nan 8.290 nan 0.000 0.572 54 V N 0.806 120.708 119.914 -0.020 0.000 2.343 54 V HA -0.183 3.937 4.120 0.000 0.000 0.247 54 V C 3.093 179.173 176.094 -0.023 0.000 1.051 54 V CA 2.216 64.501 62.300 -0.025 0.000 1.036 54 V CB -0.533 31.273 31.823 -0.030 0.000 0.654 54 V HN 0.385 nan 8.190 nan 0.000 0.451 55 S N -0.104 115.585 115.700 -0.019 0.000 2.368 55 S HA -0.171 4.299 4.470 0.000 0.000 0.225 55 S C 2.020 176.609 174.600 -0.018 0.000 1.030 55 S CA 1.564 59.753 58.200 -0.017 0.000 0.999 55 S CB -0.235 62.957 63.200 -0.013 0.000 0.844 55 S HN 0.396 nan 8.310 nan 0.000 0.459 56 V N 2.162 122.066 119.914 -0.016 0.000 2.261 56 V HA -0.221 3.899 4.120 0.000 0.000 0.246 56 V C 2.694 178.777 176.094 -0.018 0.000 1.047 56 V CA 1.716 64.007 62.300 -0.016 0.000 1.015 56 V CB -1.360 30.456 31.823 -0.013 0.000 0.642 56 V HN 0.541 nan 8.190 nan 0.000 0.446 57 A N -0.150 122.659 122.820 -0.019 0.000 1.917 57 A HA -0.324 3.996 4.320 0.000 0.000 0.219 57 A C 2.425 179.994 177.584 -0.024 0.000 1.182 57 A CA 2.365 54.390 52.037 -0.021 0.000 0.633 57 A CB -0.691 18.294 19.000 -0.025 0.000 0.819 57 A HN 0.470 nan 8.150 nan 0.000 0.448 58 R N -0.651 119.834 120.500 -0.026 0.000 2.105 58 R HA -0.143 4.197 4.340 0.000 0.000 0.239 58 R C 1.404 177.688 176.300 -0.027 0.000 1.135 58 R CA 1.533 57.616 56.100 -0.028 0.000 0.967 58 R CB -0.118 30.165 30.300 -0.028 0.000 0.861 58 R HN 0.486 nan 8.270 nan 0.000 0.442 59 E N 0.206 120.392 120.200 -0.024 0.000 2.435 59 E HA -0.015 4.335 4.350 0.000 0.000 0.195 59 E C 0.250 176.836 176.600 -0.023 0.000 1.029 59 E CA 0.209 56.594 56.400 -0.024 0.000 0.865 59 E CB 0.187 29.874 29.700 -0.022 0.000 0.833 59 E HN 0.234 nan 8.360 nan 0.000 0.510 60 I N 2.101 122.658 120.570 -0.022 0.000 2.421 60 I HA 0.126 4.296 4.170 0.000 0.000 0.291 60 I C 0.341 176.445 176.117 -0.021 0.000 1.089 60 I CA 0.245 61.533 61.300 -0.020 0.000 1.354 60 I CB -0.051 37.939 38.000 -0.016 0.000 1.413 60 I HN -0.074 nan 8.210 nan 0.000 0.513 61 E N 7.062 127.249 120.200 -0.021 0.000 2.291 61 E HA 0.490 4.840 4.350 0.000 0.000 0.276 61 E C -1.548 175.039 176.600 -0.021 0.000 0.896 61 E CA -0.588 55.798 56.400 -0.023 0.000 0.774 61 E CB 1.995 31.678 29.700 -0.027 0.000 1.227 61 E HN 0.442 nan 8.360 nan 0.000 0.413 62 L N 3.276 124.488 121.223 -0.019 0.000 2.344 62 L HA 0.364 4.704 4.340 0.000 0.000 0.272 62 L C 1.541 178.400 176.870 -0.018 0.000 1.035 62 L CA -0.395 54.436 54.840 -0.014 0.000 0.807 62 L CB 1.419 43.475 42.059 -0.005 0.000 1.237 62 L HN 0.744 nan 8.230 nan 0.000 0.442 63 E N 0.800 120.993 120.200 -0.012 0.000 2.047 63 E HA -0.181 4.169 4.350 0.000 0.000 0.191 63 E C 0.546 177.138 176.600 -0.013 0.000 0.987 63 E CA 0.626 57.017 56.400 -0.014 0.000 0.799 63 E CB 0.240 29.936 29.700 -0.008 0.000 0.752 63 E HN 0.648 nan 8.360 nan 0.000 0.449 64 D N 0.737 121.140 120.400 0.005 0.000 2.363 64 D HA -0.059 4.581 4.640 0.000 0.000 0.263 64 D C 0.625 176.918 176.300 -0.012 0.000 1.258 64 D CA 0.070 54.085 54.000 0.025 0.000 0.907 64 D CB 0.860 41.701 40.800 0.068 0.000 1.107 64 D HN 0.089 nan 8.370 nan 0.000 0.495 65 K N 3.475 123.819 120.400 -0.093 0.000 2.113 65 K HA -0.189 4.131 4.320 0.000 0.000 0.208 65 K C 1.853 178.290 176.600 -0.273 0.000 1.047 65 K CA 1.226 57.375 56.287 -0.229 0.000 0.928 65 K CB -0.256 32.019 32.500 -0.376 0.000 0.716 65 K HN 0.480 nan 8.250 nan 0.000 0.446 66 F N 1.696 121.632 119.950 -0.025 0.000 2.128 66 F HA -0.061 4.466 4.527 0.000 0.000 0.295 66 F C 2.423 178.210 175.800 -0.022 0.000 1.100 66 F CA 1.061 59.044 58.000 -0.028 0.000 1.260 66 F CB -0.464 38.518 39.000 -0.030 0.000 1.009 66 F HN 0.081 nan 8.300 nan 0.000 0.476 67 E N -0.072 120.224 120.200 0.160 0.000 2.110 67 E HA -0.249 4.101 4.350 0.000 0.000 0.193 67 E C 1.794 178.417 176.600 0.038 0.000 0.988 67 E CA 1.250 57.701 56.400 0.084 0.000 0.804 67 E CB -0.332 29.405 29.700 0.063 0.000 0.745 67 E HN 0.310 nan 8.360 nan 0.000 0.458 68 N N 0.601 119.306 118.700 0.008 0.000 2.142 68 N HA -0.131 4.609 4.740 0.000 0.000 0.186 68 N C 1.717 177.216 175.510 -0.019 0.000 1.023 68 N CA 1.162 54.202 53.050 -0.017 0.000 0.852 68 N CB 0.022 38.483 38.487 -0.043 0.000 0.998 68 N HN 0.058 nan 8.380 nan 0.000 0.424 69 M N -0.685 118.900 119.600 -0.024 0.000 2.159 69 M HA -0.035 4.445 4.480 0.000 0.000 0.263 69 M C 2.116 178.420 176.300 0.007 0.000 1.063 69 M CA 1.614 56.903 55.300 -0.018 0.000 1.110 69 M CB -0.500 32.088 32.600 -0.020 0.000 1.374 69 M HN 0.304 nan 8.290 nan 0.000 0.411 70 G N -0.058 108.758 108.800 0.026 0.000 2.459 70 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 70 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 70 G C 1.619 176.526 174.900 0.012 0.000 1.183 70 G CA 1.062 46.178 45.100 0.026 0.000 0.776 70 G HN 0.544 nan 8.290 nan 0.000 0.552 71 A N -0.008 122.816 122.820 0.007 0.000 1.877 71 A HA -0.089 4.231 4.320 0.000 0.000 0.216 71 A C 2.408 179.988 177.584 -0.007 0.000 1.186 71 A CA 2.078 54.114 52.037 -0.001 0.000 0.620 71 A CB -0.432 18.565 19.000 -0.004 0.000 0.822 71 A HN 0.315 nan 8.150 nan 0.000 0.443 72 Q N -0.548 119.244 119.800 -0.012 0.000 2.170 72 Q HA -0.130 4.210 4.340 0.000 0.000 0.203 72 Q C 2.112 178.104 176.000 -0.014 0.000 0.976 72 Q CA 1.551 57.343 55.803 -0.018 0.000 0.858 72 Q CB -0.566 28.158 28.738 -0.024 0.000 0.907 72 Q HN 0.797 nan 8.270 nan 0.000 0.433 73 M N -0.304 119.292 119.600 -0.006 0.000 2.077 73 M HA -0.122 4.358 4.480 0.000 0.000 0.261 73 M C 2.309 178.609 176.300 0.001 0.000 1.070 73 M CA 1.481 56.781 55.300 -0.000 0.000 1.125 73 M CB -0.521 32.084 32.600 0.009 0.000 1.339 73 M HN 0.169 nan 8.290 nan 0.000 0.409 74 V N -0.170 119.746 119.914 0.004 0.000 2.548 74 V HA -0.212 3.908 4.120 0.000 0.000 0.249 74 V C 2.110 178.198 176.094 -0.010 0.000 1.055 74 V CA 1.917 64.220 62.300 0.005 0.000 1.065 74 V CB -0.661 31.167 31.823 0.010 0.000 0.681 74 V HN 0.469 nan 8.190 nan 0.000 0.462 75 K N -0.562 119.828 120.400 -0.016 0.000 2.103 75 K HA -0.220 4.100 4.320 0.000 0.000 0.207 75 K C 2.327 178.902 176.600 -0.042 0.000 1.048 75 K CA 1.956 58.226 56.287 -0.027 0.000 0.930 75 K CB -0.153 32.332 32.500 -0.025 0.000 0.716 75 K HN 0.566 nan 8.250 nan 0.000 0.444 76 E N 0.126 120.302 120.200 -0.038 0.000 2.028 76 E HA -0.143 4.207 4.350 0.000 0.000 0.191 76 E C 2.064 178.614 176.600 -0.083 0.000 0.988 76 E CA 1.596 57.965 56.400 -0.052 0.000 0.799 76 E CB -0.133 29.547 29.700 -0.034 0.000 0.755 76 E HN 0.314 nan 8.360 nan 0.000 0.447 77 V N -0.917 118.961 119.914 -0.060 0.000 2.667 77 V HA 0.012 4.132 4.120 0.000 0.000 0.252 77 V C 2.248 178.230 176.094 -0.188 0.000 1.065 77 V CA 1.619 63.864 62.300 -0.092 0.000 1.083 77 V CB -0.656 31.203 31.823 0.060 0.000 0.692 77 V HN 0.165 nan 8.190 nan 0.000 0.468 78 A N 1.798 124.559 122.820 -0.098 0.000 1.902 78 A HA -0.156 4.164 4.320 0.000 0.000 0.217 78 A C 2.624 180.111 177.584 -0.162 0.000 1.181 78 A CA 2.455 54.438 52.037 -0.091 0.000 0.623 78 A CB -1.062 17.913 19.000 -0.041 0.000 0.818 78 A HN 0.983 nan 8.150 nan 0.000 0.443 79 S N -0.059 115.546 115.700 -0.157 0.000 2.423 79 S HA -0.169 4.301 4.470 0.000 0.000 0.231 79 S C 1.784 176.236 174.600 -0.247 0.000 1.014 79 S CA 1.428 59.533 58.200 -0.159 0.000 0.965 79 S CB -0.414 62.716 63.200 -0.115 0.000 0.785 79 S HN 0.590 nan 8.310 nan 0.000 0.495 80 K N 1.393 121.555 120.400 -0.398 0.000 2.152 80 K HA -0.016 4.304 4.320 0.000 0.000 0.206 80 K C 2.475 178.680 176.600 -0.657 0.000 1.048 80 K CA 1.170 57.097 56.287 -0.600 0.000 0.933 80 K CB -0.557 31.348 32.500 -0.992 0.000 0.721 80 K HN 0.552 nan 8.250 nan 0.000 0.447 81 A N 1.812 124.274 122.820 -0.597 0.000 1.845 81 A HA -0.229 4.091 4.320 0.000 0.000 0.215 81 A C 1.919 179.443 177.584 -0.100 0.000 1.195 81 A CA 1.916 53.835 52.037 -0.197 0.000 0.616 81 A CB -0.763 18.219 19.000 -0.031 0.000 0.832 81 A HN 0.275 nan 8.150 nan 0.000 0.443 82 N N 0.115 118.744 118.700 -0.119 0.000 2.137 82 N HA -0.158 4.582 4.740 0.000 0.000 0.190 82 N C 1.154 176.595 175.510 -0.116 0.000 1.017 82 N CA 1.699 54.689 53.050 -0.100 0.000 0.859 82 N CB -0.202 38.225 38.487 -0.100 0.000 1.002 82 N HN 0.452 nan 8.380 nan 0.000 0.428 83 D N -0.452 119.870 120.400 -0.129 0.000 2.117 83 D HA -0.059 4.581 4.640 0.000 0.000 0.198 83 D C 1.726 177.983 176.300 -0.071 0.000 0.982 83 D CA 1.173 55.106 54.000 -0.112 0.000 0.828 83 D CB -0.415 40.316 40.800 -0.115 0.000 0.967 83 D HN 0.353 nan 8.370 nan 0.000 0.464 84 A N 0.237 123.035 122.820 -0.037 0.000 1.968 84 A HA 0.230 4.550 4.320 0.000 0.000 0.217 84 A C 1.921 179.521 177.584 0.027 0.000 1.169 84 A CA 1.721 53.777 52.037 0.032 0.000 0.638 84 A CB 0.039 19.122 19.000 0.137 0.000 0.812 84 A HN 0.221 nan 8.150 nan 0.000 0.446 85 A N -2.784 120.040 122.820 0.007 0.000 2.628 85 A HA 0.479 4.799 4.320 0.000 0.000 0.267 85 A C 1.470 179.039 177.584 -0.024 0.000 1.159 85 A CA 0.927 52.970 52.037 0.011 0.000 0.972 85 A CB -0.396 18.623 19.000 0.033 0.000 1.211 85 A HN 1.822 nan 8.150 nan 0.000 0.576 86 G N -0.480 108.265 108.800 -0.092 0.000 2.155 86 G HA2 -0.181 3.779 3.960 0.000 0.000 0.257 86 G HA3 -0.181 3.779 3.960 0.000 0.000 0.257 86 G C -0.147 174.697 174.900 -0.092 0.000 0.983 86 G CA 0.784 45.780 45.100 -0.173 0.000 0.676 86 G HN 0.918 nan 8.290 nan 0.000 0.528 87 D N -3.177 117.192 120.400 -0.052 0.000 2.807 87 D HA 0.558 5.198 4.640 0.000 0.000 0.279 87 D C 0.831 177.123 176.300 -0.013 0.000 1.247 87 D CA 1.410 55.393 54.000 -0.029 0.000 0.749 87 D CB 0.295 41.090 40.800 -0.009 0.000 1.264 87 D HN 1.369 nan 8.370 nan 0.000 0.421 88 G N -0.175 108.621 108.800 -0.008 0.000 2.179 88 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 88 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 88 G C 1.050 175.949 174.900 -0.001 0.000 0.990 88 G CA 1.428 46.532 45.100 0.005 0.000 0.646 88 G HN 0.970 nan 8.290 nan 0.000 0.517 89 T N -1.562 112.979 114.554 -0.022 0.000 2.652 89 T HA -0.126 4.224 4.350 0.000 0.000 0.267 89 T C 2.217 176.909 174.700 -0.014 0.000 1.039 89 T CA 2.632 64.714 62.100 -0.030 0.000 1.153 89 T CB -0.900 67.940 68.868 -0.047 0.000 0.863 89 T HN 0.311 nan 8.240 nan 0.000 0.428 90 T N 1.860 116.407 114.554 -0.012 0.000 2.684 90 T HA -0.126 4.224 4.350 0.000 0.000 0.267 90 T C 2.270 176.971 174.700 0.002 0.000 1.036 90 T CA 1.957 64.053 62.100 -0.006 0.000 1.148 90 T CB -1.068 67.797 68.868 -0.006 0.000 0.863 90 T HN 0.528 nan 8.240 nan 0.000 0.436 91 T N 1.961 116.518 114.554 0.006 0.000 2.684 91 T HA -0.085 4.265 4.350 0.000 0.000 0.267 91 T C 2.379 177.091 174.700 0.020 0.000 1.036 91 T CA 1.309 63.416 62.100 0.013 0.000 1.148 91 T CB -0.650 68.228 68.868 0.017 0.000 0.863 91 T HN 0.444 nan 8.240 nan 0.000 0.436 92 A N 1.139 123.974 122.820 0.026 0.000 1.908 92 A HA -0.169 4.151 4.320 0.000 0.000 0.218 92 A C 2.553 180.154 177.584 0.028 0.000 1.181 92 A CA 2.274 54.335 52.037 0.040 0.000 0.627 92 A CB -1.291 17.741 19.000 0.053 0.000 0.818 92 A HN 0.497 nan 8.150 nan 0.000 0.445 93 T N -0.359 114.203 114.554 0.014 0.000 2.708 93 T HA -0.130 4.220 4.350 0.000 0.000 0.266 93 T C 2.010 176.716 174.700 0.011 0.000 1.037 93 T CA 1.986 64.092 62.100 0.009 0.000 1.146 93 T CB -0.689 68.178 68.868 -0.000 0.000 0.865 93 T HN 0.701 nan 8.240 nan 0.000 0.435 94 V N 0.346 120.266 119.914 0.010 0.000 2.548 94 V HA 0.034 4.154 4.120 0.000 0.000 0.249 94 V C 2.191 178.292 176.094 0.012 0.000 1.055 94 V CA 1.288 63.594 62.300 0.009 0.000 1.065 94 V CB -0.976 30.851 31.823 0.007 0.000 0.681 94 V HN 0.447 nan 8.190 nan 0.000 0.462 95 L N 0.581 121.813 121.223 0.017 0.000 2.056 95 L HA -0.023 4.317 4.340 0.000 0.000 0.207 95 L C 3.042 179.924 176.870 0.020 0.000 1.078 95 L CA 1.654 56.505 54.840 0.019 0.000 0.749 95 L CB -0.837 41.237 42.059 0.025 0.000 0.901 95 L HN 0.461 nan 8.230 nan 0.000 0.433 96 A N -0.534 122.300 122.820 0.023 0.000 1.898 96 A HA -0.276 4.044 4.320 0.000 0.000 0.216 96 A C 2.249 179.843 177.584 0.017 0.000 1.181 96 A CA 1.744 53.795 52.037 0.023 0.000 0.620 96 A CB -0.551 18.464 19.000 0.026 0.000 0.819 96 A HN 0.497 nan 8.150 nan 0.000 0.442 97 Q N -0.432 119.376 119.800 0.014 0.000 2.084 97 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 97 Q C 2.139 178.145 176.000 0.010 0.000 0.978 97 Q CA 1.657 57.466 55.803 0.011 0.000 0.844 97 Q CB -0.343 28.400 28.738 0.008 0.000 0.898 97 Q HN 0.594 nan 8.270 nan 0.000 0.426 98 A N 0.900 123.726 122.820 0.010 0.000 1.873 98 A HA -0.147 4.173 4.320 0.000 0.000 0.215 98 A C 2.005 179.594 177.584 0.009 0.000 1.186 98 A CA 1.393 53.435 52.037 0.009 0.000 0.616 98 A CB -0.665 18.340 19.000 0.009 0.000 0.823 98 A HN 0.479 nan 8.150 nan 0.000 0.442 99 I N -0.286 120.290 120.570 0.011 0.000 2.179 99 I HA -0.258 3.912 4.170 0.000 0.000 0.242 99 I C 2.353 178.476 176.117 0.011 0.000 1.088 99 I CA 1.399 62.706 61.300 0.011 0.000 1.357 99 I CB -0.454 37.554 38.000 0.013 0.000 1.051 99 I HN 0.291 nan 8.210 nan 0.000 0.409 100 I N 0.462 121.039 120.570 0.012 0.000 2.163 100 I HA -0.284 3.886 4.170 0.000 0.000 0.243 100 I C 2.627 178.750 176.117 0.010 0.000 1.085 100 I CA 1.606 62.913 61.300 0.012 0.000 1.347 100 I CB -0.651 37.357 38.000 0.014 0.000 1.044 100 I HN 0.261 nan 8.210 nan 0.000 0.408 101 T N 0.272 114.832 114.554 0.009 0.000 2.652 101 T HA -0.180 4.170 4.350 0.000 0.000 0.267 101 T C 1.842 176.546 174.700 0.006 0.000 1.039 101 T CA 1.413 63.517 62.100 0.007 0.000 1.153 101 T CB -0.162 68.709 68.868 0.006 0.000 0.863 101 T HN 0.291 nan 8.240 nan 0.000 0.428 102 E N 0.520 120.724 120.200 0.006 0.000 2.072 102 E HA 0.017 4.367 4.350 0.000 0.000 0.190 102 E C 2.581 179.185 176.600 0.006 0.000 0.982 102 E CA 0.988 57.391 56.400 0.005 0.000 0.803 102 E CB -0.911 28.792 29.700 0.005 0.000 0.755 102 E HN 0.551 nan 8.360 nan 0.000 0.453 103 G N 1.531 110.335 108.800 0.007 0.000 2.440 103 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 103 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 103 G C 1.725 176.629 174.900 0.007 0.000 1.154 103 G CA 0.647 45.751 45.100 0.007 0.000 0.767 103 G HN 0.186 nan 8.290 nan 0.000 0.552 104 L N -0.311 120.916 121.223 0.007 0.000 2.141 104 L HA -0.009 4.331 4.340 0.000 0.000 0.209 104 L C 2.945 179.818 176.870 0.005 0.000 1.094 104 L CA 0.979 55.823 54.840 0.007 0.000 0.763 104 L CB -0.283 41.780 42.059 0.007 0.000 0.908 104 L HN 0.193 nan 8.230 nan 0.000 0.437 105 K N 0.195 120.598 120.400 0.004 0.000 2.026 105 K HA -0.159 4.161 4.320 0.000 0.000 0.208 105 K C 2.266 178.868 176.600 0.003 0.000 1.048 105 K CA 1.419 57.708 56.287 0.003 0.000 0.929 105 K CB -0.235 32.266 32.500 0.003 0.000 0.713 105 K HN 0.267 nan 8.250 nan 0.000 0.439 106 A N 0.952 123.775 122.820 0.004 0.000 1.908 106 A HA -0.151 4.169 4.320 0.000 0.000 0.218 106 A C 2.335 179.921 177.584 0.004 0.000 1.181 106 A CA 1.605 53.644 52.037 0.004 0.000 0.627 106 A CB -0.713 18.290 19.000 0.004 0.000 0.818 106 A HN 0.095 nan 8.150 nan 0.000 0.445 107 V N -0.221 119.696 119.914 0.005 0.000 2.295 107 V HA -0.255 3.865 4.120 0.000 0.000 0.246 107 V C 3.041 179.138 176.094 0.004 0.000 1.049 107 V CA 1.986 64.289 62.300 0.006 0.000 1.024 107 V CB -1.255 30.573 31.823 0.008 0.000 0.648 107 V HN 0.619 nan 8.190 nan 0.000 0.447 108 A N -0.097 122.725 122.820 0.004 0.000 2.019 108 A HA -0.037 4.283 4.320 0.000 0.000 0.219 108 A C 2.220 179.805 177.584 0.001 0.000 1.164 108 A CA 1.719 53.757 52.037 0.002 0.000 0.644 108 A CB -0.577 18.424 19.000 0.001 0.000 0.805 108 A HN 0.606 nan 8.150 nan 0.000 0.449 109 A N -1.795 121.026 122.820 0.001 0.000 2.235 109 A HA 0.399 4.719 4.320 0.000 0.000 0.208 109 A C 1.740 179.324 177.584 0.000 0.000 1.172 109 A CA 1.215 53.252 52.037 0.001 0.000 0.786 109 A CB -0.900 18.101 19.000 0.001 0.000 0.804 109 A HN 1.858 nan 8.150 nan 0.000 0.479 110 G N -1.805 106.996 108.800 0.001 0.000 2.141 110 G HA2 -0.224 3.736 3.960 0.000 0.000 0.231 110 G HA3 -0.224 3.736 3.960 0.000 0.000 0.231 110 G C 0.150 175.050 174.900 0.001 0.000 0.984 110 G CA 0.245 45.346 45.100 0.001 0.000 0.660 110 G HN 0.382 nan 8.290 nan 0.000 0.525 111 M N 0.459 120.060 119.600 0.002 0.000 2.255 111 M HA 0.253 4.733 4.480 0.000 0.000 0.336 111 M C 0.705 177.007 176.300 0.004 0.000 1.135 111 M CA -0.609 54.693 55.300 0.003 0.000 1.145 111 M CB 0.454 33.055 32.600 0.003 0.000 1.473 111 M HN 0.123 nan 8.290 nan 0.000 0.462 112 N N 2.562 121.265 118.700 0.004 0.000 2.438 112 N HA 0.073 4.813 4.740 0.000 0.000 0.267 112 N C -2.071 173.443 175.510 0.006 0.000 1.222 112 N CA -1.204 51.849 53.050 0.005 0.000 0.930 112 N CB 1.002 39.491 38.487 0.004 0.000 1.083 112 N HN 0.291 nan 8.380 nan 0.000 0.476 113 P HA -0.152 nan 4.420 nan 0.000 0.215 113 P C 1.686 178.991 177.300 0.009 0.000 1.157 113 P CA 1.453 64.558 63.100 0.010 0.000 0.874 113 P CB 0.198 31.906 31.700 0.013 0.000 0.790 114 M N -0.780 118.825 119.600 0.008 0.000 2.108 114 M HA -0.150 4.330 4.480 0.000 0.000 0.261 114 M C 1.572 177.875 176.300 0.005 0.000 1.066 114 M CA 1.702 57.006 55.300 0.007 0.000 1.107 114 M CB -1.845 30.759 32.600 0.007 0.000 1.356 114 M HN 0.002 nan 8.290 nan 0.000 0.406 115 D N 0.405 120.808 120.400 0.005 0.000 2.144 115 D HA -0.037 4.603 4.640 0.000 0.000 0.200 115 D C 2.345 178.647 176.300 0.003 0.000 0.978 115 D CA 0.885 54.887 54.000 0.003 0.000 0.833 115 D CB -0.088 40.714 40.800 0.003 0.000 0.961 115 D HN 0.331 nan 8.370 nan 0.000 0.470 116 L N 0.776 122.002 121.223 0.004 0.000 2.042 116 L HA -0.194 4.146 4.340 0.000 0.000 0.210 116 L C 2.543 179.416 176.870 0.004 0.000 1.076 116 L CA 1.206 56.048 54.840 0.004 0.000 0.749 116 L CB -0.309 41.753 42.059 0.006 0.000 0.893 116 L HN -0.014 nan 8.230 nan 0.000 0.432 117 K N 0.253 120.656 120.400 0.005 0.000 2.057 117 K HA -0.208 4.112 4.320 0.000 0.000 0.206 117 K C 2.322 178.924 176.600 0.002 0.000 1.050 117 K CA 1.166 57.456 56.287 0.004 0.000 0.935 117 K CB -0.011 32.492 32.500 0.006 0.000 0.715 117 K HN 0.071 nan 8.250 nan 0.000 0.439 118 R N -0.228 120.272 120.500 0.001 0.000 2.081 118 R HA -0.100 4.240 4.340 0.000 0.000 0.235 118 R C 2.292 178.591 176.300 -0.001 0.000 1.131 118 R CA 1.686 57.786 56.100 -0.000 0.000 0.960 118 R CB -0.505 29.795 30.300 0.000 0.000 0.856 118 R HN 0.422 nan 8.270 nan 0.000 0.436 119 G N 0.775 109.575 108.800 0.000 0.000 2.421 119 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 119 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 119 G C 1.434 176.334 174.900 -0.000 0.000 1.171 119 G CA 0.813 45.913 45.100 0.000 0.000 0.775 119 G HN 0.241 nan 8.290 nan 0.000 0.543 120 I N 1.098 121.669 120.570 0.001 0.000 2.163 120 I HA -0.173 3.997 4.170 0.000 0.000 0.243 120 I C 2.358 178.473 176.117 -0.003 0.000 1.085 120 I CA 1.390 62.690 61.300 0.000 0.000 1.347 120 I CB -0.217 37.785 38.000 0.002 0.000 1.044 120 I HN 0.069 nan 8.210 nan 0.000 0.408 121 D N 0.759 121.156 120.400 -0.005 0.000 2.117 121 D HA -0.222 4.418 4.640 0.000 0.000 0.197 121 D C 2.059 178.354 176.300 -0.010 0.000 0.987 121 D CA 1.265 55.258 54.000 -0.010 0.000 0.829 121 D CB -0.267 40.526 40.800 -0.010 0.000 0.961 121 D HN 0.300 nan 8.370 nan 0.000 0.460 122 K N 0.712 121.109 120.400 -0.006 0.000 2.057 122 K HA -0.100 4.220 4.320 0.000 0.000 0.207 122 K C 2.030 178.627 176.600 -0.005 0.000 1.049 122 K CA 1.320 57.603 56.287 -0.005 0.000 0.931 122 K CB -0.049 32.449 32.500 -0.003 0.000 0.714 122 K HN 0.025 nan 8.250 nan 0.000 0.440 123 A N 0.555 123.373 122.820 -0.003 0.000 1.933 123 A HA -0.104 4.216 4.320 0.000 0.000 0.218 123 A C 2.214 179.796 177.584 -0.003 0.000 1.175 123 A CA 1.630 53.666 52.037 -0.001 0.000 0.628 123 A CB -0.579 18.422 19.000 0.001 0.000 0.814 123 A HN 0.182 nan 8.150 nan 0.000 0.444 124 V N -0.357 119.553 119.914 -0.007 0.000 2.358 124 V HA -0.219 3.901 4.120 0.000 0.000 0.246 124 V C 2.733 178.818 176.094 -0.014 0.000 1.047 124 V CA 2.443 64.736 62.300 -0.011 0.000 1.035 124 V CB -1.316 30.497 31.823 -0.018 0.000 0.658 124 V HN 0.596 nan 8.190 nan 0.000 0.452 125 T N 0.533 115.078 114.554 -0.015 0.000 2.684 125 T HA -0.196 4.154 4.350 0.000 0.000 0.267 125 T C 2.091 176.786 174.700 -0.009 0.000 1.036 125 T CA 1.743 63.834 62.100 -0.015 0.000 1.148 125 T CB -0.484 68.376 68.868 -0.013 0.000 0.863 125 T HN 0.575 nan 8.240 nan 0.000 0.436 126 A N 1.590 124.406 122.820 -0.005 0.000 1.883 126 A HA 0.068 4.388 4.320 0.000 0.000 0.217 126 A C 2.680 180.264 177.584 -0.000 0.000 1.186 126 A CA 2.053 54.089 52.037 -0.002 0.000 0.624 126 A CB -1.251 17.749 19.000 0.000 0.000 0.822 126 A HN 0.522 nan 8.150 nan 0.000 0.444 127 A N -0.716 122.104 122.820 -0.000 0.000 1.940 127 A HA -0.032 4.288 4.320 0.000 0.000 0.219 127 A C 2.215 179.800 177.584 0.001 0.000 1.176 127 A CA 1.873 53.911 52.037 0.002 0.000 0.631 127 A CB -0.938 18.063 19.000 0.002 0.000 0.814 127 A HN 0.440 nan 8.150 nan 0.000 0.446 128 V N 0.099 120.010 119.914 -0.005 0.000 2.515 128 V HA -0.183 3.937 4.120 0.000 0.000 0.250 128 V C 2.555 178.647 176.094 -0.002 0.000 1.058 128 V CA 2.015 64.311 62.300 -0.006 0.000 1.064 128 V CB -0.626 31.187 31.823 -0.015 0.000 0.675 128 V HN 0.495 nan 8.190 nan 0.000 0.461 129 E N -0.049 120.150 120.200 -0.001 0.000 2.047 129 E HA -0.204 4.146 4.350 0.000 0.000 0.191 129 E C 2.236 178.839 176.600 0.005 0.000 0.987 129 E CA 1.042 57.443 56.400 0.001 0.000 0.799 129 E CB -0.218 29.483 29.700 0.001 0.000 0.752 129 E HN 0.548 nan 8.360 nan 0.000 0.449 130 E N 0.543 120.746 120.200 0.006 0.000 2.209 130 E HA -0.139 4.211 4.350 0.000 0.000 0.196 130 E C 1.856 178.463 176.600 0.012 0.000 0.993 130 E CA 0.317 56.722 56.400 0.010 0.000 0.819 130 E CB -0.175 29.531 29.700 0.011 0.000 0.745 130 E HN 0.046 nan 8.360 nan 0.000 0.477 131 L N 0.473 121.702 121.223 0.010 0.000 2.072 131 L HA -0.057 4.283 4.340 0.000 0.000 0.205 131 L C 1.820 178.697 176.870 0.012 0.000 1.079 131 L CA 1.703 56.550 54.840 0.012 0.000 0.752 131 L CB -0.268 41.796 42.059 0.009 0.000 0.906 131 L HN -0.007 nan 8.230 nan 0.000 0.436 132 K N -1.021 119.385 120.400 0.009 0.000 2.057 132 K HA -0.111 4.209 4.320 0.000 0.000 0.207 132 K C 2.092 178.699 176.600 0.011 0.000 1.049 132 K CA 1.259 57.551 56.287 0.009 0.000 0.931 132 K CB -0.322 32.183 32.500 0.007 0.000 0.714 132 K HN 0.374 nan 8.250 nan 0.000 0.440 133 A N 1.522 124.348 122.820 0.011 0.000 1.883 133 A HA -0.165 4.155 4.320 0.000 0.000 0.217 133 A C 2.090 179.683 177.584 0.015 0.000 1.186 133 A CA 1.244 53.288 52.037 0.012 0.000 0.624 133 A CB -0.705 18.302 19.000 0.012 0.000 0.822 133 A HN 0.234 nan 8.150 nan 0.000 0.444 134 L N -0.075 121.159 121.223 0.017 0.000 2.191 134 L HA -0.069 4.271 4.340 0.000 0.000 0.212 134 L C 1.388 178.270 176.870 0.020 0.000 1.103 134 L CA 0.584 55.437 54.840 0.021 0.000 0.769 134 L CB -0.295 41.779 42.059 0.024 0.000 0.908 134 L HN 0.418 nan 8.230 nan 0.000 0.438 135 S N -0.455 115.255 115.700 0.017 0.000 2.552 135 S HA 0.073 4.543 4.470 0.000 0.000 0.289 135 S C -0.184 174.426 174.600 0.016 0.000 1.304 135 S CA -0.457 57.753 58.200 0.016 0.000 1.063 135 S CB 0.599 63.808 63.200 0.014 0.000 0.848 135 S HN 0.031 nan 8.310 nan 0.000 0.499 136 V N 8.527 128.451 119.914 0.016 0.000 2.394 136 V HA 0.375 4.495 4.120 0.000 0.000 0.282 136 V C -2.024 174.078 176.094 0.013 0.000 1.031 136 V CA -1.837 60.472 62.300 0.015 0.000 0.881 136 V CB 1.250 33.083 31.823 0.015 0.000 0.982 136 V HN 0.762 nan 8.190 nan 0.000 0.451 137 P HA 0.144 nan 4.420 nan 0.000 0.270 137 P C -0.551 176.755 177.300 0.010 0.000 1.223 137 P CA -0.189 62.917 63.100 0.011 0.000 0.785 137 P CB 0.444 32.150 31.700 0.010 0.000 0.923 138 C N 2.043 121.349 119.300 0.010 0.000 3.498 138 C HA 0.395 4.855 4.460 0.000 0.000 0.218 138 C C 1.089 176.084 174.990 0.008 0.000 1.284 138 C CA 0.066 59.090 59.018 0.009 0.000 1.343 138 C CB -1.414 26.332 27.740 0.010 0.000 1.825 138 C HN 0.522 nan 8.230 nan 0.000 0.518 139 S N 1.243 116.947 115.700 0.007 0.000 2.514 139 S HA 0.109 4.579 4.470 0.000 0.000 0.223 139 S C 0.324 174.927 174.600 0.005 0.000 1.046 139 S CA 0.213 58.416 58.200 0.006 0.000 0.914 139 S CB 0.086 63.290 63.200 0.007 0.000 0.807 139 S HN 0.958 nan 8.310 nan 0.000 0.497 140 D N 0.828 121.230 120.400 0.004 0.000 2.332 140 D HA 0.307 4.947 4.640 0.000 0.000 0.252 140 D C 1.055 177.356 176.300 0.002 0.000 1.050 140 D CA -0.249 53.753 54.000 0.003 0.000 0.970 140 D CB 0.762 41.564 40.800 0.003 0.000 1.141 140 D HN 0.026 nan 8.370 nan 0.000 0.485 141 S N 0.372 116.072 115.700 0.001 0.000 2.419 141 S HA -0.277 4.193 4.470 0.000 0.000 0.233 141 S C 1.601 176.201 174.600 -0.000 0.000 1.016 141 S CA 1.139 59.339 58.200 -0.000 0.000 0.974 141 S CB -0.478 62.721 63.200 -0.001 0.000 0.786 141 S HN 0.618 nan 8.310 nan 0.000 0.492 142 K N 1.722 122.123 120.400 0.001 0.000 2.026 142 K HA -0.036 4.285 4.320 0.000 0.000 0.208 142 K C 2.339 178.940 176.600 0.002 0.000 1.048 142 K CA 1.248 57.535 56.287 0.001 0.000 0.929 142 K CB -0.653 31.848 32.500 0.002 0.000 0.713 142 K HN 0.437 nan 8.250 nan 0.000 0.439 143 A N 1.438 124.259 122.820 0.003 0.000 1.873 143 A HA -0.104 4.216 4.320 0.000 0.000 0.215 143 A C 2.110 179.696 177.584 0.003 0.000 1.186 143 A CA 1.433 53.472 52.037 0.004 0.000 0.616 143 A CB -0.622 18.381 19.000 0.005 0.000 0.823 143 A HN 0.357 nan 8.150 nan 0.000 0.442 144 I N -0.039 120.533 120.570 0.002 0.000 2.194 144 I HA -0.366 3.804 4.170 0.000 0.000 0.246 144 I C 2.938 179.055 176.117 -0.001 0.000 1.093 144 I CA 1.290 62.590 61.300 0.001 0.000 1.355 144 I CB -0.350 37.650 38.000 -0.000 0.000 1.046 144 I HN 0.389 nan 8.210 nan 0.000 0.413 145 A N 0.032 122.851 122.820 -0.001 0.000 1.873 145 A HA -0.230 4.090 4.320 0.000 0.000 0.215 145 A C 2.256 179.839 177.584 -0.002 0.000 1.186 145 A CA 1.393 53.428 52.037 -0.003 0.000 0.616 145 A CB -0.588 18.410 19.000 -0.003 0.000 0.823 145 A HN 0.451 nan 8.150 nan 0.000 0.442 146 Q N -0.391 119.409 119.800 -0.000 0.000 2.061 146 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 146 Q C 2.184 178.184 176.000 0.000 0.000 0.984 146 Q CA 1.904 57.707 55.803 0.000 0.000 0.846 146 Q CB -0.451 28.288 28.738 0.001 0.000 0.902 146 Q HN 0.492 nan 8.270 nan 0.000 0.421 147 V N 0.453 120.368 119.914 0.002 0.000 2.295 147 V HA -0.231 3.889 4.120 0.000 0.000 0.246 147 V C 2.266 178.361 176.094 0.003 0.000 1.049 147 V CA 2.033 64.335 62.300 0.004 0.000 1.024 147 V CB -1.296 30.531 31.823 0.006 0.000 0.648 147 V HN 0.569 nan 8.190 nan 0.000 0.447 148 G N -0.446 108.354 108.800 0.000 0.000 2.442 148 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 148 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 148 G C 1.671 176.569 174.900 -0.002 0.000 1.141 148 G CA 1.607 46.706 45.100 -0.002 0.000 0.763 148 G HN 0.493 nan 8.290 nan 0.000 0.554 149 T N 1.407 115.959 114.554 -0.003 0.000 2.708 149 T HA -0.039 4.311 4.350 0.000 0.000 0.266 149 T C 2.384 177.082 174.700 -0.003 0.000 1.037 149 T CA 1.002 63.099 62.100 -0.004 0.000 1.146 149 T CB -0.153 68.713 68.868 -0.004 0.000 0.865 149 T HN 0.276 nan 8.240 nan 0.000 0.435 150 I N 1.409 121.978 120.570 -0.002 0.000 2.286 150 I HA -0.162 4.008 4.170 0.000 0.000 0.248 150 I C 2.587 178.703 176.117 -0.001 0.000 1.115 150 I CA 0.978 62.276 61.300 -0.003 0.000 1.392 150 I CB -0.415 37.583 38.000 -0.003 0.000 1.065 150 I HN 0.200 nan 8.210 nan 0.000 0.418 151 S N 0.948 116.649 115.700 0.002 0.000 2.406 151 S HA -0.024 4.446 4.470 0.000 0.000 0.228 151 S C 1.956 176.559 174.600 0.005 0.000 1.020 151 S CA 1.070 59.274 58.200 0.007 0.000 0.965 151 S CB -0.225 62.983 63.200 0.012 0.000 0.798 151 S HN 0.519 nan 8.310 nan 0.000 0.488 152 A N 1.261 124.081 122.820 0.001 0.000 2.276 152 A HA 0.285 4.605 4.320 0.000 0.000 0.212 152 A C 0.755 178.338 177.584 -0.002 0.000 1.230 152 A CA 0.170 52.207 52.037 -0.000 0.000 0.844 152 A CB -0.781 18.217 19.000 -0.003 0.000 0.860 152 A HN 0.488 nan 8.150 nan 0.000 0.486 153 N N -1.035 117.664 118.700 -0.003 0.000 2.780 153 N HA -0.211 4.529 4.740 0.000 0.000 0.247 153 N C 0.131 175.637 175.510 -0.007 0.000 1.076 153 N CA 1.064 54.111 53.050 -0.005 0.000 0.688 153 N CB -1.905 36.579 38.487 -0.005 0.000 0.957 153 N HN 0.494 nan 8.380 nan 0.000 0.551 154 S N -1.602 114.094 115.700 -0.006 0.000 3.593 154 S HA -0.210 4.260 4.470 0.000 0.000 0.301 154 S C -0.463 174.134 174.600 -0.006 0.000 1.209 154 S CA 0.706 58.902 58.200 -0.007 0.000 0.878 154 S CB -1.107 62.088 63.200 -0.009 0.000 1.000 154 S HN 0.726 nan 8.310 nan 0.000 0.578 155 D N 1.364 121.761 120.400 -0.005 0.000 2.456 155 D HA 0.286 4.926 4.640 0.000 0.000 0.219 155 D C 1.105 177.402 176.300 -0.005 0.000 1.126 155 D CA -0.339 53.658 54.000 -0.005 0.000 0.890 155 D CB 0.461 41.258 40.800 -0.005 0.000 1.025 155 D HN 0.447 nan 8.370 nan 0.000 0.511 156 E N 1.044 121.241 120.200 -0.005 0.000 2.219 156 E HA -0.170 4.180 4.350 0.000 0.000 0.198 156 E C 1.363 177.960 176.600 -0.006 0.000 0.998 156 E CA 1.159 57.556 56.400 -0.005 0.000 0.818 156 E CB 0.303 30.001 29.700 -0.004 0.000 0.741 156 E HN 0.476 nan 8.360 nan 0.000 0.477 157 T N 0.720 115.270 114.554 -0.006 0.000 2.652 157 T HA -0.164 4.186 4.350 0.000 0.000 0.267 157 T C 2.113 176.809 174.700 -0.008 0.000 1.039 157 T CA 1.480 63.576 62.100 -0.007 0.000 1.153 157 T CB -0.317 68.547 68.868 -0.006 0.000 0.863 157 T HN 0.006 nan 8.240 nan 0.000 0.428 158 V N 1.511 121.420 119.914 -0.008 0.000 2.287 158 V HA -0.152 3.968 4.120 0.000 0.000 0.248 158 V C 2.898 178.985 176.094 -0.011 0.000 1.053 158 V CA 2.042 64.336 62.300 -0.011 0.000 1.027 158 V CB -1.551 30.266 31.823 -0.010 0.000 0.646 158 V HN 0.623 nan 8.190 nan 0.000 0.447 159 G N -0.372 108.423 108.800 -0.008 0.000 2.476 159 G HA2 -0.360 3.600 3.960 0.000 0.000 0.218 159 G HA3 -0.360 3.600 3.960 0.000 0.000 0.218 159 G C 1.645 176.540 174.900 -0.008 0.000 1.164 159 G CA 1.298 46.394 45.100 -0.008 0.000 0.768 159 G HN 0.513 nan 8.290 nan 0.000 0.560 160 K N -0.031 120.364 120.400 -0.007 0.000 2.009 160 K HA 0.004 4.324 4.320 0.000 0.000 0.210 160 K C 2.585 179.180 176.600 -0.009 0.000 1.049 160 K CA 1.040 57.323 56.287 -0.007 0.000 0.929 160 K CB -0.334 32.162 32.500 -0.006 0.000 0.714 160 K HN 0.339 nan 8.250 nan 0.000 0.440 161 L N 1.001 122.218 121.223 -0.011 0.000 1.990 161 L HA -0.256 4.084 4.340 0.000 0.000 0.213 161 L C 2.512 179.373 176.870 -0.016 0.000 1.072 161 L CA 1.536 56.368 54.840 -0.013 0.000 0.755 161 L CB -0.399 41.650 42.059 -0.015 0.000 0.889 161 L HN 0.298 nan 8.230 nan 0.000 0.432 162 I N -0.548 120.012 120.570 -0.018 0.000 2.264 162 I HA -0.315 3.855 4.170 0.000 0.000 0.248 162 I C 2.736 178.843 176.117 -0.016 0.000 1.111 162 I CA 1.194 62.481 61.300 -0.021 0.000 1.382 162 I CB -0.483 37.503 38.000 -0.023 0.000 1.060 162 I HN 0.257 nan 8.210 nan 0.000 0.418 163 A N 0.578 123.391 122.820 -0.012 0.000 1.898 163 A HA -0.202 4.118 4.320 0.000 0.000 0.216 163 A C 2.198 179.777 177.584 -0.008 0.000 1.181 163 A CA 1.553 53.585 52.037 -0.008 0.000 0.620 163 A CB -0.511 18.485 19.000 -0.006 0.000 0.819 163 A HN 0.457 nan 8.150 nan 0.000 0.442 164 E N -0.070 120.125 120.200 -0.009 0.000 2.072 164 E HA -0.093 4.257 4.350 0.000 0.000 0.191 164 E C 2.328 178.922 176.600 -0.010 0.000 0.985 164 E CA 0.895 57.290 56.400 -0.008 0.000 0.801 164 E CB -0.317 29.378 29.700 -0.008 0.000 0.750 164 E HN 0.607 nan 8.360 nan 0.000 0.452 165 A N 1.501 124.313 122.820 -0.013 0.000 1.877 165 A HA -0.186 4.134 4.320 0.000 0.000 0.216 165 A C 2.205 179.782 177.584 -0.012 0.000 1.186 165 A CA 1.468 53.496 52.037 -0.014 0.000 0.620 165 A CB -0.480 18.508 19.000 -0.020 0.000 0.822 165 A HN 0.132 nan 8.150 nan 0.000 0.443 166 M N -1.032 118.561 119.600 -0.012 0.000 2.296 166 M HA -0.128 4.352 4.480 0.000 0.000 0.265 166 M C 1.759 178.055 176.300 -0.006 0.000 1.064 166 M CA 1.739 57.034 55.300 -0.009 0.000 1.109 166 M CB -0.499 32.097 32.600 -0.008 0.000 1.396 166 M HN 0.479 nan 8.290 nan 0.000 0.430 167 D N 0.641 121.038 120.400 -0.006 0.000 2.178 167 D HA -0.120 4.520 4.640 0.000 0.000 0.202 167 D C 1.984 178.282 176.300 -0.004 0.000 0.974 167 D CA 1.095 55.093 54.000 -0.004 0.000 0.841 167 D CB 0.279 41.077 40.800 -0.004 0.000 0.953 167 D HN 0.032 nan 8.370 nan 0.000 0.478 168 K N -0.197 120.200 120.400 -0.005 0.000 2.031 168 K HA -0.004 4.316 4.320 0.000 0.000 0.205 168 K C 1.834 178.431 176.600 -0.004 0.000 1.049 168 K CA 1.174 57.458 56.287 -0.005 0.000 0.939 168 K CB -0.179 32.317 32.500 -0.006 0.000 0.717 168 K HN 0.298 nan 8.250 nan 0.000 0.438 169 V N -3.043 116.868 119.914 -0.005 0.000 3.380 169 V HA 0.438 4.558 4.120 0.000 0.000 0.307 169 V C 0.444 176.537 176.094 -0.002 0.000 1.434 169 V CA 0.060 62.358 62.300 -0.003 0.000 1.075 169 V CB -0.222 31.599 31.823 -0.004 0.000 0.954 169 V HN 0.341 nan 8.190 nan 0.000 0.444 170 G N 2.103 110.901 108.800 -0.002 0.000 2.712 170 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 170 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 170 G C 0.054 174.954 174.900 -0.001 0.000 1.321 170 G CA -0.138 44.962 45.100 -0.001 0.000 0.813 170 G HN 0.643 nan 8.290 nan 0.000 0.599 171 K N -0.144 120.256 120.400 0.001 0.000 2.525 171 K HA 0.117 4.437 4.320 0.000 0.000 0.192 171 K C 0.549 177.151 176.600 0.004 0.000 1.029 171 K CA 1.083 57.371 56.287 0.001 0.000 1.029 171 K CB 0.526 33.028 32.500 0.003 0.000 0.814 171 K HN 0.431 nan 8.250 nan 0.000 0.503 172 E N 1.190 121.393 120.200 0.005 0.000 2.660 172 E HA 0.119 4.469 4.350 0.000 0.000 0.216 172 E C 0.369 176.973 176.600 0.007 0.000 0.986 172 E CA -0.086 56.319 56.400 0.008 0.000 1.037 172 E CB 1.214 30.920 29.700 0.010 0.000 1.041 172 E HN 0.366 nan 8.360 nan 0.000 0.480 173 G N 0.609 109.410 108.800 0.003 0.000 2.477 173 G HA2 0.362 4.322 3.960 0.000 0.000 0.304 173 G HA3 0.362 4.322 3.960 0.000 0.000 0.304 173 G C 0.098 174.997 174.900 -0.002 0.000 1.175 173 G CA -0.450 44.651 45.100 0.002 0.000 0.907 173 G HN -0.057 nan 8.290 nan 0.000 0.509 174 V N 1.116 121.030 119.914 0.000 0.000 2.521 174 V HA 0.248 4.368 4.120 0.000 0.000 0.286 174 V C 0.268 176.353 176.094 -0.014 0.000 1.034 174 V CA 0.434 62.731 62.300 -0.005 0.000 1.045 174 V CB 0.272 32.096 31.823 0.002 0.000 0.974 174 V HN 0.420 nan 8.190 nan 0.000 0.480 175 I N 4.240 124.795 120.570 -0.026 0.000 2.534 175 I HA 0.476 4.646 4.170 0.000 0.000 0.288 175 I C -0.156 175.933 176.117 -0.046 0.000 1.077 175 I CA -0.202 61.077 61.300 -0.035 0.000 1.051 175 I CB 2.402 40.375 38.000 -0.044 0.000 1.234 175 I HN 0.536 nan 8.210 nan 0.000 0.425 176 T N 4.785 119.316 114.554 -0.039 0.000 2.924 176 T HA 0.642 4.992 4.350 0.000 0.000 0.291 176 T C -0.562 174.115 174.700 -0.038 0.000 1.045 176 T CA -0.660 61.417 62.100 -0.039 0.000 1.015 176 T CB 2.569 71.421 68.868 -0.026 0.000 1.103 176 T HN 0.447 nan 8.240 nan 0.000 0.496 177 V N -0.453 119.439 119.914 -0.037 0.000 2.680 177 V HA 0.877 4.997 4.120 0.000 0.000 0.309 177 V C -1.006 175.076 176.094 -0.020 0.000 1.052 177 V CA -0.773 61.508 62.300 -0.031 0.000 0.908 177 V CB 1.806 33.606 31.823 -0.037 0.000 1.001 177 V HN 0.957 nan 8.190 nan 0.000 0.431 178 E N 1.642 121.832 120.200 -0.016 0.000 2.429 178 E HA 0.410 4.760 4.350 0.000 0.000 0.276 178 E C -1.653 174.941 176.600 -0.010 0.000 0.953 178 E CA -1.034 55.359 56.400 -0.012 0.000 0.787 178 E CB 1.802 31.495 29.700 -0.012 0.000 1.307 178 E HN 0.793 nan 8.360 nan 0.000 0.458 179 D N 1.013 121.409 120.400 -0.007 0.000 2.443 179 D HA 0.155 4.795 4.640 0.000 0.000 0.239 179 D C 0.258 176.553 176.300 -0.008 0.000 1.136 179 D CA 0.373 54.369 54.000 -0.006 0.000 0.879 179 D CB 0.923 41.720 40.800 -0.005 0.000 1.195 179 D HN 0.501 nan 8.370 nan 0.000 0.443 180 G N -0.381 108.415 108.800 -0.007 0.000 2.580 180 G HA2 0.262 4.222 3.960 0.000 0.000 0.278 180 G HA3 0.262 4.222 3.960 0.000 0.000 0.278 180 G C 1.025 175.921 174.900 -0.007 0.000 1.212 180 G CA -0.203 44.892 45.100 -0.008 0.000 0.939 180 G HN 0.448 nan 8.290 nan 0.000 0.513 181 T N -3.357 111.192 114.554 -0.007 0.000 3.113 181 T HA 0.425 4.775 4.350 0.000 0.000 0.256 181 T C 1.027 175.723 174.700 -0.006 0.000 1.131 181 T CA 0.721 62.817 62.100 -0.007 0.000 1.074 181 T CB -0.075 68.789 68.868 -0.007 0.000 0.944 181 T HN 2.095 nan 8.240 nan 0.000 0.516 182 G N 1.594 110.390 108.800 -0.006 0.000 3.160 182 G HA2 0.315 4.275 3.960 0.000 0.000 0.573 182 G HA3 0.315 4.275 3.960 0.000 0.000 0.573 182 G C -0.750 174.147 174.900 -0.005 0.000 1.286 182 G CA -0.699 44.398 45.100 -0.005 0.000 1.151 182 G HN 0.744 nan 8.290 nan 0.000 0.555 183 L N 1.047 122.267 121.223 -0.005 0.000 1.712 183 L HA -0.173 4.167 4.340 0.000 0.000 0.402 183 L C 0.284 177.151 176.870 -0.005 0.000 1.004 183 L CA 2.330 57.167 54.840 -0.004 0.000 1.208 183 L CB -0.555 41.502 42.059 -0.004 0.000 0.528 183 L HN 1.933 nan 8.230 nan 0.000 0.369 184 Q N 2.306 122.103 119.800 -0.005 0.000 3.120 184 Q HA -0.074 4.266 4.340 0.000 0.000 0.070 184 Q C -0.585 175.411 176.000 -0.006 0.000 1.644 184 Q CA 0.852 56.652 55.803 -0.005 0.000 0.291 184 Q CB -0.121 28.614 28.738 -0.005 0.000 0.583 184 Q HN 0.688 nan 8.270 nan 0.000 0.322 185 D N 2.507 122.903 120.400 -0.007 0.000 2.377 185 D HA 0.305 4.945 4.640 0.000 0.000 0.245 185 D C -0.027 176.269 176.300 -0.008 0.000 1.196 185 D CA 0.180 54.175 54.000 -0.008 0.000 0.962 185 D CB 0.720 41.514 40.800 -0.009 0.000 1.127 185 D HN 0.358 nan 8.370 nan 0.000 0.471 186 E N -0.223 119.972 120.200 -0.009 0.000 2.304 186 E HA 0.408 4.758 4.350 0.000 0.000 0.277 186 E C -1.295 175.298 176.600 -0.010 0.000 0.898 186 E CA -0.769 55.625 56.400 -0.009 0.000 0.764 186 E CB 2.345 32.040 29.700 -0.009 0.000 1.216 186 E HN 0.075 nan 8.360 nan 0.000 0.419 187 L N 3.195 124.412 121.223 -0.010 0.000 2.349 187 L HA 0.538 4.878 4.340 0.000 0.000 0.278 187 L C -1.673 175.192 176.870 -0.009 0.000 0.996 187 L CA -0.154 54.679 54.840 -0.011 0.000 0.825 187 L CB 1.134 43.187 42.059 -0.011 0.000 1.243 187 L HN 0.424 nan 8.230 nan 0.000 0.412 188 D N 4.255 124.649 120.400 -0.010 0.000 2.732 188 D HA 0.485 5.125 4.640 0.000 0.000 0.229 188 D C -1.096 175.199 176.300 -0.008 0.000 1.152 188 D CA -0.266 53.729 54.000 -0.008 0.000 0.854 188 D CB 2.780 43.575 40.800 -0.008 0.000 1.590 188 D HN 0.261 nan 8.370 nan 0.000 0.468 189 V N 1.300 121.211 119.914 -0.006 0.000 2.384 189 V HA 0.498 4.618 4.120 0.000 0.000 0.287 189 V C 0.484 176.575 176.094 -0.004 0.000 1.020 189 V CA -0.650 61.647 62.300 -0.005 0.000 0.850 189 V CB 1.368 33.189 31.823 -0.004 0.000 0.987 189 V HN 0.503 nan 8.190 nan 0.000 0.436 190 V N 1.409 121.321 119.914 -0.003 0.000 3.164 190 V HA 0.712 4.832 4.120 0.000 0.000 0.313 190 V C -0.366 175.729 176.094 0.002 0.000 1.188 190 V CA -1.062 61.237 62.300 -0.002 0.000 1.058 190 V CB 2.148 33.969 31.823 -0.003 0.000 1.110 190 V HN 0.634 nan 8.190 nan 0.000 0.453 191 E N 1.334 121.535 120.200 0.003 0.000 2.299 191 E HA 0.621 4.971 4.350 0.000 0.000 0.272 191 E C 0.190 176.797 176.600 0.012 0.000 1.043 191 E CA 0.804 57.208 56.400 0.007 0.000 0.895 191 E CB 0.803 30.506 29.700 0.006 0.000 1.011 191 E HN 1.165 nan 8.360 nan 0.000 0.432 192 G N 1.435 110.245 108.800 0.017 0.000 2.606 192 G HA2 0.640 4.600 3.960 0.000 0.000 0.300 192 G HA3 0.640 4.600 3.960 0.000 0.000 0.300 192 G C -1.171 173.753 174.900 0.040 0.000 1.360 192 G CA -0.580 44.536 45.100 0.027 0.000 0.783 192 G HN 0.407 nan 8.290 nan 0.000 0.484 193 M N -0.599 119.038 119.600 0.062 0.000 2.833 193 M HA 0.613 5.093 4.480 0.000 0.000 0.270 193 M C -2.362 174.009 176.300 0.119 0.000 1.209 193 M CA -0.683 54.672 55.300 0.091 0.000 0.826 193 M CB 2.433 35.098 32.600 0.109 0.000 1.657 193 M HN 0.752 nan 8.290 nan 0.000 0.492 194 Q N 2.558 122.446 119.800 0.146 0.000 2.281 194 Q HA 0.599 4.939 4.340 0.000 0.000 0.263 194 Q C -2.268 173.849 176.000 0.195 0.000 0.989 194 Q CA -0.654 55.206 55.803 0.096 0.000 0.852 194 Q CB 1.917 30.662 28.738 0.012 0.000 1.337 194 Q HN 0.569 nan 8.270 nan 0.000 0.418 195 F N -0.146 119.806 119.950 0.002 0.000 2.611 195 F HA 0.579 5.106 4.527 0.000 0.000 0.324 195 F C -0.436 175.366 175.800 0.003 0.000 1.061 195 F CA -1.319 56.684 58.000 0.005 0.000 0.954 195 F CB 1.012 40.016 39.000 0.008 0.000 1.301 195 F HN 0.294 nan 8.300 nan 0.000 0.482 196 D N 2.699 123.197 120.400 0.163 0.000 2.619 196 D HA 0.212 4.852 4.640 0.000 0.000 0.224 196 D C -0.353 175.988 176.300 0.067 0.000 1.133 196 D CA 0.251 54.283 54.000 0.053 0.000 1.017 196 D CB -0.074 40.768 40.800 0.069 0.000 1.077 196 D HN 0.289 nan 8.370 nan 0.000 0.503 197 R N 0.400 120.876 120.500 -0.041 0.000 2.510 197 R HA 0.449 4.789 4.340 0.000 0.000 0.287 197 R C 0.229 176.444 176.300 -0.142 0.000 1.084 197 R CA -0.688 55.414 56.100 0.003 0.000 0.934 197 R CB 1.931 32.369 30.300 0.231 0.000 1.201 197 R HN 0.229 nan 8.270 nan 0.000 0.431 198 G N 1.273 109.982 108.800 -0.150 0.000 2.537 198 G HA2 0.405 4.365 3.960 0.000 0.000 0.297 198 G HA3 0.405 4.365 3.960 0.000 0.000 0.297 198 G C -0.509 174.294 174.900 -0.163 0.000 1.310 198 G CA -0.496 44.427 45.100 -0.295 0.000 1.027 198 G HN 0.440 nan 8.290 nan 0.000 0.505 199 Y N -1.340 118.993 120.300 0.054 0.000 2.683 199 Y HA 0.235 4.785 4.550 0.000 0.000 0.340 199 Y C 1.158 177.166 175.900 0.181 0.000 1.245 199 Y CA -1.081 57.103 58.100 0.140 0.000 1.485 199 Y CB 0.295 38.884 38.460 0.215 0.000 1.328 199 Y HN 0.184 nan 8.280 nan 0.000 0.603 200 L N 2.356 123.882 121.223 0.505 0.000 2.650 200 L HA 0.093 4.433 4.340 0.000 0.000 0.235 200 L C 0.279 177.359 176.870 0.350 0.000 1.149 200 L CA 0.942 56.013 54.840 0.384 0.000 0.887 200 L CB -0.712 41.556 42.059 0.350 0.000 1.021 200 L HN 0.913 nan 8.230 nan 0.000 0.441 201 S N -3.243 112.699 115.700 0.402 0.000 2.751 201 S HA 0.233 4.703 4.470 0.000 0.000 0.289 201 S C -2.924 171.522 174.600 -0.255 0.000 0.965 201 S CA -1.152 57.094 58.200 0.077 0.000 0.855 201 S CB 0.804 63.969 63.200 -0.058 0.000 1.068 201 S HN -0.247 nan 8.310 nan 0.000 0.462 202 P HA 0.444 nan 4.420 nan 0.000 0.335 202 P C 0.297 177.265 177.300 -0.553 0.000 1.379 202 P CA 0.601 63.230 63.100 -0.785 0.000 0.794 202 P CB -0.103 31.162 31.700 -0.725 0.000 1.849 203 Y N -4.909 115.199 120.300 -0.319 0.000 2.884 203 Y HA -0.298 4.252 4.550 0.000 0.000 0.483 203 Y C 1.882 177.685 175.900 -0.161 0.000 1.209 203 Y CA 1.407 59.352 58.100 -0.258 0.000 2.681 203 Y CB -2.983 35.263 38.460 -0.356 0.000 0.894 203 Y HN 0.099 nan 8.280 nan 0.000 0.529 204 F N 0.406 120.348 119.950 -0.013 0.000 2.216 204 F HA -0.020 4.507 4.527 -0.000 0.000 0.300 204 F C 1.547 177.310 175.800 -0.061 0.000 1.085 204 F CA 0.615 58.600 58.000 -0.023 0.000 1.326 204 F CB -0.621 38.366 39.000 -0.021 0.000 1.027 204 F HN -0.026 nan 8.300 nan 0.000 0.497 205 I N 2.557 123.133 120.570 0.011 0.000 2.943 205 I HA -0.221 3.949 4.170 0.000 0.000 0.296 205 I C 0.534 176.663 176.117 0.019 0.000 1.220 205 I CA 0.583 61.865 61.300 -0.031 0.000 1.409 205 I CB -0.068 37.844 38.000 -0.147 0.000 1.374 205 I HN 0.232 nan 8.210 nan 0.000 0.545 206 N N 5.487 124.210 118.700 0.040 0.000 2.200 206 N HA 0.107 4.847 4.740 0.000 0.000 0.224 206 N C -0.222 175.304 175.510 0.026 0.000 1.179 206 N CA -0.286 52.786 53.050 0.037 0.000 0.877 206 N CB 0.549 39.064 38.487 0.046 0.000 1.072 206 N HN 0.406 nan 8.380 nan 0.000 0.519 207 K N 1.020 121.434 120.400 0.023 0.000 3.098 207 K HA 0.201 4.521 4.320 0.000 0.000 0.170 207 K C -2.203 174.406 176.600 0.016 0.000 1.106 207 K CA -1.242 55.057 56.287 0.021 0.000 0.864 207 K CB 2.167 34.683 32.500 0.027 0.000 1.047 207 K HN -0.021 nan 8.250 nan 0.000 0.609 208 P HA -0.222 nan 4.420 nan 0.000 0.217 208 P C 0.505 177.806 177.300 0.001 0.000 1.148 208 P CA 1.487 64.583 63.100 -0.005 0.000 0.834 208 P CB 0.488 32.181 31.700 -0.010 0.000 0.783 209 E N -0.154 120.051 120.200 0.007 0.000 2.085 209 E HA -0.121 4.229 4.350 0.000 0.000 0.194 209 E C 1.718 178.326 176.600 0.013 0.000 0.994 209 E CA 1.949 58.354 56.400 0.008 0.000 0.801 209 E CB -1.266 28.440 29.700 0.011 0.000 0.743 209 E HN 0.327 nan 8.360 nan 0.000 0.453 210 T N -1.303 113.264 114.554 0.021 0.000 3.054 210 T HA 0.294 4.644 4.350 0.000 0.000 0.255 210 T C 1.037 175.761 174.700 0.041 0.000 1.035 210 T CA 0.207 62.325 62.100 0.031 0.000 0.941 210 T CB 0.652 69.545 68.868 0.041 0.000 1.026 210 T HN 0.344 nan 8.240 nan 0.000 0.533 211 G N 1.909 110.730 108.800 0.036 0.000 2.338 211 G HA2 0.027 3.987 3.960 0.000 0.000 0.296 211 G HA3 0.027 3.987 3.960 0.000 0.000 0.296 211 G C 0.052 175.029 174.900 0.129 0.000 1.040 211 G CA 0.110 45.243 45.100 0.056 0.000 1.004 211 G HN 0.927 nan 8.290 nan 0.000 0.509 212 A N -1.161 121.720 122.820 0.101 0.000 2.469 212 A HA 0.905 5.225 4.320 0.000 0.000 0.299 212 A C -0.271 177.378 177.584 0.109 0.000 1.098 212 A CA -0.406 51.713 52.037 0.135 0.000 0.737 212 A CB 2.150 21.201 19.000 0.086 0.000 1.312 212 A HN 1.211 nan 8.150 nan 0.000 0.414 213 V N 1.170 121.166 119.914 0.137 0.000 2.398 213 V HA 0.504 4.624 4.120 0.000 0.000 0.286 213 V C -0.032 176.096 176.094 0.056 0.000 1.026 213 V CA -0.305 62.054 62.300 0.100 0.000 0.868 213 V CB 1.230 33.132 31.823 0.131 0.000 0.982 213 V HN 0.910 nan 8.190 nan 0.000 0.443 214 E N 4.834 125.057 120.200 0.037 0.000 2.220 214 E HA 0.564 4.914 4.350 0.000 0.000 0.256 214 E C -1.593 175.012 176.600 0.009 0.000 0.881 214 E CA -0.528 55.883 56.400 0.019 0.000 0.766 214 E CB 1.366 31.076 29.700 0.018 0.000 1.187 214 E HN 0.630 nan 8.360 nan 0.000 0.419 215 L N 3.451 124.673 121.223 -0.001 0.000 2.329 215 L HA 0.499 4.839 4.340 0.000 0.000 0.279 215 L C -0.173 176.685 176.870 -0.019 0.000 1.014 215 L CA -0.791 54.043 54.840 -0.010 0.000 0.814 215 L CB 1.779 43.829 42.059 -0.015 0.000 1.257 215 L HN 0.475 nan 8.230 nan 0.000 0.424 216 E N 1.372 121.556 120.200 -0.026 0.000 2.158 216 E HA 0.300 4.650 4.350 0.000 0.000 0.271 216 E C -0.408 176.153 176.600 -0.065 0.000 0.911 216 E CA -0.540 55.838 56.400 -0.037 0.000 0.767 216 E CB 1.581 31.264 29.700 -0.029 0.000 1.120 216 E HN 0.615 nan 8.360 nan 0.000 0.405 217 S N 1.915 117.567 115.700 -0.080 0.000 3.628 217 S HA -0.126 4.344 4.470 0.000 0.000 0.373 217 S C -2.158 172.323 174.600 -0.198 0.000 0.968 217 S CA 0.339 58.460 58.200 -0.133 0.000 1.215 217 S CB -1.434 61.684 63.200 -0.136 0.000 0.912 217 S HN 0.503 nan 8.310 nan 0.000 0.495 218 P HA 0.547 nan 4.420 nan 0.000 0.282 218 P C -0.041 177.176 177.300 -0.138 0.000 1.259 218 P CA -0.652 62.373 63.100 -0.125 0.000 0.826 218 P CB 0.593 32.273 31.700 -0.034 0.000 1.064 219 F N 0.787 120.736 119.950 -0.001 0.000 2.370 219 F HA 0.425 4.952 4.527 0.000 0.000 0.319 219 F C 0.944 176.745 175.800 0.001 0.000 1.129 219 F CA -0.177 57.823 58.000 0.001 0.000 1.109 219 F CB 0.526 39.526 39.000 -0.000 0.000 1.262 219 F HN 0.071 nan 8.300 nan 0.000 0.534 220 I N 3.330 124.043 120.570 0.238 0.000 2.500 220 I HA 0.216 4.386 4.170 0.000 0.000 0.286 220 I C -1.466 174.703 176.117 0.087 0.000 1.063 220 I CA -0.833 60.543 61.300 0.126 0.000 1.062 220 I CB 1.861 39.918 38.000 0.095 0.000 1.223 220 I HN 0.221 nan 8.210 nan 0.000 0.435 221 L N 8.202 129.460 121.223 0.058 0.000 2.264 221 L HA 0.525 4.865 4.340 0.000 0.000 0.289 221 L C -1.081 175.801 176.870 0.021 0.000 1.044 221 L CA 0.049 54.904 54.840 0.026 0.000 0.807 221 L CB 0.811 42.877 42.059 0.012 0.000 1.192 221 L HN 0.459 nan 8.230 nan 0.000 0.425 222 L N 6.452 127.680 121.223 0.009 0.000 2.277 222 L HA 0.742 5.083 4.340 0.000 0.000 0.284 222 L C -0.089 176.778 176.870 -0.005 0.000 1.028 222 L CA -0.449 54.389 54.840 -0.002 0.000 0.835 222 L CB 1.222 43.273 42.059 -0.013 0.000 1.215 222 L HN 0.807 nan 8.230 nan 0.000 0.425 223 A N 1.729 124.549 122.820 -0.000 0.000 2.311 223 A HA 0.355 4.675 4.320 0.000 0.000 0.306 223 A C -0.434 177.151 177.584 0.001 0.000 1.189 223 A CA -0.534 51.504 52.037 0.001 0.000 0.791 223 A CB 0.913 19.918 19.000 0.008 0.000 1.172 223 A HN 0.690 nan 8.150 nan 0.000 0.481 224 D N 2.551 122.949 120.400 -0.003 0.000 2.801 224 D HA 0.297 4.937 4.640 0.000 0.000 0.232 224 D C 0.218 176.522 176.300 0.007 0.000 1.128 224 D CA 0.425 54.423 54.000 -0.002 0.000 1.003 224 D CB -0.557 40.238 40.800 -0.009 0.000 1.110 224 D HN 0.625 nan 8.370 nan 0.000 0.477 225 K N -1.108 119.300 120.400 0.013 0.000 2.672 225 K HA 0.368 4.688 4.320 0.000 0.000 0.295 225 K C -1.206 175.409 176.600 0.026 0.000 1.042 225 K CA -1.199 55.099 56.287 0.018 0.000 0.869 225 K CB 0.859 33.368 32.500 0.014 0.000 1.541 225 K HN -0.204 nan 8.250 nan 0.000 0.396 226 K N 1.119 121.536 120.400 0.028 0.000 2.156 226 K HA 0.445 4.765 4.320 0.000 0.000 0.271 226 K C -0.634 175.984 176.600 0.031 0.000 0.995 226 K CA -0.607 55.700 56.287 0.034 0.000 0.890 226 K CB 1.178 33.698 32.500 0.034 0.000 1.073 226 K HN 0.380 nan 8.250 nan 0.000 0.454 227 I N 2.308 122.901 120.570 0.037 0.000 2.312 227 I HA 0.066 4.236 4.170 0.000 0.000 0.290 227 I C 0.552 176.690 176.117 0.036 0.000 1.008 227 I CA 0.000 61.321 61.300 0.035 0.000 1.226 227 I CB 1.612 39.635 38.000 0.039 0.000 1.371 227 I HN 0.691 nan 8.210 nan 0.000 0.468 228 S N 3.611 119.328 115.700 0.028 0.000 2.655 228 S HA 0.072 4.542 4.470 0.000 0.000 0.231 228 S C 0.860 175.473 174.600 0.023 0.000 1.044 228 S CA 0.098 58.314 58.200 0.026 0.000 0.910 228 S CB 0.121 63.334 63.200 0.021 0.000 0.833 228 S HN 0.638 nan 8.310 nan 0.000 0.581 229 N N 2.176 120.887 118.700 0.019 0.000 2.439 229 N HA 0.200 4.940 4.740 0.000 0.000 0.243 229 N C 0.257 175.777 175.510 0.017 0.000 1.088 229 N CA -0.015 53.044 53.050 0.015 0.000 0.940 229 N CB 0.492 38.986 38.487 0.011 0.000 1.180 229 N HN 0.296 nan 8.380 nan 0.000 0.505 230 I N 3.203 123.785 120.570 0.019 0.000 3.164 230 I HA -0.177 3.993 4.170 0.000 0.000 0.278 230 I C 1.924 178.050 176.117 0.015 0.000 1.320 230 I CA 0.512 61.825 61.300 0.021 0.000 1.422 230 I CB 0.114 38.129 38.000 0.025 0.000 1.066 230 I HN 0.438 nan 8.210 nan 0.000 0.503 231 R N 0.930 121.436 120.500 0.010 0.000 2.073 231 R HA -0.177 4.163 4.340 0.000 0.000 0.234 231 R C 2.000 178.303 176.300 0.004 0.000 1.134 231 R CA 1.613 57.717 56.100 0.006 0.000 0.952 231 R CB -0.213 30.090 30.300 0.005 0.000 0.850 231 R HN 0.418 nan 8.270 nan 0.000 0.433 232 E N -0.565 119.638 120.200 0.005 0.000 2.147 232 E HA -0.271 4.079 4.350 0.000 0.000 0.199 232 E C 1.783 178.383 176.600 0.000 0.000 1.005 232 E CA 1.418 57.820 56.400 0.003 0.000 0.810 232 E CB -0.063 29.640 29.700 0.005 0.000 0.736 232 E HN 0.296 nan 8.360 nan 0.000 0.460 233 M N 0.037 119.639 119.600 0.004 0.000 2.156 233 M HA -0.086 4.394 4.480 0.000 0.000 0.264 233 M C 2.394 178.692 176.300 -0.004 0.000 1.067 233 M CA 1.006 56.307 55.300 0.002 0.000 1.131 233 M CB -0.929 31.679 32.600 0.012 0.000 1.368 233 M HN 0.162 nan 8.290 nan 0.000 0.416 234 L N 0.485 121.708 121.223 0.000 0.000 2.064 234 L HA -0.306 4.034 4.340 0.000 0.000 0.234 234 L C -0.216 176.648 176.870 -0.010 0.000 1.103 234 L CA 2.322 57.160 54.840 -0.002 0.000 0.824 234 L CB -2.869 39.190 42.059 -0.001 0.000 0.919 234 L HN 0.199 nan 8.230 nan 0.000 0.447 235 P HA -0.153 nan 4.420 nan 0.000 0.216 235 P C 1.760 179.040 177.300 -0.034 0.000 1.153 235 P CA 1.875 64.963 63.100 -0.022 0.000 0.858 235 P CB -0.063 31.624 31.700 -0.021 0.000 0.789 236 V N 0.103 119.994 119.914 -0.039 0.000 2.346 236 V HA -0.168 3.952 4.120 0.000 0.000 0.244 236 V C 2.910 178.970 176.094 -0.058 0.000 1.037 236 V CA 1.292 63.555 62.300 -0.063 0.000 1.029 236 V CB -1.355 30.431 31.823 -0.061 0.000 0.663 236 V HN -0.026 nan 8.190 nan 0.000 0.454 237 L N 0.111 121.318 121.223 -0.028 0.000 2.079 237 L HA -0.223 4.117 4.340 0.000 0.000 0.210 237 L C 2.672 179.538 176.870 -0.007 0.000 1.081 237 L CA 2.011 56.846 54.840 -0.009 0.000 0.752 237 L CB -0.525 41.539 42.059 0.007 0.000 0.896 237 L HN 0.451 nan 8.230 nan 0.000 0.433 238 E N 0.223 120.416 120.200 -0.012 0.000 2.110 238 E HA -0.250 4.100 4.350 0.000 0.000 0.193 238 E C 2.202 178.794 176.600 -0.013 0.000 0.988 238 E CA 1.155 57.551 56.400 -0.007 0.000 0.804 238 E CB 0.038 29.732 29.700 -0.009 0.000 0.745 238 E HN 0.482 nan 8.360 nan 0.000 0.458 239 A N 0.429 123.226 122.820 -0.037 0.000 1.902 239 A HA -0.125 4.196 4.320 0.000 0.000 0.217 239 A C 2.346 179.900 177.584 -0.049 0.000 1.181 239 A CA 1.383 53.384 52.037 -0.059 0.000 0.623 239 A CB -0.510 18.424 19.000 -0.109 0.000 0.818 239 A HN 0.223 nan 8.150 nan 0.000 0.443 240 V N -0.198 119.685 119.914 -0.052 0.000 2.667 240 V HA -0.151 3.969 4.120 0.000 0.000 0.252 240 V C 2.937 179.083 176.094 0.087 0.000 1.065 240 V CA 1.418 63.740 62.300 0.036 0.000 1.083 240 V CB -1.130 30.722 31.823 0.048 0.000 0.692 240 V HN 0.613 nan 8.190 nan 0.000 0.468 241 A N 0.042 122.889 122.820 0.045 0.000 1.851 241 A HA -0.174 4.146 4.320 0.000 0.000 0.216 241 A C 1.584 179.198 177.584 0.051 0.000 1.195 241 A CA 1.325 53.389 52.037 0.044 0.000 0.622 241 A CB -0.289 18.727 19.000 0.026 0.000 0.831 241 A HN 0.538 nan 8.150 nan 0.000 0.444 242 K N -2.750 117.675 120.400 0.043 0.000 2.143 242 K HA 0.392 4.712 4.320 0.000 0.000 0.239 242 K C 1.104 177.752 176.600 0.080 0.000 1.048 242 K CA 0.253 56.567 56.287 0.046 0.000 0.867 242 K CB 0.047 32.566 32.500 0.032 0.000 1.088 242 K HN 0.866 nan 8.250 nan 0.000 0.510 243 A N -0.055 122.814 122.820 0.081 0.000 4.287 243 A HA -0.213 4.107 4.320 0.000 0.000 0.258 243 A C 1.161 178.802 177.584 0.094 0.000 0.811 243 A CA 1.620 53.727 52.037 0.117 0.000 1.245 243 A CB -2.500 16.640 19.000 0.233 0.000 1.055 243 A HN 1.460 nan 8.150 nan 0.000 0.763 244 G N -0.605 108.245 108.800 0.083 0.000 2.393 244 G HA2 -0.218 3.742 3.960 0.000 0.000 0.299 244 G HA3 -0.218 3.742 3.960 0.000 0.000 0.299 244 G C -0.139 174.788 174.900 0.046 0.000 0.990 244 G CA 1.521 46.655 45.100 0.057 0.000 1.118 244 G HN 1.161 nan 8.290 nan 0.000 0.513 245 K N 0.512 120.961 120.400 0.080 0.000 2.375 245 K HA 0.533 4.853 4.320 0.000 0.000 0.249 245 K C -2.303 174.340 176.600 0.072 0.000 0.942 245 K CA -2.066 54.233 56.287 0.019 0.000 0.806 245 K CB 2.986 35.414 32.500 -0.120 0.000 1.227 245 K HN 0.092 nan 8.250 nan 0.000 0.430 246 P HA 0.153 nan 4.420 nan 0.000 0.274 246 P C -1.216 176.133 177.300 0.081 0.000 1.246 246 P CA -0.571 62.553 63.100 0.040 0.000 0.795 246 P CB 0.781 32.484 31.700 0.005 0.000 1.006 247 L N 2.152 123.417 121.223 0.071 0.000 2.410 247 L HA 0.531 4.871 4.340 0.000 0.000 0.270 247 L C -1.427 175.454 176.870 0.019 0.000 0.983 247 L CA -1.003 53.892 54.840 0.091 0.000 0.822 247 L CB 1.633 43.751 42.059 0.097 0.000 1.285 247 L HN 0.175 nan 8.230 nan 0.000 0.409 248 L N 6.087 127.330 121.223 0.033 0.000 2.287 248 L HA 0.605 4.945 4.340 0.000 0.000 0.287 248 L C -1.129 175.751 176.870 0.016 0.000 1.022 248 L CA -0.133 54.706 54.840 -0.002 0.000 0.814 248 L CB 0.999 43.073 42.059 0.026 0.000 1.217 248 L HN 0.461 nan 8.230 nan 0.000 0.420 249 I N 7.120 127.683 120.570 -0.013 0.000 2.304 249 I HA 0.281 4.451 4.170 0.000 0.000 0.291 249 I C -0.095 176.046 176.117 0.040 0.000 1.018 249 I CA -0.148 61.160 61.300 0.014 0.000 1.260 249 I CB 1.071 39.077 38.000 0.009 0.000 1.390 249 I HN 0.586 nan 8.210 nan 0.000 0.475 250 I N 6.250 126.850 120.570 0.050 0.000 2.460 250 I HA 0.473 4.643 4.170 0.000 0.000 0.277 250 I C 0.314 176.454 176.117 0.038 0.000 1.057 250 I CA -0.211 61.127 61.300 0.064 0.000 1.179 250 I CB 1.094 39.126 38.000 0.053 0.000 1.329 250 I HN 0.614 nan 8.210 nan 0.000 0.478 251 A N 4.111 126.961 122.820 0.050 0.000 2.387 251 A HA 0.451 4.771 4.320 0.000 0.000 0.298 251 A C 0.894 178.506 177.584 0.047 0.000 1.165 251 A CA -0.532 51.529 52.037 0.040 0.000 0.814 251 A CB 1.326 20.352 19.000 0.044 0.000 1.357 251 A HN 0.685 nan 8.150 nan 0.000 0.443 252 E N -0.769 119.455 120.200 0.040 0.000 2.265 252 E HA -0.073 4.277 4.350 0.000 0.000 0.196 252 E C -0.496 176.140 176.600 0.060 0.000 0.996 252 E CA 1.437 57.865 56.400 0.047 0.000 0.832 252 E CB 0.137 29.861 29.700 0.040 0.000 0.756 252 E HN 0.641 nan 8.360 nan 0.000 0.491 253 D N -2.261 118.176 120.400 0.061 0.000 2.954 253 D HA 0.020 4.660 4.640 0.000 0.000 0.260 253 D C -1.978 174.365 176.300 0.071 0.000 1.072 253 D CA -0.450 53.593 54.000 0.071 0.000 0.735 253 D CB 1.018 41.856 40.800 0.063 0.000 1.934 253 D HN -0.141 nan 8.370 nan 0.000 0.458 254 V N 2.886 122.853 119.914 0.088 0.000 2.376 254 V HA 0.414 4.534 4.120 0.000 0.000 0.287 254 V C 0.292 176.437 176.094 0.085 0.000 1.015 254 V CA -0.676 61.678 62.300 0.090 0.000 0.834 254 V CB 1.314 33.211 31.823 0.122 0.000 1.001 254 V HN 0.476 nan 8.190 nan 0.000 0.428 255 E N 2.639 122.877 120.200 0.064 0.000 2.392 255 E HA 0.290 4.640 4.350 0.000 0.000 0.259 255 E C 1.440 178.069 176.600 0.049 0.000 1.108 255 E CA 0.418 56.849 56.400 0.053 0.000 0.916 255 E CB 1.139 30.863 29.700 0.040 0.000 0.989 255 E HN 0.769 nan 8.360 nan 0.000 0.432 256 G N 2.057 110.881 108.800 0.040 0.000 2.853 256 G HA2 -0.450 3.510 3.960 0.000 0.000 0.234 256 G HA3 -0.450 3.510 3.960 0.000 0.000 0.234 256 G C 1.373 176.284 174.900 0.019 0.000 1.198 256 G CA 1.765 46.882 45.100 0.028 0.000 0.767 256 G HN 0.649 nan 8.290 nan 0.000 0.657 257 E N 0.722 120.931 120.200 0.015 0.000 2.058 257 E HA 0.013 4.363 4.350 0.000 0.000 0.194 257 E C 2.848 179.457 176.600 0.016 0.000 0.997 257 E CA 1.827 58.232 56.400 0.008 0.000 0.801 257 E CB -0.745 28.960 29.700 0.007 0.000 0.746 257 E HN 0.419 nan 8.360 nan 0.000 0.450 258 A N 0.344 123.182 122.820 0.029 0.000 1.883 258 A HA -0.189 4.131 4.320 0.000 0.000 0.217 258 A C 2.237 179.857 177.584 0.060 0.000 1.186 258 A CA 1.690 53.752 52.037 0.041 0.000 0.624 258 A CB -0.909 18.120 19.000 0.048 0.000 0.822 258 A HN 0.384 nan 8.150 nan 0.000 0.444 259 L N -0.383 120.882 121.223 0.070 0.000 2.046 259 L HA -0.069 4.271 4.340 0.000 0.000 0.208 259 L C 2.744 179.634 176.870 0.033 0.000 1.077 259 L CA 2.087 56.986 54.840 0.099 0.000 0.747 259 L CB -0.732 41.384 42.059 0.096 0.000 0.896 259 L HN 0.369 nan 8.230 nan 0.000 0.432 260 A N -1.527 121.287 122.820 -0.009 0.000 1.883 260 A HA -0.245 4.075 4.320 0.000 0.000 0.217 260 A C 2.272 179.828 177.584 -0.046 0.000 1.186 260 A CA 2.476 54.476 52.037 -0.061 0.000 0.624 260 A CB -1.286 17.681 19.000 -0.055 0.000 0.822 260 A HN 0.507 nan 8.150 nan 0.000 0.444 261 T N 0.670 115.220 114.554 -0.007 0.000 2.684 261 T HA -0.146 4.204 4.350 0.000 0.000 0.267 261 T C 1.827 176.545 174.700 0.029 0.000 1.036 261 T CA 1.589 63.692 62.100 0.005 0.000 1.148 261 T CB -0.482 68.397 68.868 0.018 0.000 0.863 261 T HN 0.380 nan 8.240 nan 0.000 0.436 262 L N 0.579 121.848 121.223 0.076 0.000 1.989 262 L HA -0.125 4.215 4.340 0.000 0.000 0.211 262 L C 2.727 179.689 176.870 0.153 0.000 1.071 262 L CA 1.082 56.009 54.840 0.146 0.000 0.749 262 L CB -0.910 41.303 42.059 0.257 0.000 0.890 262 L HN 0.139 nan 8.230 nan 0.000 0.431 263 V N -0.477 119.479 119.914 0.069 0.000 2.233 263 V HA -0.295 3.825 4.120 0.000 0.000 0.247 263 V C 2.463 178.526 176.094 -0.051 0.000 1.050 263 V CA 1.858 64.125 62.300 -0.056 0.000 1.010 263 V CB -0.383 31.259 31.823 -0.301 0.000 0.637 263 V HN 0.186 nan 8.190 nan 0.000 0.444 264 V N 0.426 120.293 119.914 -0.078 0.000 2.231 264 V HA -0.378 3.742 4.120 0.000 0.000 0.248 264 V C 2.100 178.183 176.094 -0.019 0.000 1.054 264 V CA 2.831 65.092 62.300 -0.065 0.000 1.015 264 V CB -1.080 30.706 31.823 -0.062 0.000 0.638 264 V HN 0.633 nan 8.190 nan 0.000 0.444 265 N N -0.049 118.654 118.700 0.005 0.000 2.149 265 N HA -0.183 4.557 4.740 0.000 0.000 0.188 265 N C 1.865 177.396 175.510 0.035 0.000 1.019 265 N CA 1.776 54.838 53.050 0.020 0.000 0.857 265 N CB -0.234 38.270 38.487 0.027 0.000 0.997 265 N HN 0.733 nan 8.380 nan 0.000 0.426 266 T N -1.405 113.186 114.554 0.061 0.000 2.995 266 T HA -0.033 4.317 4.350 0.000 0.000 0.269 266 T C 1.657 176.392 174.700 0.057 0.000 1.091 266 T CA 0.573 62.718 62.100 0.075 0.000 1.128 266 T CB -0.077 68.868 68.868 0.128 0.000 0.891 266 T HN 0.128 nan 8.240 nan 0.000 0.492 267 M N 0.234 119.857 119.600 0.039 0.000 2.562 267 M HA 0.239 4.719 4.480 0.000 0.000 0.257 267 M C 1.835 178.141 176.300 0.010 0.000 1.099 267 M CA 0.705 56.017 55.300 0.020 0.000 1.099 267 M CB 0.065 32.659 32.600 -0.010 0.000 1.427 267 M HN 0.134 nan 8.290 nan 0.000 0.489 268 R N -1.001 119.505 120.500 0.010 0.000 2.393 268 R HA 0.245 4.585 4.340 0.000 0.000 0.244 268 R C 1.180 177.487 176.300 0.012 0.000 0.920 268 R CA 0.552 56.656 56.100 0.006 0.000 1.076 268 R CB 0.391 30.692 30.300 0.001 0.000 1.119 268 R HN 0.535 nan 8.270 nan 0.000 0.524 269 G N 1.501 110.313 108.800 0.019 0.000 2.268 269 G HA2 -0.281 3.679 3.960 0.000 0.000 0.240 269 G HA3 -0.281 3.679 3.960 0.000 0.000 0.240 269 G C 0.286 175.200 174.900 0.024 0.000 1.010 269 G CA -0.304 44.808 45.100 0.021 0.000 0.618 269 G HN 0.239 nan 8.290 nan 0.000 0.516 270 I N 2.197 122.780 120.570 0.023 0.000 2.347 270 I HA 0.420 4.590 4.170 0.000 0.000 0.294 270 I C 0.731 176.867 176.117 0.033 0.000 1.090 270 I CA -0.411 60.904 61.300 0.025 0.000 1.314 270 I CB 0.711 38.723 38.000 0.019 0.000 1.423 270 I HN 0.228 nan 8.210 nan 0.000 0.503 271 V N 5.252 125.189 119.914 0.038 0.000 3.480 271 V HA -0.221 3.899 4.120 0.000 0.000 0.494 271 V C 0.089 176.215 176.094 0.054 0.000 0.682 271 V CA 0.314 62.642 62.300 0.047 0.000 2.039 271 V CB -1.024 30.826 31.823 0.044 0.000 2.474 271 V HN 0.808 nan 8.190 nan 0.000 0.505 272 K N 3.948 124.380 120.400 0.054 0.000 2.253 272 K HA 0.728 5.048 4.320 0.000 0.000 0.277 272 K C -0.364 176.260 176.600 0.040 0.000 1.053 272 K CA -0.527 55.792 56.287 0.054 0.000 0.892 272 K CB 1.900 34.426 32.500 0.042 0.000 1.102 272 K HN 0.509 nan 8.250 nan 0.000 0.469 273 V N 1.184 121.121 119.914 0.039 0.000 3.074 273 V HA 0.822 4.942 4.120 0.000 0.000 0.314 273 V C -0.871 175.080 176.094 -0.238 0.000 1.117 273 V CA -1.025 61.255 62.300 -0.035 0.000 1.014 273 V CB 1.964 33.798 31.823 0.019 0.000 1.057 273 V HN 0.858 nan 8.190 nan 0.000 0.438 274 A N 1.474 124.026 122.820 -0.447 0.000 2.540 274 A HA 0.956 5.276 4.320 0.000 0.000 0.297 274 A C -0.821 176.404 177.584 -0.597 0.000 1.056 274 A CA 0.002 51.442 52.037 -0.995 0.000 0.700 274 A CB 1.682 20.360 19.000 -0.536 0.000 1.280 274 A HN 1.745 nan 8.150 nan 0.000 0.398 275 A N 0.903 123.346 122.820 -0.628 0.000 2.401 275 A HA 0.952 5.272 4.320 0.000 0.000 0.310 275 A C -0.364 177.243 177.584 0.039 0.000 1.075 275 A CA -0.105 51.859 52.037 -0.122 0.000 0.746 275 A CB 1.533 20.553 19.000 0.034 0.000 1.277 275 A HN 2.399 nan 8.150 nan 0.000 0.425 276 V N -1.190 118.778 119.914 0.090 0.000 3.087 276 V HA 0.621 4.741 4.120 0.000 0.000 0.306 276 V C -0.659 175.528 176.094 0.155 0.000 1.187 276 V CA -1.228 61.156 62.300 0.140 0.000 0.999 276 V CB 1.485 33.390 31.823 0.136 0.000 1.049 276 V HN 0.898 nan 8.190 nan 0.000 0.431 277 K N 1.845 122.339 120.400 0.157 0.000 2.219 277 K HA 0.673 4.993 4.320 0.000 0.000 0.258 277 K C 0.445 177.138 176.600 0.155 0.000 1.008 277 K CA 0.291 56.660 56.287 0.136 0.000 0.928 277 K CB 1.184 33.756 32.500 0.120 0.000 0.983 277 K HN 1.156 nan 8.250 nan 0.000 0.484 278 A N 3.693 126.563 122.820 0.082 0.000 2.462 278 A HA 0.203 4.523 4.320 0.000 0.000 0.243 278 A C -2.028 175.564 177.584 0.014 0.000 1.076 278 A CA -1.135 50.902 52.037 0.001 0.000 0.773 278 A CB -0.374 18.612 19.000 -0.024 0.000 1.010 278 A HN 0.469 nan 8.150 nan 0.000 0.493 279 P HA 0.329 nan 4.420 nan 0.000 0.269 279 P C 0.729 178.043 177.300 0.022 0.000 1.209 279 P CA 1.436 64.530 63.100 -0.010 0.000 0.776 279 P CB 0.515 32.080 31.700 -0.225 0.000 0.876 280 G N 2.115 110.980 108.800 0.109 0.000 2.749 280 G HA2 -0.096 3.864 3.960 0.000 0.000 0.242 280 G HA3 -0.096 3.864 3.960 0.000 0.000 0.242 280 G C -0.671 174.367 174.900 0.231 0.000 1.364 280 G CA 0.160 45.352 45.100 0.153 0.000 0.888 280 G HN 0.760 nan 8.290 nan 0.000 0.566 281 F N -2.734 117.230 119.950 0.023 0.000 2.754 281 F HA 0.829 5.356 4.527 0.000 0.000 0.320 281 F C 1.117 176.931 175.800 0.023 0.000 1.156 281 F CA 0.235 58.249 58.000 0.023 0.000 0.950 281 F CB 0.824 39.842 39.000 0.030 0.000 1.388 281 F HN 2.431 nan 8.300 nan 0.000 0.485 282 G N 1.086 109.874 108.800 -0.021 0.000 2.583 282 G HA2 -0.299 3.661 3.960 0.000 0.000 0.292 282 G HA3 -0.299 3.661 3.960 0.000 0.000 0.292 282 G C 0.283 175.103 174.900 -0.134 0.000 1.203 282 G CA 0.706 45.729 45.100 -0.129 0.000 0.987 282 G HN 0.859 nan 8.290 nan 0.000 0.554 283 D N 1.023 121.321 120.400 -0.169 0.000 2.216 283 D HA -0.012 4.628 4.640 0.000 0.000 0.208 283 D C 2.482 178.704 176.300 -0.130 0.000 0.960 283 D CA 1.202 55.134 54.000 -0.113 0.000 0.861 283 D CB -0.185 40.566 40.800 -0.083 0.000 0.985 283 D HN 0.688 nan 8.370 nan 0.000 0.493 284 R N 1.177 121.563 120.500 -0.190 0.000 2.341 284 R HA 0.018 4.358 4.340 0.000 0.000 0.213 284 R C 2.005 178.221 176.300 -0.139 0.000 1.082 284 R CA 0.615 56.615 56.100 -0.165 0.000 1.017 284 R CB -0.222 29.959 30.300 -0.198 0.000 0.860 284 R HN 0.059 nan 8.270 nan 0.000 0.473 285 R N 1.693 122.113 120.500 -0.133 0.000 2.057 285 R HA 0.006 4.346 4.340 0.000 0.000 0.224 285 R C 1.469 177.723 176.300 -0.077 0.000 1.136 285 R CA 1.097 57.146 56.100 -0.086 0.000 0.968 285 R CB 0.026 30.301 30.300 -0.041 0.000 0.863 285 R HN 0.182 nan 8.270 nan 0.000 0.433 286 K N 0.310 120.671 120.400 -0.066 0.000 2.103 286 K HA -0.117 4.203 4.320 0.000 0.000 0.207 286 K C 2.064 178.626 176.600 -0.062 0.000 1.048 286 K CA 1.516 57.770 56.287 -0.055 0.000 0.930 286 K CB -0.123 32.352 32.500 -0.043 0.000 0.716 286 K HN 0.235 nan 8.250 nan 0.000 0.444 287 A N 1.358 124.135 122.820 -0.071 0.000 1.855 287 A HA -0.135 4.185 4.320 0.000 0.000 0.215 287 A C 2.152 179.688 177.584 -0.079 0.000 1.191 287 A CA 1.389 53.385 52.037 -0.069 0.000 0.613 287 A CB -0.437 18.519 19.000 -0.072 0.000 0.829 287 A HN 0.154 nan 8.150 nan 0.000 0.442 288 M N -0.713 118.829 119.600 -0.097 0.000 2.159 288 M HA -0.086 4.394 4.480 0.000 0.000 0.263 288 M C 2.191 178.404 176.300 -0.145 0.000 1.063 288 M CA 1.197 56.425 55.300 -0.121 0.000 1.110 288 M CB -0.448 32.068 32.600 -0.140 0.000 1.374 288 M HN 0.416 nan 8.290 nan 0.000 0.411 289 L N 0.076 121.221 121.223 -0.130 0.000 2.083 289 L HA -0.261 4.079 4.340 0.000 0.000 0.209 289 L C 2.639 179.454 176.870 -0.092 0.000 1.083 289 L CA 1.400 56.165 54.840 -0.125 0.000 0.752 289 L CB -0.260 41.746 42.059 -0.088 0.000 0.899 289 L HN 0.335 nan 8.230 nan 0.000 0.433 290 Q N 0.092 119.848 119.800 -0.073 0.000 2.083 290 Q HA -0.202 4.138 4.340 0.000 0.000 0.198 290 Q C 1.666 177.635 176.000 -0.051 0.000 0.969 290 Q CA 1.808 57.580 55.803 -0.053 0.000 0.838 290 Q CB -0.106 28.605 28.738 -0.044 0.000 0.900 290 Q HN 0.406 nan 8.270 nan 0.000 0.436 291 D N 0.136 120.499 120.400 -0.061 0.000 2.106 291 D HA -0.192 4.448 4.640 0.000 0.000 0.191 291 D C 1.884 178.157 176.300 -0.047 0.000 0.997 291 D CA 1.639 55.608 54.000 -0.051 0.000 0.834 291 D CB -0.324 40.441 40.800 -0.058 0.000 0.956 291 D HN 0.384 nan 8.370 nan 0.000 0.448 292 I N 1.105 121.631 120.570 -0.072 0.000 2.264 292 I HA -0.282 3.888 4.170 0.000 0.000 0.248 292 I C 2.491 178.593 176.117 -0.025 0.000 1.111 292 I CA 1.053 62.320 61.300 -0.056 0.000 1.382 292 I CB -0.309 37.624 38.000 -0.112 0.000 1.060 292 I HN -0.062 nan 8.210 nan 0.000 0.418 293 A N 0.680 123.482 122.820 -0.031 0.000 1.858 293 A HA -0.204 4.116 4.320 0.000 0.000 0.216 293 A C 2.412 179.993 177.584 -0.005 0.000 1.190 293 A CA 2.525 54.554 52.037 -0.013 0.000 0.617 293 A CB -1.168 17.821 19.000 -0.019 0.000 0.827 293 A HN 0.373 nan 8.150 nan 0.000 0.443 294 T N 0.450 114.997 114.554 -0.011 0.000 2.788 294 T HA -0.113 4.237 4.350 0.000 0.000 0.268 294 T C 1.818 176.518 174.700 -0.001 0.000 1.044 294 T CA 1.258 63.354 62.100 -0.007 0.000 1.139 294 T CB -0.293 68.568 68.868 -0.012 0.000 0.867 294 T HN 0.294 nan 8.240 nan 0.000 0.454 295 L N 1.912 123.134 121.223 -0.001 0.000 2.093 295 L HA -0.052 4.288 4.340 0.000 0.000 0.208 295 L C 2.234 179.112 176.870 0.014 0.000 1.085 295 L CA 2.185 57.029 54.840 0.007 0.000 0.755 295 L CB -1.175 40.890 42.059 0.009 0.000 0.904 295 L HN 0.450 nan 8.230 nan 0.000 0.435 296 T N -4.371 110.194 114.554 0.018 0.000 3.069 296 T HA 0.280 4.630 4.350 0.000 0.000 0.252 296 T C 1.237 175.956 174.700 0.032 0.000 1.053 296 T CA 0.354 62.471 62.100 0.028 0.000 0.964 296 T CB 0.090 68.981 68.868 0.039 0.000 1.005 296 T HN 0.503 nan 8.240 nan 0.000 0.532 297 G N 0.541 109.355 108.800 0.023 0.000 2.221 297 G HA2 -0.004 3.956 3.960 0.000 0.000 0.265 297 G HA3 -0.004 3.956 3.960 0.000 0.000 0.265 297 G C 0.343 175.262 174.900 0.032 0.000 1.041 297 G CA -0.164 44.951 45.100 0.025 0.000 0.807 297 G HN 1.047 nan 8.290 nan 0.000 0.502 298 G N -1.685 107.131 108.800 0.027 0.000 2.552 298 G HA2 0.740 4.700 3.960 0.000 0.000 0.324 298 G HA3 0.740 4.700 3.960 0.000 0.000 0.324 298 G C -0.411 174.494 174.900 0.009 0.000 1.217 298 G CA 0.144 45.260 45.100 0.027 0.000 0.989 298 G HN 0.587 nan 8.290 nan 0.000 0.490 299 T N 0.396 114.952 114.554 0.003 0.000 2.792 299 T HA 0.412 4.762 4.350 0.000 0.000 0.280 299 T C 0.120 174.815 174.700 -0.009 0.000 0.990 299 T CA -0.268 61.829 62.100 -0.005 0.000 0.960 299 T CB 1.600 70.464 68.868 -0.008 0.000 0.939 299 T HN 0.336 nan 8.240 nan 0.000 0.439 300 V N 4.763 124.669 119.914 -0.013 0.000 2.637 300 V HA 0.226 4.346 4.120 0.000 0.000 0.296 300 V C 0.372 176.457 176.094 -0.014 0.000 1.046 300 V CA -0.147 62.144 62.300 -0.016 0.000 1.066 300 V CB 0.346 32.155 31.823 -0.022 0.000 0.968 300 V HN 0.771 nan 8.190 nan 0.000 0.483 301 I N 5.226 125.789 120.570 -0.012 0.000 2.347 301 I HA 0.284 4.454 4.170 0.000 0.000 0.283 301 I C 0.270 176.382 176.117 -0.008 0.000 1.058 301 I CA 0.089 61.383 61.300 -0.011 0.000 1.202 301 I CB 0.944 38.937 38.000 -0.011 0.000 1.386 301 I HN 0.723 nan 8.210 nan 0.000 0.475 302 S N 3.055 118.750 115.700 -0.008 0.000 2.501 302 S HA 0.409 4.879 4.470 0.000 0.000 0.301 302 S C 0.591 175.188 174.600 -0.004 0.000 1.096 302 S CA -0.839 57.357 58.200 -0.006 0.000 1.063 302 S CB 2.229 65.424 63.200 -0.008 0.000 1.042 302 S HN 0.560 nan 8.310 nan 0.000 0.494 303 E N 1.503 121.703 120.200 -0.001 0.000 2.150 303 E HA -0.147 4.203 4.350 0.000 0.000 0.193 303 E C 1.478 178.077 176.600 -0.001 0.000 0.985 303 E CA 1.095 57.495 56.400 -0.000 0.000 0.814 303 E CB -0.081 29.621 29.700 0.003 0.000 0.752 303 E HN 0.801 nan 8.360 nan 0.000 0.466 304 E N 0.938 121.137 120.200 -0.001 0.000 2.048 304 E HA -0.223 4.127 4.350 0.000 0.000 0.202 304 E C 2.037 178.635 176.600 -0.003 0.000 1.021 304 E CA 1.203 57.602 56.400 -0.002 0.000 0.825 304 E CB -0.258 29.441 29.700 -0.003 0.000 0.756 304 E HN 0.305 nan 8.360 nan 0.000 0.454 305 I N -0.067 120.500 120.570 -0.005 0.000 2.916 305 I HA -0.081 4.089 4.170 0.000 0.000 0.267 305 I C 1.353 177.467 176.117 -0.005 0.000 1.263 305 I CA 0.754 62.051 61.300 -0.005 0.000 1.471 305 I CB -0.313 37.683 38.000 -0.007 0.000 1.089 305 I HN 0.350 nan 8.210 nan 0.000 0.468 306 G N 1.068 109.866 108.800 -0.004 0.000 2.130 306 G HA2 -0.244 3.717 3.960 0.000 0.000 0.216 306 G HA3 -0.244 3.717 3.960 0.000 0.000 0.216 306 G C 0.200 175.098 174.900 -0.004 0.000 0.999 306 G CA -0.377 44.721 45.100 -0.003 0.000 0.686 306 G HN 0.231 nan 8.290 nan 0.000 0.515 307 M N 0.231 119.828 119.600 -0.005 0.000 2.255 307 M HA 0.526 5.007 4.480 0.000 0.000 0.336 307 M C 0.402 176.698 176.300 -0.006 0.000 1.135 307 M CA 0.203 55.499 55.300 -0.007 0.000 1.145 307 M CB 0.888 33.483 32.600 -0.008 0.000 1.473 307 M HN 0.244 nan 8.290 nan 0.000 0.462 308 E N 1.317 121.512 120.200 -0.008 0.000 2.256 308 E HA 0.304 4.654 4.350 0.000 0.000 0.267 308 E C 0.140 176.734 176.600 -0.010 0.000 0.892 308 E CA -0.557 55.839 56.400 -0.007 0.000 0.775 308 E CB 2.262 31.958 29.700 -0.006 0.000 1.207 308 E HN 0.635 nan 8.360 nan 0.000 0.420 309 L N 1.438 122.656 121.223 -0.008 0.000 2.093 309 L HA -0.169 4.171 4.340 0.000 0.000 0.208 309 L C 1.663 178.524 176.870 -0.015 0.000 1.085 309 L CA 1.250 56.083 54.840 -0.011 0.000 0.755 309 L CB -0.196 41.860 42.059 -0.006 0.000 0.904 309 L HN 0.566 nan 8.230 nan 0.000 0.435 310 E N 0.413 120.606 120.200 -0.012 0.000 2.160 310 E HA -0.189 4.161 4.350 0.000 0.000 0.195 310 E C 1.443 178.033 176.600 -0.018 0.000 0.991 310 E CA 1.020 57.412 56.400 -0.013 0.000 0.810 310 E CB -0.054 29.641 29.700 -0.009 0.000 0.742 310 E HN 0.345 nan 8.360 nan 0.000 0.466 311 K N 0.252 120.641 120.400 -0.017 0.000 2.469 311 K HA 0.319 4.639 4.320 0.000 0.000 0.201 311 K C -0.175 176.410 176.600 -0.026 0.000 1.028 311 K CA -0.054 56.221 56.287 -0.020 0.000 1.170 311 K CB 0.819 33.310 32.500 -0.015 0.000 0.874 311 K HN 0.001 nan 8.250 nan 0.000 0.507 312 A N 1.910 124.711 122.820 -0.032 0.000 2.289 312 A HA 0.294 4.614 4.320 0.000 0.000 0.298 312 A C 0.422 177.969 177.584 -0.061 0.000 1.208 312 A CA -0.411 51.600 52.037 -0.043 0.000 0.845 312 A CB 0.334 19.309 19.000 -0.042 0.000 1.125 312 A HN 0.243 nan 8.150 nan 0.000 0.517 313 T N 0.107 114.619 114.554 -0.070 0.000 2.948 313 T HA 0.512 4.862 4.350 0.000 0.000 0.285 313 T C 1.151 175.764 174.700 -0.145 0.000 1.019 313 T CA -0.765 61.279 62.100 -0.093 0.000 1.013 313 T CB 0.581 69.408 68.868 -0.068 0.000 1.117 313 T HN 0.354 nan 8.240 nan 0.000 0.533 314 L N -0.010 121.090 121.223 -0.206 0.000 2.129 314 L HA -0.099 4.241 4.340 0.000 0.000 0.212 314 L C 2.865 179.613 176.870 -0.204 0.000 1.087 314 L CA 1.730 56.354 54.840 -0.359 0.000 0.757 314 L CB -0.560 41.261 42.059 -0.397 0.000 0.896 314 L HN 0.874 nan 8.230 nan 0.000 0.434 315 E N -0.036 120.106 120.200 -0.096 0.000 2.338 315 E HA -0.206 4.144 4.350 0.000 0.000 0.197 315 E C 1.338 177.923 176.600 -0.024 0.000 1.007 315 E CA 0.808 57.189 56.400 -0.032 0.000 0.849 315 E CB 0.200 29.889 29.700 -0.019 0.000 0.774 315 E HN 0.474 nan 8.360 nan 0.000 0.506 316 D N -0.107 120.264 120.400 -0.048 0.000 2.289 316 D HA -0.037 4.603 4.640 0.000 0.000 0.207 316 D C 0.093 176.381 176.300 -0.019 0.000 0.966 316 D CA 0.236 54.218 54.000 -0.031 0.000 0.868 316 D CB 0.238 41.014 40.800 -0.039 0.000 0.943 316 D HN 0.122 nan 8.370 nan 0.000 0.514 317 L N 1.002 122.202 121.223 -0.040 0.000 2.426 317 L HA 0.264 4.604 4.340 0.000 0.000 0.271 317 L C 1.508 178.441 176.870 0.106 0.000 1.169 317 L CA 0.045 54.892 54.840 0.011 0.000 0.836 317 L CB 0.653 42.667 42.059 -0.075 0.000 1.112 317 L HN -0.154 nan 8.230 nan 0.000 0.465 318 G N 1.404 110.273 108.800 0.115 0.000 2.553 318 G HA2 0.473 4.433 3.960 0.000 0.000 0.278 318 G HA3 0.473 4.433 3.960 0.000 0.000 0.278 318 G C -0.873 174.126 174.900 0.165 0.000 1.349 318 G CA -0.164 45.001 45.100 0.110 0.000 1.037 318 G HN 0.570 nan 8.290 nan 0.000 0.508 319 Q N -2.458 117.397 119.800 0.092 0.000 2.438 319 Q HA 0.549 4.890 4.340 0.000 0.000 0.272 319 Q C -1.266 174.736 176.000 0.004 0.000 0.994 319 Q CA -0.525 55.302 55.803 0.040 0.000 0.887 319 Q CB 2.018 30.773 28.738 0.028 0.000 1.432 319 Q HN 1.102 nan 8.270 nan 0.000 0.392 320 A N 2.012 124.814 122.820 -0.029 0.000 2.612 320 A HA 0.460 4.780 4.320 0.000 0.000 0.293 320 A C -0.726 176.830 177.584 -0.046 0.000 1.075 320 A CA -0.627 51.397 52.037 -0.022 0.000 0.680 320 A CB 1.529 20.531 19.000 0.003 0.000 1.279 320 A HN 0.772 nan 8.150 nan 0.000 0.411 321 K N -0.455 119.924 120.400 -0.035 0.000 2.217 321 K HA 0.038 4.358 4.320 0.000 0.000 0.202 321 K C 0.664 177.242 176.600 -0.037 0.000 1.051 321 K CA 1.209 57.471 56.287 -0.041 0.000 0.952 321 K CB 0.182 32.664 32.500 -0.030 0.000 0.736 321 K HN 0.541 nan 8.250 nan 0.000 0.453 322 R N 0.131 120.617 120.500 -0.025 0.000 2.633 322 R HA 0.153 4.493 4.340 0.000 0.000 0.255 322 R C -1.932 174.362 176.300 -0.010 0.000 1.106 322 R CA -0.536 55.553 56.100 -0.019 0.000 0.959 322 R CB 1.680 31.970 30.300 -0.017 0.000 1.259 322 R HN -0.044 nan 8.270 nan 0.000 0.453 323 V N 0.910 120.818 119.914 -0.010 0.000 2.735 323 V HA 0.860 4.980 4.120 0.000 0.000 0.310 323 V C -1.313 174.773 176.094 -0.013 0.000 1.061 323 V CA -0.599 61.697 62.300 -0.007 0.000 0.913 323 V CB 2.152 33.976 31.823 0.002 0.000 1.005 323 V HN 0.437 nan 8.190 nan 0.000 0.428 324 V N 5.867 125.766 119.914 -0.024 0.000 2.483 324 V HA 0.553 4.673 4.120 0.000 0.000 0.297 324 V C -0.272 175.800 176.094 -0.037 0.000 1.027 324 V CA -0.279 62.010 62.300 -0.017 0.000 0.855 324 V CB 1.555 33.369 31.823 -0.014 0.000 0.995 324 V HN 0.861 nan 8.190 nan 0.000 0.424 325 I N 4.515 125.086 120.570 0.002 0.000 2.412 325 I HA 0.505 4.675 4.170 0.000 0.000 0.296 325 I C 0.096 176.242 176.117 0.048 0.000 0.987 325 I CA -0.422 60.878 61.300 -0.001 0.000 1.180 325 I CB 1.743 39.782 38.000 0.065 0.000 1.340 325 I HN 0.506 nan 8.210 nan 0.000 0.455 326 N N 3.677 122.327 118.700 -0.083 0.000 2.671 326 N HA 0.231 4.971 4.740 0.000 0.000 0.303 326 N C 0.758 175.965 175.510 -0.504 0.000 1.277 326 N CA -0.541 52.432 53.050 -0.127 0.000 0.933 326 N CB 1.397 39.808 38.487 -0.126 0.000 1.190 326 N HN 0.543 nan 8.380 nan 0.000 0.600 327 K N -0.111 120.033 120.400 -0.427 0.000 2.209 327 K HA -0.141 4.179 4.320 0.000 0.000 0.204 327 K C -0.608 175.661 176.600 -0.553 0.000 1.048 327 K CA 1.857 57.762 56.287 -0.637 0.000 0.940 327 K CB 0.021 32.416 32.500 -0.176 0.000 0.729 327 K HN 0.621 nan 8.250 nan 0.000 0.451 328 D N -1.438 118.753 120.400 -0.348 0.000 3.120 328 D HA 0.111 4.751 4.640 0.000 0.000 0.331 328 D C -0.840 175.350 176.300 -0.183 0.000 1.595 328 D CA -0.503 53.358 54.000 -0.233 0.000 0.771 328 D CB 0.568 41.283 40.800 -0.142 0.000 1.274 328 D HN -0.118 nan 8.370 nan 0.000 0.503 329 T N -0.463 113.955 114.554 -0.226 0.000 2.982 329 T HA 0.632 4.982 4.350 0.000 0.000 0.321 329 T C -1.468 173.045 174.700 -0.311 0.000 1.229 329 T CA -0.345 61.616 62.100 -0.232 0.000 1.044 329 T CB 2.033 70.812 68.868 -0.149 0.000 1.184 329 T HN -0.035 nan 8.240 nan 0.000 0.477 330 T N 2.063 116.305 114.554 -0.521 0.000 2.879 330 T HA 0.629 4.979 4.350 0.000 0.000 0.290 330 T C -0.817 173.564 174.700 -0.532 0.000 0.993 330 T CA -0.543 61.193 62.100 -0.607 0.000 0.975 330 T CB 1.612 69.869 68.868 -1.018 0.000 0.981 330 T HN 0.602 nan 8.240 nan 0.000 0.439 331 T N 3.726 118.136 114.554 -0.240 0.000 2.840 331 T HA 0.651 5.002 4.350 0.000 0.000 0.287 331 T C -0.647 174.036 174.700 -0.028 0.000 0.991 331 T CA -0.658 61.378 62.100 -0.106 0.000 0.964 331 T CB 0.177 69.004 68.868 -0.069 0.000 0.954 331 T HN 0.489 nan 8.240 nan 0.000 0.438 332 I N 6.212 126.805 120.570 0.038 0.000 2.315 332 I HA 0.430 4.600 4.170 0.000 0.000 0.291 332 I C -0.180 175.956 176.117 0.032 0.000 1.006 332 I CA -0.770 60.563 61.300 0.054 0.000 1.265 332 I CB 1.228 39.292 38.000 0.107 0.000 1.387 332 I HN 0.561 nan 8.210 nan 0.000 0.475 333 I N 5.929 126.508 120.570 0.015 0.000 2.362 333 I HA 0.264 4.434 4.170 0.000 0.000 0.289 333 I C -0.485 175.633 176.117 0.002 0.000 0.994 333 I CA -0.438 60.865 61.300 0.005 0.000 1.158 333 I CB 1.196 39.194 38.000 -0.004 0.000 1.315 333 I HN 0.565 nan 8.210 nan 0.000 0.451 334 D N 5.014 125.416 120.400 0.003 0.000 3.241 334 D HA -0.107 4.533 4.640 0.000 0.000 0.248 334 D C 0.177 176.477 176.300 0.000 0.000 1.093 334 D CA 0.806 54.806 54.000 -0.001 0.000 0.940 334 D CB -0.237 40.558 40.800 -0.008 0.000 0.980 334 D HN 0.843 nan 8.370 nan 0.000 0.421 335 G N 0.190 108.995 108.800 0.008 0.000 2.467 335 G HA2 0.380 4.340 3.960 0.000 0.000 0.257 335 G HA3 0.380 4.340 3.960 0.000 0.000 0.257 335 G C 1.444 176.348 174.900 0.006 0.000 1.227 335 G CA -0.292 44.814 45.100 0.011 0.000 0.835 335 G HN 0.263 nan 8.290 nan 0.000 0.556 336 V N 2.365 122.284 119.914 0.008 0.000 2.871 336 V HA 0.029 4.149 4.120 0.000 0.000 0.256 336 V C 2.236 178.337 176.094 0.011 0.000 1.082 336 V CA 0.938 63.243 62.300 0.008 0.000 1.105 336 V CB -1.172 30.659 31.823 0.012 0.000 0.713 336 V HN 0.880 nan 8.190 nan 0.000 0.473 337 G N 1.385 110.193 108.800 0.013 0.000 2.238 337 G HA2 -0.055 3.905 3.960 0.000 0.000 0.234 337 G HA3 -0.055 3.905 3.960 0.000 0.000 0.234 337 G C 0.005 174.909 174.900 0.007 0.000 1.181 337 G CA -0.111 44.996 45.100 0.011 0.000 0.871 337 G HN 0.313 nan 8.290 nan 0.000 0.490 338 E N 1.622 121.825 120.200 0.006 0.000 2.384 338 E HA 0.009 4.359 4.350 0.000 0.000 0.266 338 E C 1.435 178.036 176.600 0.002 0.000 1.012 338 E CA -0.211 56.191 56.400 0.004 0.000 0.901 338 E CB 0.925 30.627 29.700 0.004 0.000 0.967 338 E HN 0.623 nan 8.360 nan 0.000 0.435 339 E N 1.997 122.197 120.200 0.001 0.000 2.209 339 E HA -0.216 4.134 4.350 0.000 0.000 0.196 339 E C 1.566 178.166 176.600 -0.001 0.000 0.993 339 E CA 1.155 57.555 56.400 0.000 0.000 0.819 339 E CB 0.119 29.819 29.700 -0.000 0.000 0.745 339 E HN 0.543 nan 8.360 nan 0.000 0.477 340 A N 1.420 124.239 122.820 -0.001 0.000 1.877 340 A HA -0.081 4.239 4.320 0.000 0.000 0.216 340 A C 2.404 179.986 177.584 -0.002 0.000 1.186 340 A CA 1.840 53.877 52.037 -0.001 0.000 0.620 340 A CB -0.463 18.537 19.000 -0.001 0.000 0.822 340 A HN 0.282 nan 8.150 nan 0.000 0.443 341 A N -0.256 122.563 122.820 -0.002 0.000 1.897 341 A HA 0.022 4.342 4.320 0.000 0.000 0.215 341 A C 2.136 179.717 177.584 -0.004 0.000 1.181 341 A CA 1.339 53.374 52.037 -0.003 0.000 0.620 341 A CB -0.537 18.462 19.000 -0.001 0.000 0.821 341 A HN 0.477 nan 8.150 nan 0.000 0.443 342 I N -0.947 119.622 120.570 -0.003 0.000 2.142 342 I HA -0.259 3.911 4.170 0.000 0.000 0.240 342 I C 2.766 178.879 176.117 -0.005 0.000 1.078 342 I CA 1.758 63.055 61.300 -0.004 0.000 1.343 342 I CB -0.336 37.663 38.000 -0.001 0.000 1.046 342 I HN 0.321 nan 8.210 nan 0.000 0.405 343 Q N 1.247 121.045 119.800 -0.004 0.000 2.170 343 Q HA -0.132 4.208 4.340 0.000 0.000 0.203 343 Q C 2.019 178.016 176.000 -0.006 0.000 0.976 343 Q CA 1.970 57.770 55.803 -0.005 0.000 0.858 343 Q CB -0.715 28.021 28.738 -0.004 0.000 0.907 343 Q HN 0.513 nan 8.270 nan 0.000 0.433 344 G N -0.302 108.494 108.800 -0.006 0.000 2.403 344 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 344 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 344 G C 1.552 176.447 174.900 -0.009 0.000 1.154 344 G CA 0.737 45.832 45.100 -0.007 0.000 0.784 344 G HN 0.344 nan 8.290 nan 0.000 0.538 345 R N 0.439 120.933 120.500 -0.010 0.000 2.091 345 R HA -0.042 4.298 4.340 0.000 0.000 0.238 345 R C 2.533 178.824 176.300 -0.015 0.000 1.136 345 R CA 1.660 57.752 56.100 -0.014 0.000 0.959 345 R CB -0.936 29.355 30.300 -0.014 0.000 0.856 345 R HN 0.191 nan 8.270 nan 0.000 0.437 346 V N 1.000 120.906 119.914 -0.013 0.000 2.332 346 V HA -0.252 3.868 4.120 0.000 0.000 0.248 346 V C 2.405 178.491 176.094 -0.014 0.000 1.055 346 V CA 1.951 64.243 62.300 -0.013 0.000 1.038 346 V CB -1.081 30.736 31.823 -0.010 0.000 0.651 346 V HN 0.573 nan 8.190 nan 0.000 0.450 347 A N -0.586 122.227 122.820 -0.012 0.000 1.883 347 A HA -0.315 4.005 4.320 0.000 0.000 0.217 347 A C 2.189 179.766 177.584 -0.013 0.000 1.186 347 A CA 2.112 54.142 52.037 -0.011 0.000 0.624 347 A CB -0.546 18.448 19.000 -0.009 0.000 0.822 347 A HN 0.632 nan 8.150 nan 0.000 0.444 348 Q N -0.569 119.223 119.800 -0.014 0.000 2.096 348 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 348 Q C 2.017 178.006 176.000 -0.019 0.000 0.982 348 Q CA 1.684 57.478 55.803 -0.016 0.000 0.850 348 Q CB -0.387 28.341 28.738 -0.017 0.000 0.901 348 Q HN 0.777 nan 8.270 nan 0.000 0.422 349 I N -0.011 120.546 120.570 -0.021 0.000 2.439 349 I HA -0.204 3.966 4.170 0.000 0.000 0.251 349 I C 2.233 178.336 176.117 -0.024 0.000 1.139 349 I CA 0.836 62.120 61.300 -0.026 0.000 1.438 349 I CB -0.179 37.803 38.000 -0.029 0.000 1.085 349 I HN 0.092 nan 8.210 nan 0.000 0.427 350 R N 0.367 120.855 120.500 -0.019 0.000 2.189 350 R HA -0.097 4.243 4.340 0.000 0.000 0.218 350 R C 2.213 178.504 176.300 -0.015 0.000 1.074 350 R CA 0.891 56.980 56.100 -0.017 0.000 0.991 350 R CB -0.023 30.269 30.300 -0.014 0.000 0.883 350 R HN 0.468 nan 8.270 nan 0.000 0.457 351 Q N -0.359 119.432 119.800 -0.015 0.000 2.212 351 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 351 Q C 1.909 177.900 176.000 -0.014 0.000 0.950 351 Q CA 0.657 56.452 55.803 -0.013 0.000 0.863 351 Q CB 0.306 29.038 28.738 -0.011 0.000 0.944 351 Q HN 0.331 nan 8.270 nan 0.000 0.465 352 Q N 0.590 120.379 119.800 -0.018 0.000 2.096 352 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 352 Q C 2.103 178.090 176.000 -0.021 0.000 0.982 352 Q CA 1.173 56.963 55.803 -0.021 0.000 0.850 352 Q CB -0.252 28.469 28.738 -0.028 0.000 0.901 352 Q HN 0.483 nan 8.270 nan 0.000 0.422 353 I N 1.114 121.671 120.570 -0.022 0.000 2.454 353 I HA -0.239 3.931 4.170 0.000 0.000 0.254 353 I C 2.150 178.258 176.117 -0.014 0.000 1.156 353 I CA 0.889 62.176 61.300 -0.021 0.000 1.433 353 I CB -0.262 37.725 38.000 -0.022 0.000 1.082 353 I HN 0.147 nan 8.210 nan 0.000 0.432 354 E N 1.266 121.459 120.200 -0.012 0.000 2.016 354 E HA -0.174 4.176 4.350 0.000 0.000 0.190 354 E C 1.818 178.414 176.600 -0.006 0.000 0.985 354 E CA 1.140 57.536 56.400 -0.008 0.000 0.802 354 E CB -0.424 29.272 29.700 -0.007 0.000 0.762 354 E HN 0.566 nan 8.360 nan 0.000 0.448 355 E N 1.216 121.412 120.200 -0.007 0.000 2.515 355 E HA 0.062 4.412 4.350 0.000 0.000 0.201 355 E C 0.269 176.867 176.600 -0.004 0.000 1.071 355 E CA 0.070 56.467 56.400 -0.005 0.000 0.880 355 E CB -0.038 29.659 29.700 -0.007 0.000 0.828 355 E HN 0.089 nan 8.360 nan 0.000 0.540 356 A N 1.807 124.624 122.820 -0.005 0.000 2.522 356 A HA 0.059 4.379 4.320 0.000 0.000 0.256 356 A C 1.033 178.620 177.584 0.005 0.000 1.086 356 A CA 0.115 52.151 52.037 -0.003 0.000 0.763 356 A CB -0.123 18.872 19.000 -0.008 0.000 1.024 356 A HN 0.194 nan 8.150 nan 0.000 0.502 357 T N -0.325 114.236 114.554 0.011 0.000 3.264 357 T HA 0.489 4.839 4.350 0.000 0.000 0.257 357 T C 0.158 174.873 174.700 0.025 0.000 0.976 357 T CA 0.230 62.340 62.100 0.015 0.000 0.908 357 T CB -0.566 68.310 68.868 0.014 0.000 1.082 357 T HN 1.075 nan 8.240 nan 0.000 0.567 358 S N -0.845 114.873 115.700 0.031 0.000 2.552 358 S HA 0.335 4.805 4.470 0.000 0.000 0.272 358 S C -0.593 174.039 174.600 0.053 0.000 1.150 358 S CA -0.622 57.609 58.200 0.052 0.000 0.849 358 S CB 1.369 64.617 63.200 0.081 0.000 1.113 358 S HN 0.084 nan 8.310 nan 0.000 0.458 359 D N 1.107 121.550 120.400 0.071 0.000 2.162 359 D HA -0.006 4.634 4.640 0.000 0.000 0.205 359 D C 1.362 177.713 176.300 0.085 0.000 0.964 359 D CA 1.146 55.184 54.000 0.063 0.000 0.847 359 D CB -0.227 40.612 40.800 0.064 0.000 0.988 359 D HN 0.615 nan 8.370 nan 0.000 0.480 360 Y N 2.524 122.826 120.300 0.003 0.000 2.089 360 Y HA -0.226 4.324 4.550 0.000 0.000 0.282 360 Y C 1.507 177.406 175.900 -0.003 0.000 1.139 360 Y CA 1.981 60.083 58.100 0.004 0.000 1.123 360 Y CB -0.458 38.006 38.460 0.007 0.000 0.980 360 Y HN -0.168 nan 8.280 nan 0.000 0.493 361 D N -0.380 120.022 120.400 0.003 0.000 2.228 361 D HA -0.192 4.448 4.640 0.000 0.000 0.203 361 D C 2.182 178.406 176.300 -0.126 0.000 0.988 361 D CA 1.523 55.463 54.000 -0.101 0.000 0.864 361 D CB -0.259 40.552 40.800 0.017 0.000 0.928 361 D HN 0.344 nan 8.370 nan 0.000 0.469 362 R N 0.396 120.851 120.500 -0.075 0.000 2.062 362 R HA -0.083 4.257 4.340 0.000 0.000 0.226 362 R C 1.655 177.901 176.300 -0.090 0.000 1.125 362 R CA 0.878 56.941 56.100 -0.061 0.000 0.966 362 R CB 0.189 30.475 30.300 -0.023 0.000 0.861 362 R HN 0.026 nan 8.270 nan 0.000 0.433 363 E N 0.870 121.002 120.200 -0.112 0.000 2.110 363 E HA -0.177 4.173 4.350 0.000 0.000 0.193 363 E C 1.810 178.314 176.600 -0.159 0.000 0.988 363 E CA 0.989 57.322 56.400 -0.112 0.000 0.804 363 E CB -0.042 29.604 29.700 -0.090 0.000 0.745 363 E HN 0.189 nan 8.360 nan 0.000 0.458 364 K N 0.632 120.867 120.400 -0.274 0.000 2.097 364 K HA -0.015 4.305 4.320 0.000 0.000 0.205 364 K C 2.385 178.891 176.600 -0.156 0.000 1.050 364 K CA 0.527 56.656 56.287 -0.263 0.000 0.938 364 K CB -0.438 31.817 32.500 -0.409 0.000 0.718 364 K HN 0.199 nan 8.250 nan 0.000 0.442 365 L N 0.936 122.079 121.223 -0.132 0.000 2.109 365 L HA -0.160 4.180 4.340 0.000 0.000 0.207 365 L C 2.546 179.377 176.870 -0.065 0.000 1.086 365 L CA 1.084 55.872 54.840 -0.087 0.000 0.760 365 L CB -0.338 41.678 42.059 -0.071 0.000 0.910 365 L HN 0.212 nan 8.230 nan 0.000 0.437 366 Q N -0.136 119.627 119.800 -0.062 0.000 2.124 366 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 366 Q C 2.073 178.050 176.000 -0.037 0.000 0.977 366 Q CA 1.382 57.159 55.803 -0.042 0.000 0.850 366 Q CB -0.088 28.628 28.738 -0.037 0.000 0.901 366 Q HN 0.529 nan 8.270 nan 0.000 0.429 367 E N 0.526 120.698 120.200 -0.047 0.000 2.085 367 E HA -0.194 4.156 4.350 0.000 0.000 0.194 367 E C 2.099 178.683 176.600 -0.026 0.000 0.994 367 E CA 0.842 57.222 56.400 -0.033 0.000 0.801 367 E CB -0.005 29.670 29.700 -0.041 0.000 0.743 367 E HN 0.264 nan 8.360 nan 0.000 0.453 368 R N 0.365 120.841 120.500 -0.039 0.000 2.066 368 R HA -0.124 4.216 4.340 0.000 0.000 0.232 368 R C 2.730 179.015 176.300 -0.024 0.000 1.131 368 R CA 1.632 57.711 56.100 -0.034 0.000 0.955 368 R CB -0.663 29.608 30.300 -0.049 0.000 0.851 368 R HN 0.220 nan 8.270 nan 0.000 0.432 369 V N -1.348 118.551 119.914 -0.025 0.000 2.427 369 V HA -0.091 4.029 4.120 0.000 0.000 0.248 369 V C 2.370 178.457 176.094 -0.011 0.000 1.051 369 V CA 1.706 63.995 62.300 -0.018 0.000 1.048 369 V CB -1.050 30.761 31.823 -0.019 0.000 0.666 369 V HN 0.236 nan 8.190 nan 0.000 0.456 370 A N 0.600 123.414 122.820 -0.010 0.000 1.908 370 A HA -0.224 4.096 4.320 0.000 0.000 0.218 370 A C 2.341 179.927 177.584 0.003 0.000 1.181 370 A CA 2.397 54.432 52.037 -0.003 0.000 0.627 370 A CB -0.590 18.408 19.000 -0.003 0.000 0.818 370 A HN 0.641 nan 8.150 nan 0.000 0.445 371 K N -1.223 119.180 120.400 0.006 0.000 1.984 371 K HA -0.050 4.271 4.320 0.000 0.000 0.209 371 K C 1.923 178.531 176.600 0.014 0.000 1.046 371 K CA 1.283 57.581 56.287 0.017 0.000 0.934 371 K CB -0.353 32.162 32.500 0.026 0.000 0.717 371 K HN 0.322 nan 8.250 nan 0.000 0.438 372 L N 0.775 122.000 121.223 0.004 0.000 2.046 372 L HA -0.118 4.222 4.340 0.000 0.000 0.208 372 L C 2.109 178.979 176.870 0.001 0.000 1.077 372 L CA 1.779 56.620 54.840 0.001 0.000 0.747 372 L CB -0.620 41.434 42.059 -0.007 0.000 0.896 372 L HN 0.165 nan 8.230 nan 0.000 0.432 373 A N -1.471 121.348 122.820 -0.001 0.000 1.935 373 A HA 0.140 4.460 4.320 0.000 0.000 0.214 373 A C 2.289 179.874 177.584 0.001 0.000 1.178 373 A CA 0.884 52.920 52.037 -0.001 0.000 0.640 373 A CB -1.153 17.845 19.000 -0.004 0.000 0.825 373 A HN 0.435 nan 8.150 nan 0.000 0.447 374 G N -0.630 108.171 108.800 0.002 0.000 2.432 374 G HA2 0.313 4.273 3.960 0.000 0.000 0.219 374 G HA3 0.313 4.273 3.960 0.000 0.000 0.219 374 G C 1.221 176.124 174.900 0.004 0.000 1.135 374 G CA 0.881 45.982 45.100 0.003 0.000 0.767 374 G HN 1.668 nan 8.290 nan 0.000 0.550 375 G N -1.750 107.055 108.800 0.007 0.000 2.645 375 G HA2 -0.003 3.957 3.960 0.000 0.000 0.239 375 G HA3 -0.003 3.957 3.960 0.000 0.000 0.239 375 G C -0.630 174.274 174.900 0.008 0.000 1.331 375 G CA -0.181 44.923 45.100 0.007 0.000 0.890 375 G HN 1.101 nan 8.290 nan 0.000 0.572 376 V N 0.194 120.110 119.914 0.004 0.000 2.668 376 V HA 0.701 4.821 4.120 0.000 0.000 0.304 376 V C 0.606 176.697 176.094 -0.005 0.000 1.071 376 V CA -0.074 62.227 62.300 0.001 0.000 0.894 376 V CB 1.405 33.230 31.823 0.003 0.000 1.008 376 V HN 2.157 nan 8.190 nan 0.000 0.425 377 A N 4.579 127.394 122.820 -0.008 0.000 2.362 377 A HA 0.714 5.034 4.320 0.000 0.000 0.276 377 A C -0.414 177.160 177.584 -0.016 0.000 1.153 377 A CA -0.253 51.777 52.037 -0.012 0.000 0.813 377 A CB 0.605 19.597 19.000 -0.014 0.000 1.081 377 A HN 0.788 nan 8.150 nan 0.000 0.507 378 V N 5.126 125.031 119.914 -0.014 0.000 2.334 378 V HA 0.279 4.399 4.120 0.000 0.000 0.281 378 V C -0.105 175.979 176.094 -0.017 0.000 1.016 378 V CA -0.147 62.143 62.300 -0.016 0.000 0.832 378 V CB 1.003 32.818 31.823 -0.013 0.000 0.999 378 V HN 0.738 nan 8.190 nan 0.000 0.439 379 I N 5.242 125.800 120.570 -0.021 0.000 2.315 379 I HA 0.367 4.537 4.170 0.000 0.000 0.291 379 I C 0.268 176.374 176.117 -0.018 0.000 1.006 379 I CA -0.374 60.914 61.300 -0.021 0.000 1.265 379 I CB 1.014 38.999 38.000 -0.026 0.000 1.387 379 I HN 0.488 nan 8.210 nan 0.000 0.475 380 K N 6.160 126.551 120.400 -0.015 0.000 2.299 380 K HA 0.379 4.699 4.320 0.000 0.000 0.268 380 K C -0.629 175.964 176.600 -0.012 0.000 1.075 380 K CA -0.638 55.641 56.287 -0.013 0.000 0.936 380 K CB 1.684 34.178 32.500 -0.011 0.000 1.228 380 K HN 0.336 nan 8.250 nan 0.000 0.454 381 V N 3.004 122.911 119.914 -0.012 0.000 2.694 381 V HA -0.070 4.050 4.120 0.000 0.000 0.306 381 V C 1.517 177.606 176.094 -0.008 0.000 1.054 381 V CA 0.369 62.663 62.300 -0.010 0.000 1.161 381 V CB 0.531 32.348 31.823 -0.010 0.000 0.916 381 V HN 0.955 nan 8.190 nan 0.000 0.490 382 G N 2.994 111.790 108.800 -0.008 0.000 2.413 382 G HA2 0.426 4.386 3.960 0.000 0.000 0.300 382 G HA3 0.426 4.386 3.960 0.000 0.000 0.300 382 G C 0.296 175.193 174.900 -0.006 0.000 1.370 382 G CA 0.528 45.624 45.100 -0.006 0.000 1.110 382 G HN 1.275 nan 8.290 nan 0.000 0.596 383 A N -2.979 119.838 122.820 -0.005 0.000 3.865 383 A HA 0.854 5.174 4.320 0.000 0.000 0.150 383 A C 0.415 177.996 177.584 -0.003 0.000 0.996 383 A CA 0.939 52.973 52.037 -0.004 0.000 1.746 383 A CB -0.408 18.590 19.000 -0.004 0.000 2.443 383 A HN 2.624 nan 8.150 nan 0.000 1.021 384 A N -0.489 122.329 122.820 -0.003 0.000 2.419 384 A HA 0.548 4.868 4.320 0.000 0.000 0.262 384 A C 1.020 178.602 177.584 -0.002 0.000 1.352 384 A CA 1.272 53.308 52.037 -0.003 0.000 0.709 384 A CB -2.620 16.379 19.000 -0.003 0.000 1.150 384 A HN 3.518 nan 8.150 nan 0.000 0.329 385 T N -1.700 112.853 114.554 -0.002 0.000 0.552 385 T HA -0.080 4.270 4.350 0.000 0.000 0.773 385 T C 0.312 175.011 174.700 -0.002 0.000 0.992 385 T CA 1.464 63.563 62.100 -0.002 0.000 4.070 385 T CB -1.207 67.660 68.868 -0.001 0.000 2.299 385 T HN 1.974 nan 8.240 nan 0.000 0.397 386 E N 1.438 121.637 120.200 -0.001 0.000 2.171 386 E HA -0.137 4.213 4.350 0.000 0.000 0.197 386 E C 1.983 178.582 176.600 -0.001 0.000 0.997 386 E CA 2.100 58.499 56.400 -0.001 0.000 0.810 386 E CB -0.101 29.599 29.700 -0.001 0.000 0.738 386 E HN 0.675 nan 8.360 nan 0.000 0.467 387 V N 1.024 120.938 119.914 -0.000 0.000 2.244 387 V HA -0.228 3.892 4.120 0.000 0.000 0.244 387 V C 2.114 178.208 176.094 -0.000 0.000 1.042 387 V CA 2.114 64.414 62.300 0.000 0.000 1.006 387 V CB -0.642 31.181 31.823 0.000 0.000 0.641 387 V HN 0.257 nan 8.190 nan 0.000 0.446 388 E N -0.186 120.013 120.200 -0.001 0.000 2.118 388 E HA -0.259 4.091 4.350 0.000 0.000 0.195 388 E C 2.202 178.801 176.600 -0.001 0.000 0.992 388 E CA 1.509 57.908 56.400 -0.001 0.000 0.804 388 E CB -0.268 29.431 29.700 -0.002 0.000 0.741 388 E HN 0.419 nan 8.360 nan 0.000 0.458 389 M N 1.093 120.692 119.600 -0.002 0.000 2.080 389 M HA -0.185 4.295 4.480 0.000 0.000 0.260 389 M C 1.681 177.980 176.300 -0.002 0.000 1.068 389 M CA 1.585 56.884 55.300 -0.002 0.000 1.109 389 M CB -0.160 32.438 32.600 -0.003 0.000 1.342 389 M HN -0.101 nan 8.290 nan 0.000 0.405 390 K N 0.068 120.467 120.400 -0.000 0.000 2.148 390 K HA -0.129 4.191 4.320 0.000 0.000 0.204 390 K C 1.867 178.469 176.600 0.002 0.000 1.050 390 K CA 0.983 57.271 56.287 0.001 0.000 0.942 390 K CB -0.543 31.958 32.500 0.002 0.000 0.724 390 K HN 0.512 nan 8.250 nan 0.000 0.446 391 E N 1.777 121.978 120.200 0.001 0.000 2.107 391 E HA -0.167 4.183 4.350 0.000 0.000 0.191 391 E C 1.903 178.504 176.600 0.001 0.000 0.982 391 E CA 1.053 57.454 56.400 0.002 0.000 0.809 391 E CB 0.153 29.854 29.700 0.001 0.000 0.756 391 E HN 0.198 nan 8.360 nan 0.000 0.459 392 K N 1.035 121.435 120.400 -0.001 0.000 2.062 392 K HA -0.136 4.185 4.320 0.000 0.000 0.205 392 K C 2.357 178.955 176.600 -0.003 0.000 1.051 392 K CA 1.226 57.511 56.287 -0.002 0.000 0.941 392 K CB -0.082 32.415 32.500 -0.004 0.000 0.719 392 K HN -0.076 nan 8.250 nan 0.000 0.440 393 K N 0.224 120.622 120.400 -0.003 0.000 2.152 393 K HA -0.160 4.160 4.320 0.000 0.000 0.206 393 K C 1.837 178.436 176.600 -0.001 0.000 1.048 393 K CA 1.276 57.561 56.287 -0.004 0.000 0.933 393 K CB -0.127 32.372 32.500 -0.003 0.000 0.721 393 K HN 0.244 nan 8.250 nan 0.000 0.447 394 A N 1.382 124.205 122.820 0.005 0.000 1.872 394 A HA -0.110 4.210 4.320 0.000 0.000 0.214 394 A C 2.054 179.647 177.584 0.014 0.000 1.187 394 A CA 1.179 53.223 52.037 0.013 0.000 0.614 394 A CB -0.405 18.603 19.000 0.013 0.000 0.826 394 A HN 0.308 nan 8.150 nan 0.000 0.442 395 R N -0.519 119.986 120.500 0.008 0.000 2.105 395 R HA -0.100 4.240 4.340 0.000 0.000 0.239 395 R C 2.011 178.312 176.300 0.001 0.000 1.135 395 R CA 1.469 57.573 56.100 0.007 0.000 0.967 395 R CB -0.600 29.702 30.300 0.002 0.000 0.861 395 R HN 0.403 nan 8.270 nan 0.000 0.442 396 V N 0.996 120.906 119.914 -0.007 0.000 2.307 396 V HA -0.233 3.887 4.120 0.000 0.000 0.245 396 V C 2.080 178.151 176.094 -0.038 0.000 1.045 396 V CA 1.816 64.103 62.300 -0.021 0.000 1.024 396 V CB -0.441 31.367 31.823 -0.024 0.000 0.651 396 V HN 0.323 nan 8.190 nan 0.000 0.449 397 E N -0.156 120.024 120.200 -0.032 0.000 2.085 397 E HA -0.245 4.105 4.350 0.000 0.000 0.194 397 E C 2.000 178.583 176.600 -0.029 0.000 0.994 397 E CA 1.625 57.989 56.400 -0.061 0.000 0.801 397 E CB -0.091 29.609 29.700 0.001 0.000 0.743 397 E HN 0.618 nan 8.360 nan 0.000 0.453 398 D N -0.208 120.228 120.400 0.060 0.000 2.084 398 D HA -0.120 4.520 4.640 0.000 0.000 0.196 398 D C 1.927 178.269 176.300 0.070 0.000 0.985 398 D CA 1.217 55.291 54.000 0.123 0.000 0.826 398 D CB -0.310 40.537 40.800 0.078 0.000 0.978 398 D HN 0.179 nan 8.370 nan 0.000 0.456 399 A N 1.138 123.970 122.820 0.021 0.000 1.948 399 A HA -0.202 4.118 4.320 0.000 0.000 0.220 399 A C 2.185 179.762 177.584 -0.012 0.000 1.177 399 A CA 1.182 53.223 52.037 0.007 0.000 0.636 399 A CB -0.753 18.244 19.000 -0.005 0.000 0.815 399 A HN 0.220 nan 8.150 nan 0.000 0.449 400 L N -0.691 120.494 121.223 -0.063 0.000 1.994 400 L HA -0.182 4.158 4.340 0.000 0.000 0.208 400 L C 2.439 179.250 176.870 -0.097 0.000 1.071 400 L CA 2.315 57.084 54.840 -0.118 0.000 0.745 400 L CB -0.843 41.084 42.059 -0.220 0.000 0.892 400 L HN 0.532 nan 8.230 nan 0.000 0.431 401 H N -0.509 118.559 119.070 -0.003 0.000 2.352 401 H HA -0.082 4.474 4.556 0.000 0.000 0.299 401 H C 2.104 177.432 175.328 0.000 0.000 1.097 401 H CA 1.480 57.526 56.048 -0.002 0.000 1.311 401 H CB -0.470 29.290 29.762 -0.004 0.000 1.377 401 H HN 0.515 nan 8.280 nan 0.000 0.504 402 A N 0.451 123.346 122.820 0.124 0.000 1.898 402 A HA -0.139 4.181 4.320 0.000 0.000 0.216 402 A C 2.641 180.251 177.584 0.043 0.000 1.181 402 A CA 2.032 54.111 52.037 0.069 0.000 0.620 402 A CB -0.806 18.223 19.000 0.049 0.000 0.819 402 A HN 0.399 nan 8.150 nan 0.000 0.442 403 T N -0.664 113.907 114.554 0.028 0.000 2.777 403 T HA -0.117 4.233 4.350 0.000 0.000 0.266 403 T C 2.092 176.803 174.700 0.017 0.000 1.040 403 T CA 1.601 63.709 62.100 0.014 0.000 1.141 403 T CB -0.215 68.653 68.868 -0.000 0.000 0.868 403 T HN 0.470 nan 8.240 nan 0.000 0.444 404 R N 1.823 122.336 120.500 0.022 0.000 2.091 404 R HA 0.025 4.365 4.340 0.000 0.000 0.238 404 R C 2.370 178.691 176.300 0.035 0.000 1.136 404 R CA 1.799 57.915 56.100 0.026 0.000 0.959 404 R CB -0.947 29.376 30.300 0.037 0.000 0.856 404 R HN 0.358 nan 8.270 nan 0.000 0.437 405 A N -0.037 122.810 122.820 0.046 0.000 1.898 405 A HA 0.034 4.354 4.320 0.000 0.000 0.216 405 A C 2.340 179.942 177.584 0.030 0.000 1.181 405 A CA 1.562 53.623 52.037 0.041 0.000 0.620 405 A CB -0.969 18.058 19.000 0.046 0.000 0.819 405 A HN 0.472 nan 8.150 nan 0.000 0.442 406 A N -0.620 122.216 122.820 0.027 0.000 1.972 406 A HA 0.014 4.334 4.320 0.000 0.000 0.219 406 A C 2.132 179.726 177.584 0.017 0.000 1.169 406 A CA 1.707 53.756 52.037 0.020 0.000 0.635 406 A CB -0.721 18.290 19.000 0.018 0.000 0.810 406 A HN 0.374 nan 8.150 nan 0.000 0.446 407 V N -0.192 119.732 119.914 0.017 0.000 2.667 407 V HA -0.190 3.930 4.120 0.000 0.000 0.252 407 V C 2.279 178.382 176.094 0.015 0.000 1.065 407 V CA 2.043 64.351 62.300 0.014 0.000 1.083 407 V CB -0.572 31.258 31.823 0.012 0.000 0.692 407 V HN 0.636 nan 8.190 nan 0.000 0.468 408 E N -0.184 120.027 120.200 0.019 0.000 2.122 408 E HA -0.080 4.270 4.350 0.000 0.000 0.190 408 E C 1.392 178.003 176.600 0.018 0.000 0.977 408 E CA 1.002 57.413 56.400 0.019 0.000 0.820 408 E CB 0.147 29.861 29.700 0.024 0.000 0.770 408 E HN 0.644 nan 8.360 nan 0.000 0.462 409 E N -0.729 119.482 120.200 0.018 0.000 2.743 409 E HA 0.224 4.574 4.350 0.000 0.000 0.222 409 E C 0.194 176.803 176.600 0.015 0.000 0.959 409 E CA 0.086 56.496 56.400 0.016 0.000 1.198 409 E CB 1.704 31.414 29.700 0.017 0.000 1.100 409 E HN 0.221 nan 8.360 nan 0.000 0.518 410 G N 1.308 110.117 108.800 0.016 0.000 2.632 410 G HA2 -0.217 3.743 3.960 0.000 0.000 0.224 410 G HA3 -0.217 3.743 3.960 0.000 0.000 0.224 410 G C -0.267 174.642 174.900 0.016 0.000 1.341 410 G CA -0.409 44.700 45.100 0.015 0.000 0.880 410 G HN 0.560 nan 8.290 nan 0.000 0.566 411 V N -2.674 117.249 119.914 0.015 0.000 3.040 411 V HA 0.989 5.109 4.120 0.000 0.000 0.312 411 V C 0.488 176.591 176.094 0.016 0.000 1.115 411 V CA 0.136 62.445 62.300 0.015 0.000 0.998 411 V CB 1.422 33.253 31.823 0.013 0.000 1.042 411 V HN 2.448 nan 8.190 nan 0.000 0.433 412 V N -0.990 118.934 119.914 0.016 0.000 3.181 412 V HA 0.987 5.107 4.120 0.000 0.000 0.308 412 V C 0.420 176.523 176.094 0.015 0.000 1.214 412 V CA -0.756 61.555 62.300 0.017 0.000 1.053 412 V CB 1.272 33.106 31.823 0.018 0.000 1.069 412 V HN 2.056 nan 8.190 nan 0.000 0.441 413 A N 1.142 123.972 122.820 0.018 0.000 2.515 413 A HA 0.619 4.939 4.320 0.000 0.000 0.263 413 A C 0.918 178.507 177.584 0.008 0.000 1.096 413 A CA 0.684 52.728 52.037 0.013 0.000 0.769 413 A CB -0.764 18.247 19.000 0.019 0.000 1.040 413 A HN 1.870 nan 8.150 nan 0.000 0.505 414 G N 1.371 110.171 108.800 0.000 0.000 2.485 414 G HA2 0.492 4.452 3.960 0.000 0.000 0.260 414 G HA3 0.492 4.452 3.960 0.000 0.000 0.260 414 G C 1.211 176.108 174.900 -0.005 0.000 1.459 414 G CA -0.032 45.067 45.100 -0.001 0.000 1.060 414 G HN 2.195 nan 8.290 nan 0.000 0.546 415 G N -2.155 106.641 108.800 -0.007 0.000 2.187 415 G HA2 0.198 4.158 3.960 0.000 0.000 0.261 415 G HA3 0.198 4.158 3.960 0.000 0.000 0.261 415 G C 1.555 176.461 174.900 0.011 0.000 1.000 415 G CA 1.220 46.318 45.100 -0.004 0.000 0.718 415 G HN 2.480 nan 8.290 nan 0.000 0.519 416 G N -2.286 106.520 108.800 0.010 0.000 2.162 416 G HA2 -0.108 3.852 3.960 0.000 0.000 0.260 416 G HA3 -0.108 3.852 3.960 0.000 0.000 0.260 416 G C 1.900 176.810 174.900 0.018 0.000 0.976 416 G CA 1.977 47.086 45.100 0.015 0.000 0.655 416 G HN 2.240 nan 8.290 nan 0.000 0.533 417 V N -1.897 118.027 119.914 0.017 0.000 2.719 417 V HA 0.421 4.541 4.120 0.000 0.000 0.252 417 V C 2.746 178.857 176.094 0.028 0.000 1.065 417 V CA 1.908 64.222 62.300 0.023 0.000 1.086 417 V CB -0.565 31.267 31.823 0.014 0.000 0.700 417 V HN 1.388 nan 8.190 nan 0.000 0.467 418 A N 0.792 123.626 122.820 0.024 0.000 1.883 418 A HA -0.090 4.230 4.320 0.000 0.000 0.217 418 A C 2.254 179.853 177.584 0.025 0.000 1.186 418 A CA 2.295 54.348 52.037 0.026 0.000 0.624 418 A CB -0.738 18.275 19.000 0.021 0.000 0.822 418 A HN 0.587 nan 8.150 nan 0.000 0.444 419 L N -0.992 120.244 121.223 0.022 0.000 2.017 419 L HA -0.145 4.195 4.340 0.000 0.000 0.208 419 L C 2.547 179.431 176.870 0.022 0.000 1.073 419 L CA 1.568 56.420 54.840 0.020 0.000 0.745 419 L CB -0.315 41.755 42.059 0.018 0.000 0.894 419 L HN 0.531 nan 8.230 nan 0.000 0.432 420 I N -0.448 120.137 120.570 0.025 0.000 2.394 420 I HA -0.295 3.875 4.170 0.000 0.000 0.251 420 I C 2.736 178.874 176.117 0.035 0.000 1.136 420 I CA 0.920 62.237 61.300 0.028 0.000 1.425 420 I CB 0.020 38.038 38.000 0.029 0.000 1.079 420 I HN 0.190 nan 8.210 nan 0.000 0.425 421 R N 0.400 120.925 120.500 0.041 0.000 2.066 421 R HA -0.104 4.236 4.340 0.000 0.000 0.232 421 R C 2.028 178.350 176.300 0.037 0.000 1.131 421 R CA 2.034 58.163 56.100 0.049 0.000 0.955 421 R CB -1.061 29.272 30.300 0.056 0.000 0.851 421 R HN 0.247 nan 8.270 nan 0.000 0.432 422 V N 0.888 120.820 119.914 0.030 0.000 2.407 422 V HA -0.208 3.912 4.120 0.000 0.000 0.248 422 V C 2.261 178.367 176.094 0.020 0.000 1.055 422 V CA 2.003 64.317 62.300 0.023 0.000 1.049 422 V CB -0.703 31.131 31.823 0.019 0.000 0.662 422 V HN 0.582 nan 8.190 nan 0.000 0.455 423 A N 0.195 123.027 122.820 0.020 0.000 1.930 423 A HA -0.184 4.137 4.320 0.000 0.000 0.217 423 A C 2.514 180.109 177.584 0.018 0.000 1.175 423 A CA 1.973 54.020 52.037 0.017 0.000 0.627 423 A CB -0.783 18.227 19.000 0.016 0.000 0.815 423 A HN 0.711 nan 8.150 nan 0.000 0.443 424 S N 0.031 115.745 115.700 0.024 0.000 2.440 424 S HA -0.169 4.301 4.470 0.000 0.000 0.238 424 S C 1.591 176.203 174.600 0.021 0.000 1.010 424 S CA 1.576 59.790 58.200 0.024 0.000 0.972 424 S CB -0.367 62.853 63.200 0.034 0.000 0.774 424 S HN 0.631 nan 8.310 nan 0.000 0.501 425 K N 0.504 120.916 120.400 0.020 0.000 2.361 425 K HA 0.286 4.606 4.320 0.000 0.000 0.196 425 K C 0.910 177.517 176.600 0.012 0.000 1.039 425 K CA 0.329 56.625 56.287 0.016 0.000 1.001 425 K CB -0.086 32.424 32.500 0.017 0.000 0.795 425 K HN 0.425 nan 8.250 nan 0.000 0.495 426 L N 0.705 121.935 121.223 0.011 0.000 2.728 426 L HA 0.214 4.554 4.340 0.000 0.000 0.235 426 L C 1.746 178.620 176.870 0.008 0.000 1.197 426 L CA -0.313 54.532 54.840 0.008 0.000 0.992 426 L CB -0.056 42.008 42.059 0.008 0.000 1.263 426 L HN 0.049 nan 8.230 nan 0.000 0.484 427 A N -0.043 122.782 122.820 0.008 0.000 2.076 427 A HA -0.186 4.134 4.320 0.000 0.000 0.220 427 A C 1.574 179.161 177.584 0.005 0.000 1.160 427 A CA 1.629 53.670 52.037 0.007 0.000 0.653 427 A CB -0.175 18.830 19.000 0.008 0.000 0.801 427 A HN 0.397 nan 8.150 nan 0.000 0.455 428 D N -1.304 119.099 120.400 0.005 0.000 2.369 428 D HA 0.163 4.803 4.640 0.000 0.000 0.211 428 D C 0.162 176.464 176.300 0.003 0.000 1.077 428 D CA -0.310 53.692 54.000 0.004 0.000 0.842 428 D CB 0.001 40.803 40.800 0.003 0.000 0.947 428 D HN 0.343 nan 8.370 nan 0.000 0.509 429 L N 2.116 123.341 121.223 0.003 0.000 2.499 429 L HA 0.055 4.395 4.340 0.000 0.000 0.273 429 L C 0.131 177.002 176.870 0.002 0.000 1.195 429 L CA 0.642 55.483 54.840 0.003 0.000 0.882 429 L CB 0.122 42.183 42.059 0.003 0.000 1.133 429 L HN -0.217 nan 8.230 nan 0.000 0.483 430 R N 3.236 123.737 120.500 0.002 0.000 2.867 430 R HA 0.696 5.036 4.340 0.000 0.000 0.268 430 R C -0.139 176.161 176.300 0.001 0.000 1.014 430 R CA -0.312 55.788 56.100 0.001 0.000 0.946 430 R CB 1.490 31.791 30.300 0.001 0.000 1.208 430 R HN 0.803 nan 8.270 nan 0.000 0.477 431 G N -0.329 108.472 108.800 0.001 0.000 3.008 431 G HA2 0.209 4.169 3.960 0.000 0.000 0.181 431 G HA3 0.209 4.169 3.960 0.000 0.000 0.181 431 G C 0.057 174.957 174.900 0.000 0.000 1.309 431 G CA -0.200 44.901 45.100 0.001 0.000 1.009 431 G HN 0.417 nan 8.290 nan 0.000 0.584 432 Q N -0.582 119.218 119.800 0.000 0.000 2.376 432 Q HA 0.140 4.480 4.340 0.000 0.000 0.206 432 Q C 0.010 176.011 176.000 0.001 0.000 0.921 432 Q CA 0.681 56.484 55.803 0.000 0.000 0.911 432 Q CB 0.210 28.948 28.738 0.000 0.000 1.032 432 Q HN 0.624 nan 8.270 nan 0.000 0.510 433 N N -2.011 116.690 118.700 0.001 0.000 2.972 433 N HA 0.084 4.824 4.740 0.000 0.000 0.262 433 N C -0.088 175.423 175.510 0.001 0.000 1.478 433 N CA -0.615 52.435 53.050 0.001 0.000 0.841 433 N CB 0.475 38.962 38.487 0.001 0.000 1.512 433 N HN -0.359 nan 8.380 nan 0.000 0.548 434 E N -0.216 119.985 120.200 0.001 0.000 2.153 434 E HA -0.130 4.220 4.350 0.000 0.000 0.194 434 E C 0.294 176.895 176.600 0.001 0.000 0.988 434 E CA 1.106 57.506 56.400 0.001 0.000 0.811 434 E CB -0.268 29.432 29.700 0.001 0.000 0.746 434 E HN 0.561 nan 8.360 nan 0.000 0.466 435 D N 0.508 120.909 120.400 0.001 0.000 2.097 435 D HA -0.151 4.489 4.640 0.000 0.000 0.195 435 D C 1.976 178.277 176.300 0.002 0.000 0.989 435 D CA 0.889 54.890 54.000 0.002 0.000 0.827 435 D CB -0.181 40.620 40.800 0.002 0.000 0.966 435 D HN 0.269 nan 8.370 nan 0.000 0.456 436 Q N 0.136 119.937 119.800 0.002 0.000 2.135 436 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 436 Q C 1.845 177.846 176.000 0.002 0.000 0.981 436 Q CA 0.782 56.586 55.803 0.002 0.000 0.856 436 Q CB 0.043 28.782 28.738 0.001 0.000 0.902 436 Q HN 0.246 nan 8.270 nan 0.000 0.425 437 N N -0.208 118.493 118.700 0.002 0.000 2.166 437 N HA -0.123 4.617 4.740 0.000 0.000 0.186 437 N C 1.824 177.335 175.510 0.002 0.000 1.019 437 N CA 1.014 54.065 53.050 0.002 0.000 0.856 437 N CB -0.234 38.254 38.487 0.002 0.000 0.993 437 N HN 0.065 nan 8.380 nan 0.000 0.426 438 V N 1.001 120.917 119.914 0.002 0.000 2.343 438 V HA -0.149 3.972 4.120 0.000 0.000 0.247 438 V C 2.487 178.583 176.094 0.003 0.000 1.051 438 V CA 1.994 64.296 62.300 0.003 0.000 1.036 438 V CB -1.263 30.561 31.823 0.003 0.000 0.654 438 V HN 0.324 nan 8.190 nan 0.000 0.451 439 G N 0.080 108.882 108.800 0.003 0.000 2.446 439 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 439 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 439 G C 1.573 176.475 174.900 0.003 0.000 1.168 439 G CA 1.219 46.321 45.100 0.003 0.000 0.771 439 G HN 0.481 nan 8.290 nan 0.000 0.551 440 I N 0.394 120.966 120.570 0.003 0.000 2.163 440 I HA -0.174 3.996 4.170 0.000 0.000 0.243 440 I C 2.692 178.811 176.117 0.004 0.000 1.085 440 I CA 1.191 62.493 61.300 0.003 0.000 1.347 440 I CB -0.154 37.848 38.000 0.002 0.000 1.044 440 I HN 0.046 nan 8.210 nan 0.000 0.408 441 K N 0.457 120.859 120.400 0.004 0.000 2.211 441 K HA -0.057 4.263 4.320 0.000 0.000 0.203 441 K C 2.097 178.700 176.600 0.005 0.000 1.050 441 K CA 0.902 57.191 56.287 0.004 0.000 0.945 441 K CB -0.507 31.995 32.500 0.004 0.000 0.732 441 K HN 0.237 nan 8.250 nan 0.000 0.451 442 V N 1.511 121.427 119.914 0.005 0.000 2.358 442 V HA -0.221 3.899 4.120 0.000 0.000 0.246 442 V C 2.452 178.549 176.094 0.006 0.000 1.047 442 V CA 1.948 64.251 62.300 0.005 0.000 1.035 442 V CB -0.671 31.155 31.823 0.005 0.000 0.658 442 V HN 0.275 nan 8.190 nan 0.000 0.452 443 A N -0.239 122.584 122.820 0.005 0.000 1.873 443 A HA -0.118 4.202 4.320 0.000 0.000 0.215 443 A C 2.188 179.776 177.584 0.007 0.000 1.186 443 A CA 1.619 53.659 52.037 0.006 0.000 0.616 443 A CB -0.551 18.452 19.000 0.004 0.000 0.823 443 A HN 0.479 nan 8.150 nan 0.000 0.442 444 L N -1.143 120.084 121.223 0.007 0.000 2.079 444 L HA -0.188 4.152 4.340 0.000 0.000 0.210 444 L C 2.821 179.697 176.870 0.009 0.000 1.081 444 L CA 1.737 56.582 54.840 0.008 0.000 0.752 444 L CB -0.509 41.555 42.059 0.008 0.000 0.896 444 L HN 0.447 nan 8.230 nan 0.000 0.433 445 R N 0.225 120.729 120.500 0.007 0.000 2.075 445 R HA -0.136 4.205 4.340 0.000 0.000 0.232 445 R C 2.373 178.677 176.300 0.007 0.000 1.126 445 R CA 1.307 57.411 56.100 0.007 0.000 0.963 445 R CB -0.182 30.122 30.300 0.006 0.000 0.858 445 R HN 0.334 nan 8.270 nan 0.000 0.435 446 A N 0.686 123.511 122.820 0.008 0.000 1.972 446 A HA -0.149 4.171 4.320 0.000 0.000 0.219 446 A C 2.059 179.649 177.584 0.010 0.000 1.169 446 A CA 1.299 53.342 52.037 0.009 0.000 0.635 446 A CB -0.397 18.608 19.000 0.009 0.000 0.810 446 A HN 0.336 nan 8.150 nan 0.000 0.446 447 M N -0.495 119.111 119.600 0.011 0.000 2.623 447 M HA -0.142 4.338 4.480 0.000 0.000 0.258 447 M C 1.285 177.593 176.300 0.013 0.000 1.067 447 M CA 1.083 56.390 55.300 0.012 0.000 1.068 447 M CB -0.256 32.352 32.600 0.013 0.000 1.409 447 M HN 0.481 nan 8.290 nan 0.000 0.504 448 E N -0.214 119.993 120.200 0.010 0.000 2.447 448 E HA 0.073 4.423 4.350 0.000 0.000 0.195 448 E C 2.038 178.641 176.600 0.006 0.000 1.028 448 E CA 0.318 56.723 56.400 0.009 0.000 0.876 448 E CB 0.142 29.846 29.700 0.007 0.000 0.885 448 E HN 0.479 nan 8.360 nan 0.000 0.500 449 A N 2.471 125.295 122.820 0.006 0.000 1.873 449 A HA -0.158 4.162 4.320 0.000 0.000 0.218 449 A C -0.318 177.270 177.584 0.005 0.000 1.193 449 A CA 1.447 53.487 52.037 0.005 0.000 0.629 449 A CB -1.487 17.517 19.000 0.007 0.000 0.826 449 A HN 0.122 nan 8.150 nan 0.000 0.447 450 P HA -0.174 nan 4.420 nan 0.000 0.214 450 P C 1.848 179.153 177.300 0.009 0.000 1.163 450 P CA 0.944 64.049 63.100 0.009 0.000 0.889 450 P CB -0.133 31.574 31.700 0.012 0.000 0.790 451 L N -0.733 120.496 121.223 0.009 0.000 1.989 451 L HA -0.221 4.119 4.340 0.000 0.000 0.211 451 L C 2.484 179.352 176.870 -0.004 0.000 1.071 451 L CA 1.924 56.769 54.840 0.009 0.000 0.749 451 L CB -0.434 41.630 42.059 0.008 0.000 0.890 451 L HN -0.107 nan 8.230 nan 0.000 0.431 452 R N -0.676 119.818 120.500 -0.011 0.000 2.103 452 R HA -0.279 4.061 4.340 0.000 0.000 0.242 452 R C 2.245 178.536 176.300 -0.014 0.000 1.142 452 R CA 2.007 58.095 56.100 -0.020 0.000 0.960 452 R CB -0.353 29.939 30.300 -0.014 0.000 0.858 452 R HN 0.380 nan 8.270 nan 0.000 0.439 453 Q N 0.952 120.750 119.800 -0.004 0.000 2.079 453 Q HA -0.083 4.257 4.340 0.000 0.000 0.200 453 Q C 1.860 177.862 176.000 0.004 0.000 0.974 453 Q CA 1.549 57.352 55.803 -0.001 0.000 0.840 453 Q CB -0.154 28.585 28.738 0.002 0.000 0.898 453 Q HN 0.360 nan 8.270 nan 0.000 0.430 454 I N -0.659 119.917 120.570 0.010 0.000 2.163 454 I HA -0.286 3.884 4.170 0.000 0.000 0.243 454 I C 2.030 178.166 176.117 0.033 0.000 1.085 454 I CA 1.060 62.374 61.300 0.023 0.000 1.347 454 I CB -0.318 37.702 38.000 0.034 0.000 1.044 454 I HN 0.079 nan 8.210 nan 0.000 0.408 455 V N 0.583 120.506 119.914 0.015 0.000 2.343 455 V HA -0.267 3.854 4.120 0.000 0.000 0.247 455 V C 2.368 178.457 176.094 -0.008 0.000 1.051 455 V CA 1.570 63.865 62.300 -0.009 0.000 1.036 455 V CB -0.495 31.259 31.823 -0.116 0.000 0.654 455 V HN 0.357 nan 8.190 nan 0.000 0.451 456 L N 0.778 121.994 121.223 -0.011 0.000 2.046 456 L HA -0.142 4.198 4.340 0.000 0.000 0.208 456 L C 2.167 179.039 176.870 0.003 0.000 1.077 456 L CA 1.910 56.745 54.840 -0.007 0.000 0.747 456 L CB -0.832 41.222 42.059 -0.008 0.000 0.896 456 L HN 0.306 nan 8.230 nan 0.000 0.432 457 N N -1.139 117.566 118.700 0.008 0.000 2.289 457 N HA -0.157 4.583 4.740 0.000 0.000 0.184 457 N C 1.705 177.224 175.510 0.015 0.000 1.016 457 N CA 1.528 54.584 53.050 0.010 0.000 0.872 457 N CB -0.650 37.842 38.487 0.009 0.000 0.973 457 N HN 0.429 nan 8.380 nan 0.000 0.433 458 C N -0.594 118.722 119.300 0.027 0.000 2.500 458 C HA 0.240 4.700 4.460 0.000 0.000 0.273 458 C C 1.642 176.650 174.990 0.030 0.000 1.428 458 C CA 0.396 59.437 59.018 0.038 0.000 1.766 458 C CB -1.117 26.672 27.740 0.081 0.000 1.817 458 C HN 0.623 nan 8.230 nan 0.000 0.543 459 G N 0.934 109.744 108.800 0.018 0.000 2.137 459 G HA2 -0.154 3.806 3.960 0.000 0.000 0.237 459 G HA3 -0.154 3.806 3.960 0.000 0.000 0.237 459 G C -0.188 174.719 174.900 0.011 0.000 1.002 459 G CA 0.157 45.264 45.100 0.012 0.000 0.702 459 G HN 0.503 nan 8.290 nan 0.000 0.515 460 E N -0.033 120.170 120.200 0.004 0.000 2.405 460 E HA 0.459 4.809 4.350 0.000 0.000 0.249 460 E C 0.063 176.642 176.600 -0.035 0.000 1.028 460 E CA -0.723 55.669 56.400 -0.014 0.000 0.897 460 E CB 0.659 30.339 29.700 -0.033 0.000 1.262 460 E HN 0.459 nan 8.360 nan 0.000 0.442 461 E N 1.467 121.637 120.200 -0.049 0.000 2.014 461 E HA 0.159 4.510 4.350 0.000 0.000 0.275 461 E C -1.817 174.740 176.600 -0.072 0.000 0.997 461 E CA -1.677 54.695 56.400 -0.046 0.000 0.804 461 E CB 1.130 30.813 29.700 -0.028 0.000 1.090 461 E HN 0.114 nan 8.360 nan 0.000 0.401 462 P HA -0.243 nan 4.420 nan 0.000 0.215 462 P C 1.196 178.463 177.300 -0.055 0.000 1.163 462 P CA 1.286 64.345 63.100 -0.068 0.000 0.894 462 P CB 0.291 31.966 31.700 -0.041 0.000 0.791 463 S N -0.808 114.872 115.700 -0.034 0.000 2.374 463 S HA -0.147 4.323 4.470 0.000 0.000 0.227 463 S C 1.962 176.549 174.600 -0.021 0.000 1.037 463 S CA 1.654 59.840 58.200 -0.022 0.000 1.024 463 S CB -1.303 61.888 63.200 -0.015 0.000 0.861 463 S HN -0.031 nan 8.310 nan 0.000 0.456 464 V N 1.149 121.046 119.914 -0.028 0.000 2.283 464 V HA -0.101 4.019 4.120 0.000 0.000 0.243 464 V C 2.321 178.407 176.094 -0.013 0.000 1.039 464 V CA 1.350 63.640 62.300 -0.017 0.000 1.016 464 V CB -0.861 30.954 31.823 -0.013 0.000 0.650 464 V HN 0.342 nan 8.190 nan 0.000 0.449 465 V N 0.585 120.457 119.914 -0.071 0.000 2.343 465 V HA -0.249 3.871 4.120 0.000 0.000 0.247 465 V C 2.766 178.851 176.094 -0.016 0.000 1.051 465 V CA 2.038 64.277 62.300 -0.102 0.000 1.036 465 V CB -1.220 30.321 31.823 -0.471 0.000 0.654 465 V HN 0.544 nan 8.190 nan 0.000 0.451 466 A N 0.420 123.219 122.820 -0.036 0.000 1.902 466 A HA -0.294 4.026 4.320 0.000 0.000 0.217 466 A C 2.080 179.681 177.584 0.029 0.000 1.181 466 A CA 2.353 54.390 52.037 0.000 0.000 0.623 466 A CB -0.873 18.122 19.000 -0.009 0.000 0.818 466 A HN 0.600 nan 8.150 nan 0.000 0.443 467 N N -0.641 118.070 118.700 0.019 0.000 2.104 467 N HA -0.121 4.619 4.740 0.000 0.000 0.190 467 N C 1.676 177.210 175.510 0.041 0.000 1.024 467 N CA 2.300 55.364 53.050 0.023 0.000 0.853 467 N CB -0.350 38.142 38.487 0.008 0.000 1.008 467 N HN 0.415 nan 8.380 nan 0.000 0.424 468 T N -0.665 113.920 114.554 0.053 0.000 2.812 468 T HA -0.028 4.322 4.350 0.000 0.000 0.264 468 T C 1.959 176.768 174.700 0.181 0.000 1.042 468 T CA 1.057 63.190 62.100 0.056 0.000 1.140 468 T CB -0.360 68.473 68.868 -0.059 0.000 0.870 468 T HN 0.001 nan 8.240 nan 0.000 0.445 469 V N 1.656 121.692 119.914 0.203 0.000 2.343 469 V HA -0.174 3.946 4.120 0.000 0.000 0.247 469 V C 2.461 178.673 176.094 0.197 0.000 1.051 469 V CA 1.556 63.980 62.300 0.207 0.000 1.036 469 V CB -0.481 31.414 31.823 0.121 0.000 0.654 469 V HN 0.462 nan 8.190 nan 0.000 0.451 470 K N 0.133 120.606 120.400 0.122 0.000 2.147 470 K HA -0.097 4.223 4.320 0.000 0.000 0.205 470 K C 2.239 178.892 176.600 0.089 0.000 1.049 470 K CA 1.300 57.641 56.287 0.091 0.000 0.936 470 K CB -0.573 31.959 32.500 0.055 0.000 0.722 470 K HN 0.570 nan 8.250 nan 0.000 0.446 471 G N 1.190 110.044 108.800 0.090 0.000 2.432 471 G HA2 -0.155 3.805 3.960 0.000 0.000 0.219 471 G HA3 -0.155 3.805 3.960 0.000 0.000 0.219 471 G C 0.870 175.791 174.900 0.034 0.000 1.135 471 G CA 0.918 46.048 45.100 0.049 0.000 0.767 471 G HN 0.395 nan 8.290 nan 0.000 0.550 472 G N -0.182 108.681 108.800 0.105 0.000 2.531 472 G HA2 0.486 4.446 3.960 0.000 0.000 0.253 472 G HA3 0.486 4.446 3.960 0.000 0.000 0.253 472 G C -0.513 174.436 174.900 0.081 0.000 1.439 472 G CA 0.368 45.469 45.100 0.001 0.000 1.056 472 G HN 0.437 nan 8.290 nan 0.000 0.555 473 D N -3.643 116.805 120.400 0.081 0.000 2.692 473 D HA 0.519 5.159 4.640 0.000 0.000 0.303 473 D C 0.628 176.998 176.300 0.115 0.000 1.278 473 D CA 0.463 54.516 54.000 0.088 0.000 0.852 473 D CB 0.594 41.414 40.800 0.033 0.000 1.375 473 D HN 1.714 nan 8.370 nan 0.000 0.453 474 G N 0.502 109.353 108.800 0.084 0.000 2.550 474 G HA2 -0.296 3.664 3.960 0.000 0.000 0.277 474 G HA3 -0.296 3.664 3.960 0.000 0.000 0.277 474 G C -0.066 174.896 174.900 0.104 0.000 1.190 474 G CA 0.401 45.550 45.100 0.081 0.000 0.971 474 G HN 0.740 nan 8.290 nan 0.000 0.559 475 N N 0.049 118.814 118.700 0.108 0.000 2.451 475 N HA 0.372 5.112 4.740 0.000 0.000 0.264 475 N C -0.290 175.303 175.510 0.137 0.000 1.167 475 N CA -0.094 53.015 53.050 0.097 0.000 0.898 475 N CB 0.379 38.904 38.487 0.063 0.000 1.176 475 N HN 0.546 nan 8.380 nan 0.000 0.507 476 Y N 0.961 121.295 120.300 0.056 0.000 2.436 476 Y HA 0.543 5.093 4.550 0.000 0.000 0.336 476 Y C 0.680 176.650 175.900 0.115 0.000 1.049 476 Y CA -0.281 57.868 58.100 0.082 0.000 1.294 476 Y CB 0.045 38.551 38.460 0.075 0.000 1.179 476 Y HN 0.108 nan 8.280 nan 0.000 0.520 477 G N 4.177 112.744 108.800 -0.388 0.000 2.911 477 G HA2 0.261 4.222 3.960 0.000 0.000 0.299 477 G HA3 0.261 4.222 3.960 0.000 0.000 0.299 477 G C -2.394 172.344 174.900 -0.270 0.000 1.283 477 G CA -0.897 44.037 45.100 -0.275 0.000 0.805 477 G HN 0.520 nan 8.290 nan 0.000 0.548 478 Y N 1.592 121.696 120.300 -0.326 0.000 2.334 478 Y HA 0.514 5.064 4.550 0.000 0.000 0.336 478 Y C -0.023 175.685 175.900 -0.320 0.000 0.960 478 Y CA -1.338 56.457 58.100 -0.508 0.000 1.164 478 Y CB 1.291 39.432 38.460 -0.531 0.000 1.155 478 Y HN 0.412 nan 8.280 nan 0.000 0.478 479 N N 4.918 123.200 118.700 -0.697 0.000 2.402 479 N HA 0.103 4.843 4.740 0.000 0.000 0.259 479 N C 0.613 175.661 175.510 -0.770 0.000 1.167 479 N CA 0.693 53.429 53.050 -0.524 0.000 0.949 479 N CB 1.360 39.626 38.487 -0.369 0.000 1.212 479 N HN 0.934 nan 8.380 nan 0.000 0.493 480 A N 3.976 126.510 122.820 -0.477 0.000 2.019 480 A HA -0.048 4.272 4.320 0.000 0.000 0.219 480 A C 2.050 179.495 177.584 -0.232 0.000 1.164 480 A CA 1.607 53.456 52.037 -0.313 0.000 0.644 480 A CB -0.412 18.564 19.000 -0.040 0.000 0.805 480 A HN 0.725 nan 8.150 nan 0.000 0.449 481 A N -0.150 122.547 122.820 -0.204 0.000 1.832 481 A HA -0.084 4.236 4.320 0.000 0.000 0.214 481 A C 2.414 179.907 177.584 -0.151 0.000 1.200 481 A CA 2.422 54.377 52.037 -0.137 0.000 0.610 481 A CB -1.342 17.594 19.000 -0.107 0.000 0.842 481 A HN 0.795 nan 8.150 nan 0.000 0.444 482 T N -2.792 111.647 114.554 -0.192 0.000 3.113 482 T HA 0.138 4.488 4.350 0.000 0.000 0.256 482 T C 0.294 174.868 174.700 -0.209 0.000 1.131 482 T CA 0.849 62.851 62.100 -0.163 0.000 1.074 482 T CB -0.477 68.308 68.868 -0.139 0.000 0.944 482 T HN 0.587 nan 8.240 nan 0.000 0.516 483 E N 1.264 121.241 120.200 -0.372 0.000 2.297 483 E HA -0.134 4.216 4.350 0.000 0.000 0.228 483 E C -0.817 175.575 176.600 -0.348 0.000 1.213 483 E CA 0.424 56.554 56.400 -0.451 0.000 0.712 483 E CB -0.901 28.742 29.700 -0.096 0.000 1.202 483 E HN 0.663 nan 8.360 nan 0.000 0.376 484 E N -0.355 119.555 120.200 -0.483 0.000 2.356 484 E HA 0.341 4.692 4.350 0.000 0.000 0.275 484 E C -0.648 175.773 176.600 -0.299 0.000 0.904 484 E CA -0.715 55.559 56.400 -0.210 0.000 0.757 484 E CB 1.024 30.674 29.700 -0.084 0.000 1.232 484 E HN 0.038 nan 8.360 nan 0.000 0.442 485 Y N 0.150 120.440 120.300 -0.017 0.000 2.334 485 Y HA 0.644 5.194 4.550 0.000 0.000 0.325 485 Y C 1.305 177.199 175.900 -0.010 0.000 1.308 485 Y CA 0.605 58.672 58.100 -0.055 0.000 1.389 485 Y CB 1.378 39.857 38.460 0.031 0.000 1.328 485 Y HN 0.713 nan 8.280 nan 0.000 0.532 486 G N 0.240 109.114 108.800 0.124 0.000 2.352 486 G HA2 -0.053 3.907 3.960 0.000 0.000 0.283 486 G HA3 -0.053 3.907 3.960 0.000 0.000 0.283 486 G C -1.825 173.160 174.900 0.142 0.000 1.308 486 G CA -1.198 44.020 45.100 0.196 0.000 0.892 486 G HN 0.572 nan 8.290 nan 0.000 0.504 487 N N 1.060 119.840 118.700 0.133 0.000 2.411 487 N HA 0.152 4.892 4.740 0.000 0.000 0.259 487 N C 1.766 177.297 175.510 0.036 0.000 1.103 487 N CA -0.509 52.602 53.050 0.103 0.000 0.954 487 N CB 0.813 39.355 38.487 0.091 0.000 1.085 487 N HN 0.395 nan 8.380 nan 0.000 0.485 488 M N 3.531 123.141 119.600 0.015 0.000 2.108 488 M HA -0.165 4.315 4.480 0.000 0.000 0.261 488 M C 1.633 177.931 176.300 -0.003 0.000 1.066 488 M CA 1.136 56.428 55.300 -0.013 0.000 1.107 488 M CB -0.570 32.021 32.600 -0.015 0.000 1.356 488 M HN 0.560 nan 8.290 nan 0.000 0.406 489 I N 0.258 120.836 120.570 0.013 0.000 2.202 489 I HA -0.247 3.924 4.170 0.000 0.000 0.242 489 I C 1.961 178.084 176.117 0.009 0.000 1.091 489 I CA 1.337 62.643 61.300 0.011 0.000 1.368 489 I CB -1.539 36.472 38.000 0.019 0.000 1.058 489 I HN 0.248 nan 8.210 nan 0.000 0.410 490 D N 0.846 121.255 120.400 0.016 0.000 2.123 490 D HA -0.173 4.467 4.640 0.000 0.000 0.196 490 D C 2.181 178.483 176.300 0.003 0.000 0.992 490 D CA 1.255 55.263 54.000 0.013 0.000 0.833 490 D CB -0.144 40.669 40.800 0.023 0.000 0.954 490 D HN 0.341 nan 8.370 nan 0.000 0.455 491 M N -0.409 119.189 119.600 -0.004 0.000 2.659 491 M HA 0.083 4.563 4.480 0.000 0.000 0.243 491 M C 0.951 177.237 176.300 -0.024 0.000 1.111 491 M CA 0.527 55.815 55.300 -0.020 0.000 1.070 491 M CB 0.222 32.799 32.600 -0.039 0.000 1.525 491 M HN 0.027 nan 8.290 nan 0.000 0.517 492 G N 2.307 111.098 108.800 -0.015 0.000 2.246 492 G HA2 -0.248 3.712 3.960 0.000 0.000 0.273 492 G HA3 -0.248 3.712 3.960 0.000 0.000 0.273 492 G C -0.103 174.785 174.900 -0.020 0.000 1.055 492 G CA -0.127 44.965 45.100 -0.014 0.000 0.851 492 G HN 0.547 nan 8.290 nan 0.000 0.500 493 I N 0.541 121.097 120.570 -0.024 0.000 2.428 493 I HA 0.521 4.691 4.170 0.000 0.000 0.279 493 I C 0.074 176.180 176.117 -0.017 0.000 1.040 493 I CA -0.898 60.385 61.300 -0.029 0.000 1.171 493 I CB 0.734 38.704 38.000 -0.050 0.000 1.312 493 I HN 0.223 nan 8.210 nan 0.000 0.470 494 L N 3.316 124.533 121.223 -0.009 0.000 2.479 494 L HA 0.779 5.119 4.340 0.000 0.000 0.255 494 L C -1.386 175.486 176.870 0.003 0.000 1.026 494 L CA -0.700 54.140 54.840 -0.001 0.000 0.842 494 L CB 1.641 43.702 42.059 0.003 0.000 1.444 494 L HN 0.054 nan 8.230 nan 0.000 0.409 495 D N -0.183 120.222 120.400 0.008 0.000 2.575 495 D HA 0.494 5.134 4.640 0.000 0.000 0.236 495 D C -2.778 173.531 176.300 0.015 0.000 1.075 495 D CA -1.311 52.696 54.000 0.011 0.000 0.860 495 D CB 2.413 43.221 40.800 0.012 0.000 1.475 495 D HN 0.374 nan 8.370 nan 0.000 0.474 496 P HA 0.059 nan 4.420 nan 0.000 0.267 496 P C 0.857 178.169 177.300 0.021 0.000 1.209 496 P CA 0.142 63.254 63.100 0.021 0.000 0.763 496 P CB 0.557 32.272 31.700 0.026 0.000 0.816 497 T N 2.671 117.237 114.554 0.019 0.000 2.721 497 T HA -0.250 4.100 4.350 0.000 0.000 0.268 497 T C 1.603 176.316 174.700 0.021 0.000 1.038 497 T CA 1.455 63.566 62.100 0.018 0.000 1.145 497 T CB -0.292 68.585 68.868 0.016 0.000 0.858 497 T HN 0.502 nan 8.240 nan 0.000 0.459 498 K N 0.465 120.879 120.400 0.024 0.000 2.097 498 K HA -0.056 4.264 4.320 0.000 0.000 0.206 498 K C 2.372 178.993 176.600 0.036 0.000 1.049 498 K CA 1.052 57.357 56.287 0.029 0.000 0.933 498 K CB -0.372 32.147 32.500 0.032 0.000 0.717 498 K HN 0.248 nan 8.250 nan 0.000 0.442 499 V N 0.711 120.646 119.914 0.033 0.000 2.358 499 V HA -0.195 3.925 4.120 0.000 0.000 0.246 499 V C 1.728 177.846 176.094 0.039 0.000 1.047 499 V CA 2.471 64.792 62.300 0.036 0.000 1.035 499 V CB -0.376 31.463 31.823 0.026 0.000 0.658 499 V HN 0.435 nan 8.190 nan 0.000 0.452 500 T N 0.269 114.841 114.554 0.029 0.000 2.746 500 T HA -0.178 4.172 4.350 0.000 0.000 0.267 500 T C 1.941 176.658 174.700 0.028 0.000 1.039 500 T CA 1.927 64.043 62.100 0.027 0.000 1.142 500 T CB -0.334 68.546 68.868 0.021 0.000 0.866 500 T HN 0.549 nan 8.240 nan 0.000 0.444 501 R N 0.866 121.380 120.500 0.023 0.000 2.073 501 R HA -0.084 4.256 4.340 0.000 0.000 0.234 501 R C 2.552 178.859 176.300 0.011 0.000 1.134 501 R CA 1.784 57.890 56.100 0.010 0.000 0.952 501 R CB -0.350 29.952 30.300 0.004 0.000 0.850 501 R HN 0.217 nan 8.270 nan 0.000 0.433 502 S N 0.371 116.100 115.700 0.048 0.000 2.383 502 S HA -0.093 4.377 4.470 0.000 0.000 0.227 502 S C 1.955 176.671 174.600 0.193 0.000 1.026 502 S CA 1.027 59.295 58.200 0.115 0.000 0.981 502 S CB -0.166 63.158 63.200 0.206 0.000 0.818 502 S HN 0.572 nan 8.310 nan 0.000 0.472 503 A N 1.471 124.368 122.820 0.130 0.000 1.883 503 A HA -0.083 4.237 4.320 0.000 0.000 0.217 503 A C 2.130 179.770 177.584 0.093 0.000 1.186 503 A CA 1.503 53.609 52.037 0.115 0.000 0.624 503 A CB -0.768 18.270 19.000 0.063 0.000 0.822 503 A HN 0.420 nan 8.150 nan 0.000 0.444 504 L N -0.181 121.072 121.223 0.050 0.000 2.005 504 L HA -0.181 4.159 4.340 0.000 0.000 0.207 504 L C 2.512 179.384 176.870 0.004 0.000 1.072 504 L CA 2.411 57.266 54.840 0.025 0.000 0.744 504 L CB -0.903 41.161 42.059 0.009 0.000 0.895 504 L HN 0.518 nan 8.230 nan 0.000 0.433 505 Q N -1.805 117.968 119.800 -0.044 0.000 2.124 505 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 505 Q C 2.144 178.054 176.000 -0.151 0.000 0.977 505 Q CA 2.006 57.730 55.803 -0.131 0.000 0.850 505 Q CB -0.317 28.281 28.738 -0.233 0.000 0.901 505 Q HN 0.521 nan 8.270 nan 0.000 0.429 506 Y N 0.066 120.365 120.300 -0.001 0.000 2.314 506 Y HA -0.136 4.414 4.550 0.000 0.000 0.293 506 Y C 2.301 178.199 175.900 -0.002 0.000 1.129 506 Y CA 0.893 58.992 58.100 -0.003 0.000 1.201 506 Y CB -0.475 37.982 38.460 -0.005 0.000 0.999 506 Y HN 0.131 nan 8.280 nan 0.000 0.541 507 A N -0.040 122.864 122.820 0.141 0.000 1.855 507 A HA -0.088 4.232 4.320 0.000 0.000 0.215 507 A C 2.466 180.082 177.584 0.053 0.000 1.191 507 A CA 1.744 53.831 52.037 0.083 0.000 0.613 507 A CB -1.307 17.728 19.000 0.058 0.000 0.829 507 A HN 0.357 nan 8.150 nan 0.000 0.442 508 A N -0.682 122.157 122.820 0.030 0.000 1.986 508 A HA -0.145 4.175 4.320 0.000 0.000 0.220 508 A C 2.448 180.039 177.584 0.013 0.000 1.171 508 A CA 2.333 54.377 52.037 0.012 0.000 0.640 508 A CB -0.909 18.087 19.000 -0.006 0.000 0.811 508 A HN 0.583 nan 8.150 nan 0.000 0.451 509 S N -0.993 114.718 115.700 0.018 0.000 2.335 509 S HA -0.135 4.335 4.470 0.000 0.000 0.216 509 S C 1.975 176.600 174.600 0.041 0.000 1.032 509 S CA 1.660 59.875 58.200 0.024 0.000 1.000 509 S CB -0.644 62.578 63.200 0.036 0.000 0.928 509 S HN 0.585 nan 8.310 nan 0.000 0.434 510 V N 1.892 121.843 119.914 0.062 0.000 2.490 510 V HA -0.031 4.089 4.120 0.000 0.000 0.250 510 V C 2.560 178.674 176.094 0.034 0.000 1.061 510 V CA 2.064 64.393 62.300 0.049 0.000 1.064 510 V CB -1.086 30.768 31.823 0.052 0.000 0.670 510 V HN 0.597 nan 8.190 nan 0.000 0.461 511 A N 0.054 122.893 122.820 0.031 0.000 1.877 511 A HA -0.029 4.291 4.320 0.000 0.000 0.216 511 A C 2.389 179.984 177.584 0.019 0.000 1.186 511 A CA 1.853 53.904 52.037 0.023 0.000 0.620 511 A CB -1.443 17.569 19.000 0.021 0.000 0.822 511 A HN 0.645 nan 8.150 nan 0.000 0.443 512 G N -0.182 108.628 108.800 0.017 0.000 2.440 512 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 512 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 512 G C 1.560 176.470 174.900 0.016 0.000 1.154 512 G CA 1.058 46.166 45.100 0.013 0.000 0.767 512 G HN 0.429 nan 8.290 nan 0.000 0.552 513 L N -0.338 120.896 121.223 0.019 0.000 2.017 513 L HA -0.046 4.294 4.340 0.000 0.000 0.208 513 L C 3.125 180.007 176.870 0.020 0.000 1.073 513 L CA 1.073 55.925 54.840 0.020 0.000 0.745 513 L CB -0.347 41.726 42.059 0.023 0.000 0.894 513 L HN 0.239 nan 8.230 nan 0.000 0.432 514 M N -0.521 119.091 119.600 0.021 0.000 2.117 514 M HA -0.211 4.269 4.480 0.000 0.000 0.262 514 M C 2.285 178.597 176.300 0.019 0.000 1.065 514 M CA 1.793 57.106 55.300 0.021 0.000 1.114 514 M CB -0.330 32.283 32.600 0.021 0.000 1.361 514 M HN 0.196 nan 8.290 nan 0.000 0.408 515 I N 0.007 120.587 120.570 0.017 0.000 2.454 515 I HA -0.210 3.960 4.170 0.000 0.000 0.254 515 I C 1.590 177.717 176.117 0.017 0.000 1.156 515 I CA 1.366 62.675 61.300 0.015 0.000 1.433 515 I CB -0.584 37.424 38.000 0.013 0.000 1.082 515 I HN 0.397 nan 8.210 nan 0.000 0.432 516 T N -3.100 111.465 114.554 0.018 0.000 3.258 516 T HA 0.194 4.544 4.350 0.000 0.000 0.263 516 T C 0.371 175.086 174.700 0.024 0.000 0.983 516 T CA -0.361 61.751 62.100 0.020 0.000 0.907 516 T CB -0.299 68.579 68.868 0.017 0.000 1.096 516 T HN -0.085 nan 8.240 nan 0.000 0.556 517 T N 1.897 116.466 114.554 0.025 0.000 2.795 517 T HA 0.397 4.747 4.350 0.000 0.000 0.282 517 T C 0.449 175.169 174.700 0.035 0.000 0.980 517 T CA -0.599 61.517 62.100 0.027 0.000 1.012 517 T CB 1.821 70.702 68.868 0.023 0.000 0.936 517 T HN 0.089 nan 8.240 nan 0.000 0.457 518 E N 0.450 120.680 120.200 0.049 0.000 2.514 518 E HA 0.187 4.537 4.350 0.000 0.000 0.215 518 E C -0.066 176.595 176.600 0.103 0.000 0.946 518 E CA 0.098 56.551 56.400 0.087 0.000 1.038 518 E CB 0.843 30.610 29.700 0.112 0.000 1.069 518 E HN 0.564 nan 8.360 nan 0.000 0.503 519 C N 0.756 120.062 119.300 0.010 0.000 2.782 519 C HA 0.673 5.133 4.460 0.000 0.000 0.328 519 C C -1.330 173.581 174.990 -0.131 0.000 1.145 519 C CA -0.576 58.342 59.018 -0.167 0.000 1.358 519 C CB 0.398 28.040 27.740 -0.163 0.000 1.841 519 C HN 0.117 nan 8.230 nan 0.000 0.477 520 M N 5.185 124.688 119.600 -0.162 0.000 2.395 520 M HA 0.615 5.095 4.480 0.000 0.000 0.307 520 M C -1.113 175.241 176.300 0.091 0.000 1.091 520 M CA -0.587 54.734 55.300 0.035 0.000 0.919 520 M CB 2.134 34.868 32.600 0.222 0.000 1.662 520 M HN 0.378 nan 8.290 nan 0.000 0.440 521 V N 1.322 121.262 119.914 0.044 0.000 2.531 521 V HA 0.764 4.884 4.120 0.000 0.000 0.301 521 V C -0.368 175.682 176.094 -0.073 0.000 1.034 521 V CA -0.412 61.892 62.300 0.008 0.000 0.865 521 V CB 2.010 33.818 31.823 -0.026 0.000 0.995 521 V HN 0.950 nan 8.190 nan 0.000 0.424 522 T N 2.225 116.693 114.554 -0.143 0.000 2.843 522 T HA 0.429 4.779 4.350 0.000 0.000 0.302 522 T C -1.168 173.430 174.700 -0.170 0.000 1.232 522 T CA -0.551 61.404 62.100 -0.243 0.000 1.009 522 T CB 1.814 70.366 68.868 -0.527 0.000 1.254 522 T HN 0.698 nan 8.240 nan 0.000 0.504 523 D N 1.503 121.816 120.400 -0.145 0.000 2.382 523 D HA 0.346 4.986 4.640 0.000 0.000 0.240 523 D C -0.135 176.111 176.300 -0.089 0.000 1.146 523 D CA -0.194 53.751 54.000 -0.091 0.000 0.897 523 D CB 0.375 41.130 40.800 -0.073 0.000 1.197 523 D HN 0.188 nan 8.370 nan 0.000 0.432 524 L N 3.828 125.025 121.223 -0.044 0.000 2.416 524 L HA 0.154 4.494 4.340 0.000 0.000 0.272 524 L C -1.165 175.687 176.870 -0.029 0.000 1.161 524 L CA -1.319 53.509 54.840 -0.021 0.000 0.845 524 L CB 0.459 42.518 42.059 0.000 0.000 1.119 524 L HN 0.422 nan 8.230 nan 0.000 0.464 525 P HA -0.141 nan 4.420 nan 0.000 0.229 525 P C -0.042 177.249 177.300 -0.014 0.000 1.150 525 P CA 1.066 64.152 63.100 -0.023 0.000 0.765 525 P CB 0.144 31.839 31.700 -0.008 0.000 0.783 526 K N 0.000 120.395 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543