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 2c7c_1_E 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 3 A N 1.827 124.649 122.820 0.003 0.000 2.483 3 A HA 0.580 4.902 4.320 0.002 0.000 0.238 3 A C 0.141 177.732 177.584 0.013 0.000 1.070 3 A CA 0.224 52.267 52.037 0.010 0.000 0.770 3 A CB 0.066 19.075 19.000 0.015 0.000 1.008 3 A HN 0.617 nan 8.150 nan 0.000 0.497 4 K N 1.293 121.705 120.400 0.021 0.000 2.208 4 K HA 0.399 4.720 4.320 0.002 0.000 0.247 4 K C -0.794 175.846 176.600 0.067 0.000 0.953 4 K CA -0.724 55.579 56.287 0.027 0.000 0.837 4 K CB 1.512 34.021 32.500 0.015 0.000 1.131 4 K HN 0.781 nan 8.250 nan 0.000 0.431 5 D N 0.888 121.353 120.400 0.109 0.000 2.253 5 D HA 0.431 5.073 4.640 0.002 0.000 0.249 5 D C -1.042 175.427 176.300 0.283 0.000 1.049 5 D CA -0.487 53.643 54.000 0.217 0.000 0.929 5 D CB 1.203 42.217 40.800 0.356 0.000 1.176 5 D HN 0.238 nan 8.370 nan 0.000 0.437 6 V N -0.900 119.183 119.914 0.283 0.000 2.777 6 V HA 0.685 4.806 4.120 0.002 0.000 0.306 6 V C -1.131 175.057 176.094 0.157 0.000 1.112 6 V CA -0.859 61.571 62.300 0.217 0.000 0.917 6 V CB 1.775 33.660 31.823 0.103 0.000 1.018 6 V HN 0.497 nan 8.190 nan 0.000 0.426 7 K N 3.885 124.356 120.400 0.120 0.000 2.501 7 K HA 0.702 5.024 4.320 0.002 0.000 0.252 7 K C -1.807 174.805 176.600 0.021 0.000 0.934 7 K CA -0.387 55.921 56.287 0.035 0.000 0.797 7 K CB 2.730 35.065 32.500 -0.276 0.000 1.270 7 K HN 0.603 nan 8.250 nan 0.000 0.431 8 F N 0.479 120.431 119.950 0.004 0.000 2.440 8 F HA 0.490 5.018 4.527 0.002 0.000 0.328 8 F C 1.502 177.304 175.800 0.002 0.000 1.070 8 F CA 0.696 58.705 58.000 0.015 0.000 1.011 8 F CB 1.477 40.482 39.000 0.008 0.000 1.226 8 F HN 0.852 nan 8.300 nan 0.000 0.491 9 G N 1.908 110.834 108.800 0.210 0.000 2.602 9 G HA2 -0.510 3.452 3.960 0.002 0.000 0.310 9 G HA3 -0.510 3.452 3.960 0.002 0.000 0.310 9 G C 1.088 176.034 174.900 0.077 0.000 1.183 9 G CA 1.041 46.221 45.100 0.132 0.000 0.979 9 G HN 0.841 nan 8.290 nan 0.000 0.545 10 N N 0.991 119.724 118.700 0.055 0.000 2.013 10 N HA -0.071 4.670 4.740 0.002 0.000 0.195 10 N C 1.816 177.337 175.510 0.019 0.000 1.051 10 N CA 2.718 55.786 53.050 0.029 0.000 0.851 10 N CB -0.435 38.062 38.487 0.016 0.000 1.044 10 N HN 0.573 nan 8.380 nan 0.000 0.422 11 D N -0.192 120.211 120.400 0.005 0.000 2.144 11 D HA -0.069 4.572 4.640 0.002 0.000 0.199 11 D C 1.862 178.132 176.300 -0.050 0.000 0.984 11 D CA 1.323 55.300 54.000 -0.039 0.000 0.834 11 D CB -0.514 40.243 40.800 -0.071 0.000 0.955 11 D HN 0.492 nan 8.370 nan 0.000 0.465 12 A N 0.992 123.811 122.820 -0.002 0.000 1.841 12 A HA -0.216 4.105 4.320 0.002 0.000 0.216 12 A C 2.149 179.774 177.584 0.068 0.000 1.199 12 A CA 1.590 53.661 52.037 0.058 0.000 0.621 12 A CB -0.574 18.472 19.000 0.076 0.000 0.835 12 A HN 0.090 nan 8.150 nan 0.000 0.445 13 R N -0.844 119.687 120.500 0.052 0.000 2.096 13 R HA -0.071 4.270 4.340 0.002 0.000 0.235 13 R C 2.051 178.374 176.300 0.038 0.000 1.127 13 R CA 1.337 57.464 56.100 0.045 0.000 0.968 13 R CB -0.550 29.773 30.300 0.038 0.000 0.861 13 R HN 0.405 nan 8.270 nan 0.000 0.440 14 V N 1.439 121.369 119.914 0.027 0.000 2.295 14 V HA -0.250 3.872 4.120 0.002 0.000 0.246 14 V C 2.304 178.414 176.094 0.027 0.000 1.049 14 V CA 1.633 63.945 62.300 0.019 0.000 1.024 14 V CB -0.339 31.487 31.823 0.006 0.000 0.648 14 V HN 0.227 nan 8.190 nan 0.000 0.447 15 K N -0.562 119.858 120.400 0.033 0.000 2.026 15 K HA -0.140 4.182 4.320 0.002 0.000 0.208 15 K C 2.143 178.796 176.600 0.088 0.000 1.048 15 K CA 1.757 58.083 56.287 0.065 0.000 0.929 15 K CB -0.518 32.035 32.500 0.088 0.000 0.713 15 K HN 0.430 nan 8.250 nan 0.000 0.439 16 M N 0.659 120.315 119.600 0.094 0.000 2.080 16 M HA -0.216 4.265 4.480 0.002 0.000 0.260 16 M C 2.129 178.458 176.300 0.048 0.000 1.068 16 M CA 1.387 56.731 55.300 0.074 0.000 1.109 16 M CB -0.118 32.523 32.600 0.068 0.000 1.342 16 M HN 0.063 nan 8.290 nan 0.000 0.405 17 L N 0.461 121.709 121.223 0.041 0.000 2.017 17 L HA -0.179 4.162 4.340 0.002 0.000 0.208 17 L C 2.347 179.235 176.870 0.029 0.000 1.073 17 L CA 1.857 56.716 54.840 0.031 0.000 0.745 17 L CB -0.695 41.380 42.059 0.026 0.000 0.894 17 L HN 0.249 nan 8.230 nan 0.000 0.432 18 R N -0.605 119.914 120.500 0.031 0.000 2.103 18 R HA -0.165 4.176 4.340 0.002 0.000 0.242 18 R C 2.170 178.489 176.300 0.031 0.000 1.142 18 R CA 1.345 57.463 56.100 0.029 0.000 0.960 18 R CB -1.082 29.237 30.300 0.031 0.000 0.858 18 R HN 0.606 nan 8.270 nan 0.000 0.439 19 G N 0.469 109.292 108.800 0.039 0.000 2.446 19 G HA2 -0.241 3.721 3.960 0.002 0.000 0.217 19 G HA3 -0.241 3.721 3.960 0.002 0.000 0.217 19 G C 1.491 176.406 174.900 0.025 0.000 1.168 19 G CA 0.889 46.009 45.100 0.034 0.000 0.771 19 G HN 0.149 nan 8.290 nan 0.000 0.551 20 V N 1.384 121.313 119.914 0.025 0.000 2.287 20 V HA -0.260 3.861 4.120 0.002 0.000 0.248 20 V C 2.606 178.711 176.094 0.020 0.000 1.053 20 V CA 2.392 64.705 62.300 0.021 0.000 1.027 20 V CB -0.742 31.094 31.823 0.022 0.000 0.646 20 V HN 0.403 nan 8.190 nan 0.000 0.447 21 N N -0.462 118.250 118.700 0.020 0.000 2.188 21 N HA -0.120 4.622 4.740 0.002 0.000 0.184 21 N C 1.664 177.185 175.510 0.017 0.000 1.018 21 N CA 1.135 54.196 53.050 0.018 0.000 0.858 21 N CB -0.251 38.247 38.487 0.017 0.000 0.989 21 N HN 0.264 nan 8.380 nan 0.000 0.426 22 V N 1.322 121.247 119.914 0.019 0.000 2.392 22 V HA -0.191 3.930 4.120 0.002 0.000 0.249 22 V C 2.137 178.241 176.094 0.016 0.000 1.059 22 V CA 1.229 63.540 62.300 0.018 0.000 1.051 22 V CB -0.469 31.366 31.823 0.020 0.000 0.658 22 V HN 0.408 nan 8.190 nan 0.000 0.455 23 L N 0.296 121.529 121.223 0.016 0.000 2.007 23 L HA -0.050 4.292 4.340 0.002 0.000 0.205 23 L C 2.489 179.368 176.870 0.015 0.000 1.073 23 L CA 2.728 57.577 54.840 0.015 0.000 0.744 23 L CB -1.270 40.797 42.059 0.014 0.000 0.898 23 L HN 0.320 nan 8.230 nan 0.000 0.435 24 A N -0.555 122.275 122.820 0.016 0.000 1.929 24 A HA -0.192 4.130 4.320 0.002 0.000 0.216 24 A C 1.807 179.401 177.584 0.016 0.000 1.176 24 A CA 1.583 53.630 52.037 0.017 0.000 0.628 24 A CB -0.599 18.412 19.000 0.018 0.000 0.816 24 A HN 0.512 nan 8.150 nan 0.000 0.444 25 D N -0.061 120.348 120.400 0.015 0.000 2.219 25 D HA 0.081 4.723 4.640 0.002 0.000 0.205 25 D C 2.111 178.419 176.300 0.012 0.000 0.970 25 D CA 1.164 55.172 54.000 0.013 0.000 0.851 25 D CB -0.145 40.663 40.800 0.012 0.000 0.943 25 D HN 0.424 nan 8.370 nan 0.000 0.488 26 A N 0.203 123.031 122.820 0.013 0.000 1.841 26 A HA -0.116 4.206 4.320 0.002 0.000 0.214 26 A C 2.384 179.975 177.584 0.013 0.000 1.195 26 A CA 1.020 53.065 52.037 0.012 0.000 0.611 26 A CB -0.891 18.116 19.000 0.012 0.000 0.835 26 A HN 0.114 nan 8.150 nan 0.000 0.443 27 V N 0.372 120.295 119.914 0.014 0.000 2.453 27 V HA -0.310 3.812 4.120 0.002 0.000 0.252 27 V C 2.408 178.511 176.094 0.016 0.000 1.068 27 V CA 2.437 64.746 62.300 0.016 0.000 1.070 27 V CB -0.739 31.094 31.823 0.017 0.000 0.664 27 V HN 0.549 nan 8.190 nan 0.000 0.461 28 K N 0.042 120.451 120.400 0.015 0.000 2.280 28 K HA -0.103 4.218 4.320 0.002 0.000 0.202 28 K C 1.815 178.422 176.600 0.013 0.000 1.047 28 K CA 1.390 57.686 56.287 0.015 0.000 0.942 28 K CB -0.235 32.273 32.500 0.014 0.000 0.739 28 K HN 0.610 nan 8.250 nan 0.000 0.457 29 V N -0.970 118.951 119.914 0.012 0.000 3.444 29 V HA -0.069 4.052 4.120 0.002 0.000 0.271 29 V C 1.453 177.553 176.094 0.010 0.000 1.188 29 V CA 1.717 64.023 62.300 0.010 0.000 1.168 29 V CB -0.816 31.012 31.823 0.008 0.000 0.810 29 V HN 0.310 nan 8.190 nan 0.000 0.500 30 T N -2.824 111.737 114.554 0.012 0.000 3.044 30 T HA 0.352 4.703 4.350 0.002 0.000 0.260 30 T C 0.349 175.056 174.700 0.013 0.000 1.019 30 T CA -0.175 61.932 62.100 0.011 0.000 0.921 30 T CB 0.158 69.033 68.868 0.012 0.000 1.053 30 T HN 0.326 nan 8.240 nan 0.000 0.533 31 L N 3.040 124.272 121.223 0.014 0.000 2.325 31 L HA 0.615 4.957 4.340 0.002 0.000 0.284 31 L C 0.730 177.610 176.870 0.016 0.000 1.089 31 L CA 1.240 56.090 54.840 0.016 0.000 0.836 31 L CB -0.600 41.470 42.059 0.018 0.000 1.184 31 L HN 0.667 nan 8.230 nan 0.000 0.444 32 G N 5.167 113.975 108.800 0.014 0.000 2.757 32 G HA2 -0.162 3.800 3.960 0.002 0.000 0.638 32 G HA3 -0.162 3.800 3.960 0.002 0.000 0.638 32 G C -2.251 172.653 174.900 0.007 0.000 1.344 32 G CA -0.275 44.832 45.100 0.012 0.000 0.855 32 G HN 0.505 nan 8.290 nan 0.000 0.537 33 P HA 0.051 nan 4.420 nan 0.000 0.231 33 P C 1.175 178.474 177.300 -0.002 0.000 1.168 33 P CA 1.140 64.238 63.100 -0.004 0.000 0.779 33 P CB 0.117 31.809 31.700 -0.012 0.000 0.844 34 K N -0.280 120.122 120.400 0.004 0.000 2.361 34 K HA 0.151 4.473 4.320 0.002 0.000 0.196 34 K C 1.446 178.051 176.600 0.008 0.000 1.039 34 K CA 0.055 56.346 56.287 0.007 0.000 1.001 34 K CB -0.061 32.447 32.500 0.014 0.000 0.795 34 K HN 0.100 nan 8.250 nan 0.000 0.495 35 G N 1.348 110.154 108.800 0.010 0.000 2.569 35 G HA2 0.160 4.122 3.960 0.002 0.000 0.249 35 G HA3 0.160 4.122 3.960 0.002 0.000 0.249 35 G C -0.127 174.777 174.900 0.007 0.000 1.216 35 G CA -0.368 44.737 45.100 0.009 0.000 0.845 35 G HN 0.127 nan 8.290 nan 0.000 0.568 36 R N 0.077 120.581 120.500 0.007 0.000 3.139 36 R HA 0.450 4.792 4.340 0.002 0.000 0.218 36 R C -0.632 175.671 176.300 0.005 0.000 1.637 36 R CA -0.928 55.175 56.100 0.005 0.000 0.971 36 R CB 0.641 30.943 30.300 0.004 0.000 2.211 36 R HN 0.484 nan 8.270 nan 0.000 0.535 37 N N -0.800 117.902 118.700 0.004 0.000 2.509 37 N HA 0.474 5.216 4.740 0.002 0.000 0.280 37 N C -1.440 174.072 175.510 0.003 0.000 1.306 37 N CA -0.639 52.413 53.050 0.004 0.000 0.782 37 N CB 2.064 40.552 38.487 0.002 0.000 1.493 37 N HN 0.113 nan 8.380 nan 0.000 0.498 38 V N 0.469 120.385 119.914 0.003 0.000 2.715 38 V HA 0.557 4.679 4.120 0.002 0.000 0.310 38 V C -0.370 175.723 176.094 -0.001 0.000 1.054 38 V CA -0.795 61.507 62.300 0.002 0.000 0.928 38 V CB 2.107 33.934 31.823 0.006 0.000 1.007 38 V HN 0.330 nan 8.190 nan 0.000 0.437 39 V N 5.096 125.008 119.914 -0.004 0.000 2.417 39 V HA 0.500 4.621 4.120 0.002 0.000 0.291 39 V C -0.405 175.682 176.094 -0.012 0.000 1.024 39 V CA -0.486 61.808 62.300 -0.011 0.000 0.861 39 V CB 1.577 33.392 31.823 -0.014 0.000 0.985 39 V HN 0.625 nan 8.190 nan 0.000 0.436 40 L N 3.736 124.948 121.223 -0.018 0.000 2.318 40 L HA 0.504 4.846 4.340 0.002 0.000 0.277 40 L C -0.256 176.585 176.870 -0.049 0.000 1.008 40 L CA -0.510 54.319 54.840 -0.018 0.000 0.846 40 L CB 1.424 43.481 42.059 -0.003 0.000 1.220 40 L HN 0.536 nan 8.230 nan 0.000 0.423 41 D N 3.733 124.102 120.400 -0.051 0.000 2.372 41 D HA 0.247 4.888 4.640 0.002 0.000 0.243 41 D C -0.573 175.630 176.300 -0.161 0.000 1.121 41 D CA 0.266 54.213 54.000 -0.089 0.000 0.898 41 D CB 0.889 41.657 40.800 -0.054 0.000 1.202 41 D HN 0.371 nan 8.370 nan 0.000 0.428 42 K N 1.190 121.419 120.400 -0.286 0.000 2.695 42 K HA 0.146 4.468 4.320 0.002 0.000 0.255 42 K C 0.529 176.842 176.600 -0.478 0.000 1.016 42 K CA -0.397 55.501 56.287 -0.649 0.000 0.928 42 K CB 1.483 33.331 32.500 -1.087 0.000 1.235 42 K HN 0.339 nan 8.250 nan 0.000 0.467 43 S N 1.629 117.185 115.700 -0.241 0.000 2.423 43 S HA -0.138 4.334 4.470 0.002 0.000 0.231 43 S C 1.458 176.051 174.600 -0.013 0.000 1.014 43 S CA 0.561 58.723 58.200 -0.064 0.000 0.965 43 S CB -0.621 62.613 63.200 0.056 0.000 0.785 43 S HN 0.637 nan 8.310 nan 0.000 0.495 44 F N 1.098 121.046 119.950 -0.004 0.000 2.754 44 F HA 0.677 5.205 4.527 0.002 0.000 0.303 44 F C 1.018 176.816 175.800 -0.004 0.000 1.196 44 F CA -0.514 57.484 58.000 -0.004 0.000 1.416 44 F CB -0.673 38.324 39.000 -0.005 0.000 1.092 44 F HN 0.366 nan 8.300 nan 0.000 0.541 45 G N -0.143 108.518 108.800 -0.231 0.000 2.927 45 G HA2 0.572 4.533 3.960 0.002 0.000 0.111 45 G HA3 0.572 4.533 3.960 0.002 0.000 0.111 45 G C -1.449 173.343 174.900 -0.179 0.000 1.198 45 G CA -0.028 44.963 45.100 -0.181 0.000 1.382 45 G HN 0.649 nan 8.290 nan 0.000 0.663 46 A N -0.447 122.253 122.820 -0.199 0.000 2.609 46 A HA 0.870 5.191 4.320 0.002 0.000 0.291 46 A C -3.196 174.294 177.584 -0.157 0.000 1.096 46 A CA -1.030 50.918 52.037 -0.148 0.000 0.684 46 A CB 1.054 20.002 19.000 -0.088 0.000 1.282 46 A HN 0.377 nan 8.150 nan 0.000 0.412 47 P HA 0.251 nan 4.420 nan 0.000 0.264 47 P C -0.467 176.790 177.300 -0.072 0.000 1.193 47 P CA 0.593 63.636 63.100 -0.095 0.000 0.763 47 P CB 0.428 32.089 31.700 -0.065 0.000 0.810 48 T N 4.695 119.210 114.554 -0.064 0.000 2.743 48 T HA 0.408 4.759 4.350 0.002 0.000 0.292 48 T C 0.477 175.163 174.700 -0.023 0.000 0.972 48 T CA -0.295 61.782 62.100 -0.039 0.000 0.967 48 T CB -0.089 68.760 68.868 -0.032 0.000 0.926 48 T HN 0.107 nan 8.240 nan 0.000 0.459 49 I N 3.079 123.638 120.570 -0.018 0.000 2.474 49 I HA 0.476 4.647 4.170 0.002 0.000 0.287 49 I C 0.859 176.974 176.117 -0.003 0.000 1.048 49 I CA 0.167 61.461 61.300 -0.010 0.000 1.383 49 I CB 1.115 39.109 38.000 -0.010 0.000 1.412 49 I HN 0.502 nan 8.210 nan 0.000 0.531 50 T N 4.075 118.629 114.554 0.001 0.000 2.889 50 T HA 0.345 4.696 4.350 0.002 0.000 0.315 50 T C 0.122 174.827 174.700 0.007 0.000 1.291 50 T CA -0.675 61.429 62.100 0.006 0.000 1.028 50 T CB 1.376 70.250 68.868 0.010 0.000 1.235 50 T HN 0.735 nan 8.240 nan 0.000 0.491 51 K N 1.034 121.440 120.400 0.010 0.000 2.360 51 K HA 0.216 4.537 4.320 0.002 0.000 0.196 51 K C -0.118 176.491 176.600 0.015 0.000 1.049 51 K CA -0.068 56.226 56.287 0.011 0.000 1.049 51 K CB 0.333 32.839 32.500 0.010 0.000 0.881 51 K HN 0.606 nan 8.250 nan 0.000 0.542 52 D N -1.057 119.353 120.400 0.018 0.000 2.225 52 D HA 0.131 4.772 4.640 0.002 0.000 0.248 52 D C 1.073 177.385 176.300 0.020 0.000 1.096 52 D CA -0.230 53.783 54.000 0.021 0.000 0.863 52 D CB 1.622 42.437 40.800 0.025 0.000 1.156 52 D HN 0.109 nan 8.370 nan 0.000 0.450 53 G N 2.340 111.153 108.800 0.022 0.000 2.432 53 G HA2 -0.208 3.753 3.960 0.002 0.000 0.219 53 G HA3 -0.208 3.753 3.960 0.002 0.000 0.219 53 G C 1.348 176.260 174.900 0.020 0.000 1.135 53 G CA 0.670 45.782 45.100 0.021 0.000 0.767 53 G HN 0.460 nan 8.290 nan 0.000 0.550 54 V N 0.367 120.293 119.914 0.020 0.000 2.488 54 V HA -0.067 4.054 4.120 0.002 0.000 0.246 54 V C 2.954 179.057 176.094 0.015 0.000 1.046 54 V CA 2.291 64.600 62.300 0.015 0.000 1.053 54 V CB -0.098 31.732 31.823 0.012 0.000 0.679 54 V HN 0.353 nan 8.190 nan 0.000 0.458 55 S N -0.172 115.539 115.700 0.018 0.000 2.356 55 S HA -0.181 4.290 4.470 0.002 0.000 0.223 55 S C 1.897 176.509 174.600 0.020 0.000 1.032 55 S CA 1.682 59.895 58.200 0.020 0.000 1.005 55 S CB -0.246 62.967 63.200 0.021 0.000 0.867 55 S HN 0.458 nan 8.310 nan 0.000 0.449 56 V N 2.117 122.042 119.914 0.018 0.000 2.233 56 V HA -0.241 3.881 4.120 0.002 0.000 0.247 56 V C 2.700 178.804 176.094 0.017 0.000 1.050 56 V CA 1.867 64.177 62.300 0.017 0.000 1.010 56 V CB -1.295 30.537 31.823 0.015 0.000 0.637 56 V HN 0.553 nan 8.190 nan 0.000 0.444 57 A N -0.285 122.544 122.820 0.015 0.000 1.908 57 A HA -0.264 4.058 4.320 0.002 0.000 0.218 57 A C 2.346 179.936 177.584 0.011 0.000 1.181 57 A CA 2.068 54.112 52.037 0.012 0.000 0.627 57 A CB -0.589 18.417 19.000 0.010 0.000 0.818 57 A HN 0.509 nan 8.150 nan 0.000 0.445 58 R N -0.549 119.958 120.500 0.011 0.000 2.117 58 R HA -0.118 4.223 4.340 0.002 0.000 0.243 58 R C 1.717 178.028 176.300 0.017 0.000 1.143 58 R CA 1.418 57.524 56.100 0.010 0.000 0.968 58 R CB -0.168 30.138 30.300 0.010 0.000 0.863 58 R HN 0.503 nan 8.270 nan 0.000 0.444 59 E N 0.182 120.399 120.200 0.028 0.000 2.481 59 E HA -0.014 4.337 4.350 0.002 0.000 0.195 59 E C 0.191 176.809 176.600 0.030 0.000 1.047 59 E CA 0.221 56.645 56.400 0.040 0.000 0.867 59 E CB 0.252 29.984 29.700 0.054 0.000 0.858 59 E HN 0.171 nan 8.360 nan 0.000 0.513 60 I N 1.851 122.433 120.570 0.020 0.000 2.556 60 I HA 0.099 4.271 4.170 0.002 0.000 0.284 60 I C 0.411 176.534 176.117 0.011 0.000 1.114 60 I CA 0.404 61.713 61.300 0.016 0.000 1.418 60 I CB 0.319 38.327 38.000 0.013 0.000 1.394 60 I HN -0.029 nan 8.210 nan 0.000 0.552 61 E N 6.351 126.558 120.200 0.011 0.000 2.388 61 E HA 0.436 4.788 4.350 0.002 0.000 0.289 61 E C -2.094 174.511 176.600 0.009 0.000 0.944 61 E CA -0.611 55.792 56.400 0.006 0.000 0.792 61 E CB 1.786 31.489 29.700 0.005 0.000 1.239 61 E HN 0.268 nan 8.360 nan 0.000 0.412 62 L N 3.276 124.504 121.223 0.007 0.000 2.341 62 L HA 0.361 4.702 4.340 0.002 0.000 0.267 62 L C 1.240 178.118 176.870 0.014 0.000 1.009 62 L CA -0.249 54.599 54.840 0.014 0.000 0.819 62 L CB 1.446 43.518 42.059 0.021 0.000 1.323 62 L HN 0.850 nan 8.230 nan 0.000 0.425 63 E N 0.337 120.549 120.200 0.021 0.000 2.112 63 E HA -0.122 4.229 4.350 0.002 0.000 0.190 63 E C 0.137 176.762 176.600 0.040 0.000 0.979 63 E CA 0.319 56.733 56.400 0.024 0.000 0.814 63 E CB 0.422 30.137 29.700 0.025 0.000 0.762 63 E HN 0.628 nan 8.360 nan 0.000 0.460 64 D N 1.166 121.600 120.400 0.057 0.000 2.349 64 D HA -0.057 4.584 4.640 0.002 0.000 0.266 64 D C 0.646 177.005 176.300 0.099 0.000 1.293 64 D CA 0.008 54.069 54.000 0.102 0.000 0.926 64 D CB 0.774 41.636 40.800 0.105 0.000 1.090 64 D HN -0.039 nan 8.370 nan 0.000 0.502 65 K N 3.461 123.916 120.400 0.092 0.000 2.211 65 K HA -0.107 4.215 4.320 0.002 0.000 0.203 65 K C 1.656 178.156 176.600 -0.167 0.000 1.050 65 K CA 0.784 57.025 56.287 -0.077 0.000 0.945 65 K CB -0.178 32.209 32.500 -0.189 0.000 0.732 65 K HN 0.509 nan 8.250 nan 0.000 0.451 66 F N 1.429 121.375 119.950 -0.006 0.000 2.335 66 F HA 0.006 4.534 4.527 0.001 0.000 0.296 66 F C 2.218 178.015 175.800 -0.005 0.000 1.091 66 F CA 0.677 58.673 58.000 -0.008 0.000 1.399 66 F CB -0.100 38.897 39.000 -0.005 0.000 1.067 66 F HN 0.060 nan 8.300 nan 0.000 0.520 67 E N 0.120 120.423 120.200 0.172 0.000 2.106 67 E HA -0.203 4.148 4.350 0.002 0.000 0.192 67 E C 1.739 178.365 176.600 0.043 0.000 0.984 67 E CA 1.012 57.466 56.400 0.089 0.000 0.806 67 E CB -0.243 29.503 29.700 0.077 0.000 0.750 67 E HN 0.224 nan 8.360 nan 0.000 0.458 68 N N 0.766 119.479 118.700 0.022 0.000 2.120 68 N HA -0.145 4.596 4.740 0.002 0.000 0.188 68 N C 1.693 177.185 175.510 -0.030 0.000 1.024 68 N CA 1.233 54.277 53.050 -0.010 0.000 0.852 68 N CB -0.007 38.464 38.487 -0.027 0.000 1.003 68 N HN 0.089 nan 8.380 nan 0.000 0.424 69 M N -0.740 118.826 119.600 -0.055 0.000 2.108 69 M HA -0.087 4.394 4.480 0.002 0.000 0.261 69 M C 2.129 178.414 176.300 -0.024 0.000 1.066 69 M CA 1.822 57.083 55.300 -0.065 0.000 1.107 69 M CB -0.619 31.917 32.600 -0.106 0.000 1.356 69 M HN 0.280 nan 8.290 nan 0.000 0.406 70 G N -0.288 108.515 108.800 0.004 0.000 2.433 70 G HA2 -0.150 3.812 3.960 0.002 0.000 0.216 70 G HA3 -0.150 3.812 3.960 0.002 0.000 0.216 70 G C 1.610 176.514 174.900 0.007 0.000 1.186 70 G CA 0.991 46.099 45.100 0.014 0.000 0.779 70 G HN 0.548 nan 8.290 nan 0.000 0.543 71 A N -0.003 122.821 122.820 0.007 0.000 1.883 71 A HA -0.094 4.228 4.320 0.002 0.000 0.217 71 A C 2.388 179.969 177.584 -0.004 0.000 1.186 71 A CA 1.976 54.016 52.037 0.004 0.000 0.624 71 A CB -0.376 18.628 19.000 0.007 0.000 0.822 71 A HN 0.340 nan 8.150 nan 0.000 0.444 72 Q N -1.030 118.761 119.800 -0.014 0.000 2.172 72 Q HA -0.034 4.307 4.340 0.002 0.000 0.200 72 Q C 2.142 178.129 176.000 -0.023 0.000 0.964 72 Q CA 1.152 56.942 55.803 -0.022 0.000 0.855 72 Q CB -0.336 28.383 28.738 -0.033 0.000 0.918 72 Q HN 0.768 nan 8.270 nan 0.000 0.444 73 M N 0.243 119.831 119.600 -0.020 0.000 2.067 73 M HA -0.143 4.338 4.480 0.002 0.000 0.260 73 M C 2.177 178.472 176.300 -0.010 0.000 1.069 73 M CA 1.477 56.768 55.300 -0.016 0.000 1.117 73 M CB -0.273 32.320 32.600 -0.012 0.000 1.334 73 M HN 0.128 nan 8.290 nan 0.000 0.407 74 V N -2.007 117.906 119.914 -0.001 0.000 3.241 74 V HA -0.145 3.977 4.120 0.002 0.000 0.269 74 V C 1.844 177.938 176.094 0.001 0.000 1.151 74 V CA 1.433 63.736 62.300 0.006 0.000 1.158 74 V CB -1.155 30.676 31.823 0.013 0.000 0.764 74 V HN 0.441 nan 8.190 nan 0.000 0.508 75 K N 0.823 121.218 120.400 -0.008 0.000 2.147 75 K HA -0.231 4.090 4.320 0.002 0.000 0.205 75 K C 2.220 178.805 176.600 -0.026 0.000 1.049 75 K CA 1.843 58.122 56.287 -0.013 0.000 0.936 75 K CB -0.093 32.397 32.500 -0.017 0.000 0.722 75 K HN 0.725 nan 8.250 nan 0.000 0.446 76 E N 0.009 120.187 120.200 -0.035 0.000 2.072 76 E HA -0.157 4.195 4.350 0.002 0.000 0.191 76 E C 1.853 178.409 176.600 -0.074 0.000 0.985 76 E CA 0.975 57.337 56.400 -0.064 0.000 0.801 76 E CB 0.059 29.717 29.700 -0.070 0.000 0.750 76 E HN 0.190 nan 8.360 nan 0.000 0.452 77 V N 0.549 120.450 119.914 -0.023 0.000 2.343 77 V HA -0.214 3.907 4.120 0.002 0.000 0.247 77 V C 2.138 178.257 176.094 0.042 0.000 1.051 77 V CA 2.178 64.497 62.300 0.031 0.000 1.036 77 V CB -0.385 31.483 31.823 0.074 0.000 0.654 77 V HN 0.426 nan 8.190 nan 0.000 0.451 78 A N -0.983 121.850 122.820 0.021 0.000 1.898 78 A HA -0.176 4.146 4.320 0.002 0.000 0.216 78 A C 2.528 180.114 177.584 0.003 0.000 1.181 78 A CA 2.242 54.293 52.037 0.022 0.000 0.620 78 A CB -1.002 18.008 19.000 0.015 0.000 0.819 78 A HN 0.588 nan 8.150 nan 0.000 0.442 79 S N -0.855 114.826 115.700 -0.031 0.000 2.343 79 S HA -0.137 4.334 4.470 0.002 0.000 0.219 79 S C 2.157 176.703 174.600 -0.090 0.000 1.033 79 S CA 1.513 59.679 58.200 -0.056 0.000 1.014 79 S CB -0.246 62.912 63.200 -0.070 0.000 0.915 79 S HN 0.402 nan 8.310 nan 0.000 0.435 80 K N 1.254 121.540 120.400 -0.191 0.000 2.283 80 K HA 0.161 4.483 4.320 0.002 0.000 0.202 80 K C 2.034 178.537 176.600 -0.162 0.000 1.048 80 K CA 0.876 56.946 56.287 -0.361 0.000 0.948 80 K CB -0.720 31.290 32.500 -0.816 0.000 0.742 80 K HN 0.386 nan 8.250 nan 0.000 0.458 81 A N 1.611 124.486 122.820 0.093 0.000 1.865 81 A HA -0.222 4.099 4.320 0.002 0.000 0.217 81 A C 2.122 179.777 177.584 0.118 0.000 1.191 81 A CA 1.897 54.082 52.037 0.246 0.000 0.623 81 A CB -0.695 18.419 19.000 0.190 0.000 0.826 81 A HN 0.461 nan 8.150 nan 0.000 0.444 82 N N -0.185 118.543 118.700 0.046 0.000 2.106 82 N HA -0.142 4.600 4.740 0.002 0.000 0.188 82 N C 0.043 175.539 175.510 -0.023 0.000 1.029 82 N CA 1.381 54.438 53.050 0.011 0.000 0.848 82 N CB -0.232 38.255 38.487 -0.000 0.000 1.007 82 N HN 0.379 nan 8.380 nan 0.000 0.423 83 D N -0.077 120.300 120.400 -0.039 0.000 2.355 83 D HA 0.079 4.721 4.640 0.002 0.000 0.253 83 D C 0.599 176.879 176.300 -0.033 0.000 1.187 83 D CA 0.166 54.132 54.000 -0.057 0.000 0.900 83 D CB 0.513 41.266 40.800 -0.079 0.000 0.915 83 D HN 0.400 nan 8.370 nan 0.000 0.516 84 A N -0.515 122.313 122.820 0.014 0.000 1.792 84 A HA 0.477 4.798 4.320 0.002 0.000 0.189 84 A C 1.423 179.047 177.584 0.067 0.000 1.926 84 A CA 0.526 52.600 52.037 0.063 0.000 1.493 84 A CB 0.321 19.422 19.000 0.167 0.000 1.554 84 A HN 0.163 nan 8.150 nan 0.000 0.340 85 A N -1.449 121.417 122.820 0.078 0.000 2.498 85 A HA 0.520 4.842 4.320 0.002 0.000 0.238 85 A C 1.878 179.501 177.584 0.065 0.000 1.225 85 A CA 1.396 53.475 52.037 0.070 0.000 0.978 85 A CB -0.126 18.920 19.000 0.077 0.000 1.142 85 A HN 2.158 nan 8.150 nan 0.000 0.552 86 G N 0.192 109.017 108.800 0.042 0.000 4.655 86 G HA2 -0.335 3.627 3.960 0.002 0.000 0.220 86 G HA3 -0.335 3.627 3.960 0.002 0.000 0.220 86 G C 0.361 175.299 174.900 0.063 0.000 1.403 86 G CA 0.569 45.699 45.100 0.050 0.000 0.931 86 G HN 0.582 nan 8.290 nan 0.000 0.654 87 D N 1.263 121.704 120.400 0.069 0.000 2.451 87 D HA 0.484 5.125 4.640 0.002 0.000 0.259 87 D C 1.539 177.871 176.300 0.052 0.000 1.201 87 D CA 1.272 55.306 54.000 0.057 0.000 1.028 87 D CB 0.487 41.317 40.800 0.050 0.000 1.095 87 D HN 1.646 nan 8.370 nan 0.000 0.539 88 G N -0.376 108.449 108.800 0.043 0.000 2.148 88 G HA2 -0.339 3.622 3.960 0.002 0.000 0.254 88 G HA3 -0.339 3.622 3.960 0.002 0.000 0.254 88 G C 1.111 176.039 174.900 0.047 0.000 0.981 88 G CA 1.609 46.732 45.100 0.039 0.000 0.670 88 G HN 0.630 nan 8.290 nan 0.000 0.528 89 T N -2.344 112.239 114.554 0.049 0.000 2.665 89 T HA -0.199 4.152 4.350 0.002 0.000 0.268 89 T C 2.212 176.936 174.700 0.041 0.000 1.035 89 T CA 2.679 64.808 62.100 0.048 0.000 1.151 89 T CB -0.845 68.046 68.868 0.039 0.000 0.862 89 T HN 0.404 nan 8.240 nan 0.000 0.438 90 T N 1.838 116.412 114.554 0.033 0.000 2.746 90 T HA -0.094 4.257 4.350 0.002 0.000 0.267 90 T C 2.295 177.013 174.700 0.029 0.000 1.039 90 T CA 1.876 63.993 62.100 0.028 0.000 1.142 90 T CB -1.012 67.871 68.868 0.024 0.000 0.866 90 T HN 0.579 nan 8.240 nan 0.000 0.444 91 T N 2.201 116.773 114.554 0.030 0.000 2.684 91 T HA -0.073 4.278 4.350 0.002 0.000 0.267 91 T C 2.420 177.138 174.700 0.031 0.000 1.036 91 T CA 1.214 63.330 62.100 0.027 0.000 1.148 91 T CB -0.640 68.242 68.868 0.024 0.000 0.863 91 T HN 0.440 nan 8.240 nan 0.000 0.436 92 A N 1.532 124.377 122.820 0.042 0.000 1.908 92 A HA -0.161 4.161 4.320 0.002 0.000 0.218 92 A C 2.580 180.193 177.584 0.049 0.000 1.181 92 A CA 2.210 54.280 52.037 0.056 0.000 0.627 92 A CB -1.334 17.721 19.000 0.092 0.000 0.818 92 A HN 0.500 nan 8.150 nan 0.000 0.445 93 T N -0.513 114.066 114.554 0.042 0.000 2.777 93 T HA -0.091 4.260 4.350 0.002 0.000 0.266 93 T C 1.865 176.582 174.700 0.028 0.000 1.040 93 T CA 1.402 63.522 62.100 0.034 0.000 1.141 93 T CB -0.413 68.472 68.868 0.029 0.000 0.868 93 T HN 0.147 nan 8.240 nan 0.000 0.444 94 V N 1.506 121.436 119.914 0.026 0.000 2.295 94 V HA -0.134 3.988 4.120 0.002 0.000 0.246 94 V C 2.492 178.599 176.094 0.022 0.000 1.049 94 V CA 1.537 63.850 62.300 0.022 0.000 1.024 94 V CB -0.648 31.188 31.823 0.021 0.000 0.648 94 V HN 0.424 nan 8.190 nan 0.000 0.447 95 L N -0.158 121.080 121.223 0.024 0.000 2.046 95 L HA -0.170 4.171 4.340 0.002 0.000 0.208 95 L C 2.728 179.613 176.870 0.025 0.000 1.077 95 L CA 1.598 56.451 54.840 0.022 0.000 0.747 95 L CB -0.825 41.246 42.059 0.021 0.000 0.896 95 L HN 0.361 nan 8.230 nan 0.000 0.432 96 A N 0.635 123.473 122.820 0.030 0.000 1.865 96 A HA -0.305 4.017 4.320 0.002 0.000 0.217 96 A C 2.256 179.855 177.584 0.025 0.000 1.191 96 A CA 2.070 54.126 52.037 0.031 0.000 0.623 96 A CB -0.790 18.232 19.000 0.036 0.000 0.826 96 A HN 0.632 nan 8.150 nan 0.000 0.444 97 Q N -0.698 119.115 119.800 0.023 0.000 2.170 97 Q HA 0.030 4.371 4.340 0.002 0.000 0.203 97 Q C 1.955 177.966 176.000 0.019 0.000 0.976 97 Q CA 1.768 57.583 55.803 0.020 0.000 0.858 97 Q CB -0.509 28.241 28.738 0.019 0.000 0.907 97 Q HN 0.502 nan 8.270 nan 0.000 0.433 98 A N 1.356 124.187 122.820 0.018 0.000 1.897 98 A HA -0.041 4.280 4.320 0.002 0.000 0.215 98 A C 2.133 179.727 177.584 0.016 0.000 1.181 98 A CA 1.153 53.199 52.037 0.016 0.000 0.620 98 A CB -0.529 18.480 19.000 0.016 0.000 0.821 98 A HN 0.415 nan 8.150 nan 0.000 0.443 99 I N -0.306 120.275 120.570 0.018 0.000 2.226 99 I HA -0.242 3.929 4.170 0.002 0.000 0.245 99 I C 2.249 178.377 176.117 0.018 0.000 1.100 99 I CA 1.188 62.498 61.300 0.017 0.000 1.374 99 I CB -0.344 37.667 38.000 0.019 0.000 1.057 99 I HN 0.285 nan 8.210 nan 0.000 0.413 100 I N 0.359 120.940 120.570 0.019 0.000 2.226 100 I HA -0.284 3.888 4.170 0.002 0.000 0.245 100 I C 2.570 178.698 176.117 0.018 0.000 1.100 100 I CA 1.576 62.887 61.300 0.019 0.000 1.374 100 I CB -0.574 37.438 38.000 0.020 0.000 1.057 100 I HN 0.233 nan 8.210 nan 0.000 0.413 101 T N 0.154 114.719 114.554 0.017 0.000 2.643 101 T HA -0.161 4.191 4.350 0.002 0.000 0.264 101 T C 1.819 176.527 174.700 0.015 0.000 1.045 101 T CA 1.304 63.414 62.100 0.016 0.000 1.155 101 T CB -0.179 68.698 68.868 0.014 0.000 0.863 101 T HN 0.294 nan 8.240 nan 0.000 0.420 102 E N 0.560 120.768 120.200 0.014 0.000 2.152 102 E HA 0.018 4.370 4.350 0.002 0.000 0.192 102 E C 2.508 179.116 176.600 0.013 0.000 0.983 102 E CA 0.812 57.219 56.400 0.013 0.000 0.818 102 E CB -0.605 29.102 29.700 0.012 0.000 0.758 102 E HN 0.566 nan 8.360 nan 0.000 0.467 103 G N 1.353 110.162 108.800 0.015 0.000 2.404 103 G HA2 -0.186 3.776 3.960 0.002 0.000 0.215 103 G HA3 -0.186 3.776 3.960 0.002 0.000 0.215 103 G C 1.734 176.643 174.900 0.016 0.000 1.174 103 G CA 0.259 45.369 45.100 0.015 0.000 0.780 103 G HN 0.150 nan 8.290 nan 0.000 0.537 104 L N 0.164 121.398 121.223 0.018 0.000 2.083 104 L HA -0.053 4.289 4.340 0.002 0.000 0.209 104 L C 2.824 179.705 176.870 0.018 0.000 1.083 104 L CA 1.291 56.142 54.840 0.019 0.000 0.752 104 L CB -0.324 41.748 42.059 0.021 0.000 0.899 104 L HN 0.221 nan 8.230 nan 0.000 0.433 105 K N 0.523 120.932 120.400 0.015 0.000 2.032 105 K HA -0.221 4.100 4.320 0.002 0.000 0.209 105 K C 2.137 178.745 176.600 0.013 0.000 1.048 105 K CA 1.562 57.857 56.287 0.013 0.000 0.927 105 K CB -0.084 32.423 32.500 0.012 0.000 0.712 105 K HN 0.281 nan 8.250 nan 0.000 0.441 106 A N 0.635 123.463 122.820 0.013 0.000 1.933 106 A HA -0.101 4.221 4.320 0.002 0.000 0.218 106 A C 2.226 179.818 177.584 0.015 0.000 1.175 106 A CA 1.510 53.554 52.037 0.013 0.000 0.628 106 A CB -0.559 18.448 19.000 0.012 0.000 0.814 106 A HN 0.183 nan 8.150 nan 0.000 0.444 107 V N -0.229 119.695 119.914 0.017 0.000 2.332 107 V HA -0.266 3.856 4.120 0.002 0.000 0.248 107 V C 2.981 179.088 176.094 0.020 0.000 1.055 107 V CA 2.025 64.337 62.300 0.019 0.000 1.038 107 V CB -1.101 30.735 31.823 0.022 0.000 0.651 107 V HN 0.617 nan 8.190 nan 0.000 0.450 108 A N -0.362 122.469 122.820 0.019 0.000 1.970 108 A HA 0.106 4.427 4.320 0.002 0.000 0.216 108 A C 2.365 179.958 177.584 0.014 0.000 1.170 108 A CA 1.463 53.511 52.037 0.018 0.000 0.645 108 A CB -0.546 18.464 19.000 0.017 0.000 0.816 108 A HN 0.538 nan 8.150 nan 0.000 0.447 109 A N -1.524 121.303 122.820 0.013 0.000 2.015 109 A HA 0.333 4.655 4.320 0.002 0.000 0.219 109 A C 1.799 179.390 177.584 0.011 0.000 1.163 109 A CA 1.805 53.849 52.037 0.011 0.000 0.646 109 A CB -0.643 18.363 19.000 0.010 0.000 0.806 109 A HN 1.783 nan 8.150 nan 0.000 0.448 110 G N -3.096 105.712 108.800 0.013 0.000 2.155 110 G HA2 -0.065 3.896 3.960 0.002 0.000 0.130 110 G HA3 -0.065 3.896 3.960 0.002 0.000 0.130 110 G C -0.081 174.827 174.900 0.013 0.000 1.027 110 G CA -0.004 45.103 45.100 0.013 0.000 0.705 110 G HN 0.210 nan 8.290 nan 0.000 0.496 111 M N 1.142 120.749 119.600 0.013 0.000 2.240 111 M HA 0.361 4.842 4.480 0.002 0.000 0.333 111 M C 0.693 177.001 176.300 0.014 0.000 1.110 111 M CA -0.656 54.651 55.300 0.012 0.000 1.173 111 M CB 0.353 32.960 32.600 0.012 0.000 1.458 111 M HN 0.219 nan 8.290 nan 0.000 0.458 112 N N 2.732 121.440 118.700 0.013 0.000 2.438 112 N HA 0.118 4.859 4.740 0.002 0.000 0.267 112 N C -2.160 173.358 175.510 0.014 0.000 1.222 112 N CA -1.500 51.559 53.050 0.014 0.000 0.930 112 N CB 0.653 39.147 38.487 0.012 0.000 1.083 112 N HN 0.259 nan 8.380 nan 0.000 0.476 113 P HA -0.085 nan 4.420 nan 0.000 0.220 113 P C 1.277 178.585 177.300 0.014 0.000 1.148 113 P CA 0.843 63.952 63.100 0.015 0.000 0.803 113 P CB 0.170 31.880 31.700 0.017 0.000 0.782 114 M N -0.527 119.081 119.600 0.013 0.000 2.229 114 M HA -0.103 4.378 4.480 0.002 0.000 0.264 114 M C 1.167 177.474 176.300 0.011 0.000 1.063 114 M CA 1.731 57.038 55.300 0.012 0.000 1.114 114 M CB -0.828 31.779 32.600 0.011 0.000 1.387 114 M HN -0.229 nan 8.290 nan 0.000 0.420 115 D N -0.695 119.712 120.400 0.011 0.000 2.249 115 D HA 0.000 4.642 4.640 0.002 0.000 0.205 115 D C 2.045 178.351 176.300 0.011 0.000 0.962 115 D CA 0.833 54.839 54.000 0.010 0.000 0.860 115 D CB -0.094 40.712 40.800 0.010 0.000 0.955 115 D HN 0.349 nan 8.370 nan 0.000 0.505 116 L N 0.843 122.073 121.223 0.012 0.000 2.012 116 L HA -0.191 4.150 4.340 0.002 0.000 0.210 116 L C 2.549 179.426 176.870 0.012 0.000 1.073 116 L CA 1.261 56.108 54.840 0.012 0.000 0.748 116 L CB -0.345 41.721 42.059 0.013 0.000 0.891 116 L HN -0.030 nan 8.230 nan 0.000 0.431 117 K N 0.374 120.782 120.400 0.013 0.000 2.002 117 K HA -0.203 4.118 4.320 0.002 0.000 0.209 117 K C 2.291 178.899 176.600 0.012 0.000 1.048 117 K CA 1.479 57.774 56.287 0.014 0.000 0.930 117 K CB -0.012 32.497 32.500 0.014 0.000 0.714 117 K HN 0.158 nan 8.250 nan 0.000 0.438 118 R N -0.557 119.950 120.500 0.011 0.000 2.139 118 R HA -0.125 4.217 4.340 0.002 0.000 0.243 118 R C 2.376 178.681 176.300 0.009 0.000 1.145 118 R CA 1.404 57.510 56.100 0.010 0.000 0.976 118 R CB -0.409 29.896 30.300 0.009 0.000 0.866 118 R HN 0.385 nan 8.270 nan 0.000 0.449 119 G N 0.699 109.505 108.800 0.009 0.000 2.394 119 G HA2 -0.172 3.789 3.960 0.002 0.000 0.215 119 G HA3 -0.172 3.789 3.960 0.002 0.000 0.215 119 G C 1.416 176.321 174.900 0.008 0.000 1.165 119 G CA 0.355 45.460 45.100 0.008 0.000 0.784 119 G HN 0.129 nan 8.290 nan 0.000 0.535 120 I N 1.254 121.830 120.570 0.010 0.000 2.099 120 I HA -0.181 3.991 4.170 0.002 0.000 0.239 120 I C 2.394 178.516 176.117 0.008 0.000 1.066 120 I CA 1.469 62.775 61.300 0.010 0.000 1.324 120 I CB -0.237 37.770 38.000 0.013 0.000 1.037 120 I HN 0.042 nan 8.210 nan 0.000 0.401 121 D N 0.752 121.157 120.400 0.010 0.000 2.133 121 D HA -0.238 4.404 4.640 0.002 0.000 0.195 121 D C 2.059 178.362 176.300 0.006 0.000 0.997 121 D CA 1.343 55.348 54.000 0.009 0.000 0.840 121 D CB -0.295 40.511 40.800 0.011 0.000 0.947 121 D HN 0.296 nan 8.370 nan 0.000 0.452 122 K N 0.448 120.851 120.400 0.006 0.000 2.026 122 K HA -0.080 4.241 4.320 0.002 0.000 0.208 122 K C 2.025 178.627 176.600 0.003 0.000 1.048 122 K CA 1.285 57.574 56.287 0.004 0.000 0.929 122 K CB -0.051 32.452 32.500 0.005 0.000 0.713 122 K HN 0.047 nan 8.250 nan 0.000 0.439 123 A N 0.525 123.346 122.820 0.003 0.000 1.898 123 A HA -0.093 4.228 4.320 0.002 0.000 0.216 123 A C 2.222 179.806 177.584 -0.001 0.000 1.181 123 A CA 1.497 53.536 52.037 0.002 0.000 0.620 123 A CB -0.570 18.432 19.000 0.004 0.000 0.819 123 A HN 0.178 nan 8.150 nan 0.000 0.442 124 V N -0.229 119.684 119.914 -0.001 0.000 2.358 124 V HA -0.214 3.907 4.120 0.002 0.000 0.246 124 V C 2.755 178.842 176.094 -0.011 0.000 1.047 124 V CA 2.436 64.731 62.300 -0.007 0.000 1.035 124 V CB -1.172 30.647 31.823 -0.007 0.000 0.658 124 V HN 0.615 nan 8.190 nan 0.000 0.452 125 T N 0.530 115.080 114.554 -0.007 0.000 2.652 125 T HA -0.219 4.133 4.350 0.002 0.000 0.267 125 T C 2.082 176.778 174.700 -0.007 0.000 1.039 125 T CA 1.800 63.896 62.100 -0.007 0.000 1.153 125 T CB -0.507 68.359 68.868 -0.002 0.000 0.863 125 T HN 0.576 nan 8.240 nan 0.000 0.428 126 A N 1.568 124.386 122.820 -0.004 0.000 1.883 126 A HA 0.063 4.384 4.320 0.002 0.000 0.217 126 A C 2.676 180.257 177.584 -0.004 0.000 1.186 126 A CA 2.092 54.127 52.037 -0.003 0.000 0.624 126 A CB -1.247 17.752 19.000 -0.001 0.000 0.822 126 A HN 0.529 nan 8.150 nan 0.000 0.444 127 A N -0.773 122.044 122.820 -0.005 0.000 1.933 127 A HA -0.008 4.314 4.320 0.002 0.000 0.218 127 A C 2.244 179.821 177.584 -0.012 0.000 1.175 127 A CA 1.851 53.884 52.037 -0.007 0.000 0.628 127 A CB -0.896 18.100 19.000 -0.007 0.000 0.814 127 A HN 0.408 nan 8.150 nan 0.000 0.444 128 V N 0.226 120.129 119.914 -0.017 0.000 2.358 128 V HA -0.169 3.952 4.120 0.002 0.000 0.246 128 V C 2.446 178.530 176.094 -0.016 0.000 1.047 128 V CA 2.044 64.330 62.300 -0.024 0.000 1.035 128 V CB -0.629 31.175 31.823 -0.033 0.000 0.658 128 V HN 0.509 nan 8.190 nan 0.000 0.452 129 E N -0.374 119.819 120.200 -0.011 0.000 2.274 129 E HA -0.120 4.231 4.350 0.002 0.000 0.194 129 E C 2.200 178.797 176.600 -0.005 0.000 0.996 129 E CA 0.492 56.888 56.400 -0.007 0.000 0.840 129 E CB -0.186 29.511 29.700 -0.005 0.000 0.772 129 E HN 0.589 nan 8.360 nan 0.000 0.491 130 E N 0.616 120.814 120.200 -0.004 0.000 2.106 130 E HA -0.065 4.287 4.350 0.002 0.000 0.192 130 E C 2.304 178.903 176.600 -0.002 0.000 0.984 130 E CA 0.365 56.765 56.400 -0.001 0.000 0.806 130 E CB -0.108 29.592 29.700 0.000 0.000 0.750 130 E HN 0.301 nan 8.360 nan 0.000 0.458 131 L N 0.605 121.825 121.223 -0.005 0.000 2.141 131 L HA -0.172 4.169 4.340 0.002 0.000 0.209 131 L C 2.327 179.194 176.870 -0.006 0.000 1.094 131 L CA 0.937 55.774 54.840 -0.006 0.000 0.763 131 L CB -0.232 41.820 42.059 -0.012 0.000 0.908 131 L HN -0.015 nan 8.230 nan 0.000 0.437 132 K N 0.450 120.846 120.400 -0.007 0.000 2.032 132 K HA -0.136 4.185 4.320 0.002 0.000 0.209 132 K C 2.142 178.741 176.600 -0.001 0.000 1.048 132 K CA 1.573 57.858 56.287 -0.005 0.000 0.927 132 K CB -0.560 31.937 32.500 -0.005 0.000 0.712 132 K HN 0.265 nan 8.250 nan 0.000 0.441 133 A N -0.306 122.514 122.820 -0.000 0.000 2.015 133 A HA -0.072 4.250 4.320 0.002 0.000 0.219 133 A C 1.799 179.385 177.584 0.003 0.000 1.163 133 A CA 1.225 53.263 52.037 0.001 0.000 0.646 133 A CB -0.244 18.757 19.000 0.002 0.000 0.806 133 A HN 0.161 nan 8.150 nan 0.000 0.448 134 L N -1.092 120.133 121.223 0.003 0.000 2.463 134 L HA 0.185 4.527 4.340 0.002 0.000 0.219 134 L C 1.378 178.251 176.870 0.005 0.000 1.088 134 L CA 0.662 55.505 54.840 0.006 0.000 0.849 134 L CB -0.098 41.966 42.059 0.008 0.000 1.012 134 L HN 0.215 nan 8.230 nan 0.000 0.468 135 S N 0.524 116.226 115.700 0.003 0.000 2.481 135 S HA 0.271 4.742 4.470 0.002 0.000 0.282 135 S C -0.029 174.573 174.600 0.003 0.000 1.243 135 S CA -0.614 57.588 58.200 0.002 0.000 1.078 135 S CB -0.041 63.159 63.200 -0.000 0.000 0.916 135 S HN 0.099 nan 8.310 nan 0.000 0.495 136 V N 4.641 124.557 119.914 0.004 0.000 2.607 136 V HA 0.615 4.736 4.120 0.002 0.000 0.289 136 V C -2.537 173.559 176.094 0.004 0.000 1.053 136 V CA -2.598 59.704 62.300 0.004 0.000 0.996 136 V CB 0.410 32.236 31.823 0.005 0.000 0.995 136 V HN 0.576 nan 8.190 nan 0.000 0.476 137 P HA 0.107 nan 4.420 nan 0.000 0.266 137 P C -0.150 177.152 177.300 0.003 0.000 1.195 137 P CA -0.188 62.914 63.100 0.003 0.000 0.768 137 P CB 0.415 32.117 31.700 0.003 0.000 0.838 138 C N 3.399 122.701 119.300 0.004 0.000 3.025 138 C HA 0.101 4.563 4.460 0.002 0.000 0.547 138 C C 1.620 176.611 174.990 0.002 0.000 1.058 138 C CA 0.372 59.392 59.018 0.003 0.000 1.164 138 C CB -2.581 25.161 27.740 0.004 0.000 1.405 138 C HN 0.589 nan 8.230 nan 0.000 0.610 139 S N 0.452 116.153 115.700 0.002 0.000 2.593 139 S HA 0.122 4.594 4.470 0.002 0.000 0.217 139 S C -0.085 174.515 174.600 0.000 0.000 0.966 139 S CA -0.079 58.122 58.200 0.001 0.000 0.914 139 S CB -0.299 62.902 63.200 0.002 0.000 0.776 139 S HN 0.920 nan 8.310 nan 0.000 0.523 140 D N -1.535 118.864 120.400 -0.000 0.000 2.602 140 D HA 0.467 5.108 4.640 0.002 0.000 0.236 140 D C 0.259 176.558 176.300 -0.003 0.000 1.209 140 D CA -0.794 53.205 54.000 -0.001 0.000 0.831 140 D CB 0.924 41.723 40.800 -0.001 0.000 1.478 140 D HN -0.158 nan 8.370 nan 0.000 0.438 141 S N 0.040 115.738 115.700 -0.004 0.000 2.419 141 S HA -0.165 4.307 4.470 0.002 0.000 0.233 141 S C 1.555 176.152 174.600 -0.006 0.000 1.016 141 S CA 1.088 59.285 58.200 -0.005 0.000 0.974 141 S CB -0.257 62.939 63.200 -0.006 0.000 0.786 141 S HN 0.601 nan 8.310 nan 0.000 0.492 142 K N 1.721 122.117 120.400 -0.005 0.000 2.076 142 K HA 0.094 4.416 4.320 0.002 0.000 0.204 142 K C 2.276 178.872 176.600 -0.006 0.000 1.051 142 K CA 0.935 57.218 56.287 -0.006 0.000 0.949 142 K CB -0.382 32.115 32.500 -0.006 0.000 0.726 142 K HN 0.248 nan 8.250 nan 0.000 0.443 143 A N 1.677 124.495 122.820 -0.004 0.000 1.883 143 A HA -0.153 4.168 4.320 0.002 0.000 0.217 143 A C 2.109 179.691 177.584 -0.004 0.000 1.186 143 A CA 1.672 53.706 52.037 -0.003 0.000 0.624 143 A CB -0.702 18.297 19.000 -0.001 0.000 0.822 143 A HN 0.367 nan 8.150 nan 0.000 0.444 144 I N -0.224 120.343 120.570 -0.004 0.000 2.127 144 I HA -0.332 3.839 4.170 0.002 0.000 0.241 144 I C 3.009 179.122 176.117 -0.007 0.000 1.075 144 I CA 1.254 62.551 61.300 -0.004 0.000 1.334 144 I CB -0.429 37.568 38.000 -0.005 0.000 1.040 144 I HN 0.372 nan 8.210 nan 0.000 0.405 145 A N 0.023 122.838 122.820 -0.008 0.000 1.908 145 A HA -0.281 4.040 4.320 0.002 0.000 0.218 145 A C 2.255 179.833 177.584 -0.010 0.000 1.181 145 A CA 1.776 53.807 52.037 -0.010 0.000 0.627 145 A CB -0.666 18.328 19.000 -0.010 0.000 0.818 145 A HN 0.492 nan 8.150 nan 0.000 0.445 146 Q N -0.513 119.282 119.800 -0.009 0.000 2.020 146 Q HA -0.138 4.204 4.340 0.002 0.000 0.202 146 Q C 2.250 178.245 176.000 -0.008 0.000 0.982 146 Q CA 2.244 58.041 55.803 -0.010 0.000 0.838 146 Q CB -0.501 28.230 28.738 -0.010 0.000 0.899 146 Q HN 0.754 nan 8.270 nan 0.000 0.423 147 V N -2.375 117.536 119.914 -0.005 0.000 2.626 147 V HA -0.032 4.089 4.120 0.002 0.000 0.252 147 V C 1.912 178.005 176.094 -0.001 0.000 1.067 147 V CA 1.894 64.193 62.300 -0.001 0.000 1.081 147 V CB -1.307 30.518 31.823 0.002 0.000 0.686 147 V HN 0.355 nan 8.190 nan 0.000 0.468 148 G N 0.238 109.035 108.800 -0.005 0.000 2.404 148 G HA2 -0.184 3.778 3.960 0.002 0.000 0.215 148 G HA3 -0.184 3.778 3.960 0.002 0.000 0.215 148 G C 1.563 176.458 174.900 -0.008 0.000 1.174 148 G CA 1.414 46.509 45.100 -0.007 0.000 0.780 148 G HN 0.474 nan 8.290 nan 0.000 0.537 149 T N 1.216 115.765 114.554 -0.010 0.000 2.821 149 T HA -0.065 4.286 4.350 0.002 0.000 0.267 149 T C 2.370 177.064 174.700 -0.010 0.000 1.046 149 T CA 0.848 62.942 62.100 -0.011 0.000 1.139 149 T CB -0.119 68.740 68.868 -0.014 0.000 0.871 149 T HN 0.105 nan 8.240 nan 0.000 0.454 150 I N 1.009 121.574 120.570 -0.008 0.000 2.179 150 I HA -0.135 4.036 4.170 0.002 0.000 0.242 150 I C 2.672 178.789 176.117 0.000 0.000 1.088 150 I CA 1.137 62.433 61.300 -0.006 0.000 1.357 150 I CB -0.703 37.294 38.000 -0.005 0.000 1.051 150 I HN 0.156 nan 8.210 nan 0.000 0.409 151 S N -0.025 115.677 115.700 0.004 0.000 2.382 151 S HA -0.116 4.356 4.470 0.002 0.000 0.228 151 S C 2.048 176.654 174.600 0.010 0.000 1.027 151 S CA 1.251 59.457 58.200 0.011 0.000 0.991 151 S CB -0.320 62.889 63.200 0.014 0.000 0.823 151 S HN 0.446 nan 8.310 nan 0.000 0.469 152 A N 0.574 123.396 122.820 0.003 0.000 2.238 152 A HA 0.291 4.613 4.320 0.002 0.000 0.208 152 A C 0.865 178.449 177.584 -0.000 0.000 1.177 152 A CA 0.405 52.442 52.037 0.001 0.000 0.804 152 A CB -0.540 18.457 19.000 -0.005 0.000 0.823 152 A HN 0.729 nan 8.150 nan 0.000 0.482 153 N N -1.339 117.360 118.700 -0.001 0.000 2.989 153 N HA -0.177 4.564 4.740 0.002 0.000 0.247 153 N C -0.085 175.420 175.510 -0.008 0.000 1.119 153 N CA 0.695 53.744 53.050 -0.002 0.000 0.755 153 N CB -1.205 37.283 38.487 0.002 0.000 1.100 153 N HN 0.360 nan 8.380 nan 0.000 0.550 154 S N -0.895 114.799 115.700 -0.011 0.000 2.903 154 S HA -0.138 4.333 4.470 0.002 0.000 0.270 154 S C -0.510 174.080 174.600 -0.015 0.000 1.366 154 S CA 0.575 58.765 58.200 -0.016 0.000 0.991 154 S CB -0.784 62.404 63.200 -0.021 0.000 1.237 154 S HN 0.590 nan 8.310 nan 0.000 0.712 155 D N 1.937 122.329 120.400 -0.012 0.000 2.383 155 D HA 0.170 4.812 4.640 0.002 0.000 0.245 155 D C 1.201 177.493 176.300 -0.013 0.000 1.263 155 D CA 0.079 54.072 54.000 -0.012 0.000 0.936 155 D CB 0.443 41.237 40.800 -0.010 0.000 1.053 155 D HN 0.496 nan 8.370 nan 0.000 0.507 156 E N 1.299 121.490 120.200 -0.014 0.000 2.118 156 E HA -0.171 4.181 4.350 0.002 0.000 0.195 156 E C 1.716 178.307 176.600 -0.014 0.000 0.992 156 E CA 1.456 57.847 56.400 -0.015 0.000 0.804 156 E CB 0.170 29.861 29.700 -0.015 0.000 0.741 156 E HN 0.596 nan 8.360 nan 0.000 0.458 157 T N 0.122 114.668 114.554 -0.013 0.000 2.668 157 T HA -0.123 4.228 4.350 0.002 0.000 0.262 157 T C 2.230 176.922 174.700 -0.014 0.000 1.045 157 T CA 1.121 63.214 62.100 -0.013 0.000 1.152 157 T CB -0.721 68.140 68.868 -0.012 0.000 0.864 157 T HN -0.042 nan 8.240 nan 0.000 0.419 158 V N 2.017 121.923 119.914 -0.014 0.000 2.343 158 V HA -0.032 4.089 4.120 0.002 0.000 0.247 158 V C 3.028 179.111 176.094 -0.017 0.000 1.051 158 V CA 1.921 64.211 62.300 -0.016 0.000 1.036 158 V CB -1.498 30.316 31.823 -0.015 0.000 0.654 158 V HN 0.693 nan 8.190 nan 0.000 0.451 159 G N -0.251 108.540 108.800 -0.015 0.000 2.404 159 G HA2 -0.309 3.653 3.960 0.002 0.000 0.215 159 G HA3 -0.309 3.653 3.960 0.002 0.000 0.215 159 G C 1.595 176.486 174.900 -0.015 0.000 1.174 159 G CA 1.127 46.218 45.100 -0.015 0.000 0.780 159 G HN 0.450 nan 8.290 nan 0.000 0.537 160 K N -0.033 120.359 120.400 -0.014 0.000 2.057 160 K HA 0.029 4.351 4.320 0.002 0.000 0.207 160 K C 2.308 178.900 176.600 -0.014 0.000 1.049 160 K CA 0.852 57.131 56.287 -0.013 0.000 0.931 160 K CB -0.604 31.888 32.500 -0.012 0.000 0.714 160 K HN 0.255 nan 8.250 nan 0.000 0.440 161 L N 0.447 121.661 121.223 -0.015 0.000 2.056 161 L HA 0.045 4.386 4.340 0.002 0.000 0.207 161 L C 1.985 178.843 176.870 -0.019 0.000 1.078 161 L CA 1.452 56.282 54.840 -0.016 0.000 0.749 161 L CB -0.268 41.781 42.059 -0.017 0.000 0.901 161 L HN 0.230 nan 8.230 nan 0.000 0.433 162 I N -0.750 119.807 120.570 -0.022 0.000 2.226 162 I HA -0.291 3.880 4.170 0.002 0.000 0.245 162 I C 2.539 178.644 176.117 -0.020 0.000 1.100 162 I CA 1.124 62.409 61.300 -0.026 0.000 1.374 162 I CB -0.582 37.399 38.000 -0.032 0.000 1.057 162 I HN 0.317 nan 8.210 nan 0.000 0.413 163 A N 0.400 123.211 122.820 -0.016 0.000 1.902 163 A HA -0.225 4.097 4.320 0.002 0.000 0.217 163 A C 2.200 179.777 177.584 -0.012 0.000 1.181 163 A CA 1.638 53.667 52.037 -0.013 0.000 0.623 163 A CB -0.566 18.428 19.000 -0.011 0.000 0.818 163 A HN 0.434 nan 8.150 nan 0.000 0.443 164 E N -0.372 119.821 120.200 -0.012 0.000 2.153 164 E HA -0.089 4.262 4.350 0.002 0.000 0.194 164 E C 2.235 178.828 176.600 -0.012 0.000 0.988 164 E CA 0.784 57.177 56.400 -0.011 0.000 0.811 164 E CB -0.224 29.469 29.700 -0.012 0.000 0.746 164 E HN 0.648 nan 8.360 nan 0.000 0.466 165 A N 0.990 123.802 122.820 -0.014 0.000 1.872 165 A HA -0.144 4.178 4.320 0.002 0.000 0.214 165 A C 2.143 179.720 177.584 -0.012 0.000 1.187 165 A CA 1.063 53.092 52.037 -0.014 0.000 0.614 165 A CB -0.348 18.641 19.000 -0.018 0.000 0.826 165 A HN 0.113 nan 8.150 nan 0.000 0.442 166 M N -0.829 118.764 119.600 -0.012 0.000 2.159 166 M HA -0.183 4.298 4.480 0.002 0.000 0.263 166 M C 1.886 178.182 176.300 -0.007 0.000 1.063 166 M CA 2.083 57.378 55.300 -0.009 0.000 1.110 166 M CB -0.633 31.962 32.600 -0.009 0.000 1.374 166 M HN 0.571 nan 8.290 nan 0.000 0.411 167 D N 0.269 120.665 120.400 -0.007 0.000 2.182 167 D HA -0.167 4.474 4.640 0.002 0.000 0.201 167 D C 1.811 178.108 176.300 -0.006 0.000 0.986 167 D CA 1.261 55.258 54.000 -0.006 0.000 0.847 167 D CB 0.305 41.100 40.800 -0.007 0.000 0.942 167 D HN 0.019 nan 8.370 nan 0.000 0.467 168 K N -0.531 119.865 120.400 -0.007 0.000 2.166 168 K HA 0.082 4.403 4.320 0.002 0.000 0.201 168 K C 1.899 178.496 176.600 -0.005 0.000 1.052 168 K CA 0.875 57.158 56.287 -0.006 0.000 0.969 168 K CB -0.129 32.366 32.500 -0.008 0.000 0.761 168 K HN 0.256 nan 8.250 nan 0.000 0.459 169 V N -3.151 116.760 119.914 -0.005 0.000 3.590 169 V HA 0.406 4.527 4.120 0.002 0.000 0.265 169 V C 0.791 176.884 176.094 -0.002 0.000 1.239 169 V CA 0.414 62.712 62.300 -0.004 0.000 1.117 169 V CB -0.675 31.145 31.823 -0.004 0.000 0.818 169 V HN 0.268 nan 8.190 nan 0.000 0.451 170 G N 0.760 109.558 108.800 -0.002 0.000 2.756 170 G HA2 -0.207 3.754 3.960 0.002 0.000 0.678 170 G HA3 -0.207 3.754 3.960 0.002 0.000 0.678 170 G C 0.140 175.040 174.900 0.000 0.000 1.349 170 G CA 0.047 45.146 45.100 -0.001 0.000 0.847 170 G HN 0.371 nan 8.290 nan 0.000 0.548 171 K N 0.098 120.499 120.400 0.001 0.000 2.127 171 K HA -0.199 4.122 4.320 0.002 0.000 0.212 171 K C 1.661 178.265 176.600 0.005 0.000 1.050 171 K CA 2.308 58.597 56.287 0.003 0.000 0.929 171 K CB -0.068 32.435 32.500 0.004 0.000 0.715 171 K HN 0.644 nan 8.250 nan 0.000 0.457 172 E N -0.187 120.016 120.200 0.005 0.000 2.693 172 E HA 0.114 4.466 4.350 0.002 0.000 0.214 172 E C 0.215 176.818 176.600 0.006 0.000 0.990 172 E CA -0.421 55.983 56.400 0.007 0.000 1.047 172 E CB 1.197 30.902 29.700 0.007 0.000 1.039 172 E HN 0.227 nan 8.360 nan 0.000 0.475 173 G N 0.994 109.797 108.800 0.004 0.000 2.527 173 G HA2 0.250 4.212 3.960 0.002 0.000 0.248 173 G HA3 0.250 4.212 3.960 0.002 0.000 0.248 173 G C 0.151 175.053 174.900 0.002 0.000 1.231 173 G CA -0.392 44.710 45.100 0.002 0.000 0.838 173 G HN -0.020 nan 8.290 nan 0.000 0.570 174 V N 2.160 122.076 119.914 0.003 0.000 2.488 174 V HA 0.289 4.411 4.120 0.002 0.000 0.277 174 V C 0.345 176.437 176.094 -0.003 0.000 1.046 174 V CA 0.153 62.455 62.300 0.003 0.000 0.986 174 V CB 0.667 32.494 31.823 0.007 0.000 0.989 174 V HN 0.461 nan 8.190 nan 0.000 0.475 175 I N 4.714 125.280 120.570 -0.008 0.000 2.545 175 I HA 0.562 4.734 4.170 0.002 0.000 0.292 175 I C 0.200 176.306 176.117 -0.017 0.000 1.040 175 I CA -0.320 60.970 61.300 -0.016 0.000 1.068 175 I CB 2.425 40.409 38.000 -0.027 0.000 1.251 175 I HN 0.709 nan 8.210 nan 0.000 0.424 176 T N 2.243 116.788 114.554 -0.015 0.000 2.926 176 T HA 0.774 5.126 4.350 0.002 0.000 0.289 176 T C -0.902 173.788 174.700 -0.017 0.000 1.054 176 T CA -0.944 61.149 62.100 -0.011 0.000 1.015 176 T CB 2.302 71.170 68.868 -0.000 0.000 1.167 176 T HN 0.380 nan 8.240 nan 0.000 0.526 177 V N 0.588 120.495 119.914 -0.012 0.000 2.612 177 V HA 0.621 4.742 4.120 0.002 0.000 0.301 177 V C -1.752 174.340 176.094 -0.004 0.000 1.059 177 V CA -0.367 61.925 62.300 -0.014 0.000 0.886 177 V CB 1.534 33.342 31.823 -0.025 0.000 1.007 177 V HN 1.074 nan 8.190 nan 0.000 0.426 178 E N 4.841 125.038 120.200 -0.005 0.000 2.290 178 E HA 0.363 4.714 4.350 0.002 0.000 0.274 178 E C -1.691 174.908 176.600 -0.003 0.000 0.889 178 E CA -0.778 55.621 56.400 -0.001 0.000 0.760 178 E CB 2.156 31.855 29.700 -0.002 0.000 1.206 178 E HN 0.879 nan 8.360 nan 0.000 0.419 179 D N 2.181 122.581 120.400 -0.000 0.000 2.351 179 D HA 0.354 4.996 4.640 0.002 0.000 0.251 179 D C 0.143 176.442 176.300 -0.003 0.000 1.137 179 D CA -0.256 53.744 54.000 -0.001 0.000 0.879 179 D CB 1.888 42.689 40.800 0.002 0.000 1.181 179 D HN 0.516 nan 8.370 nan 0.000 0.448 180 G N 0.271 109.068 108.800 -0.004 0.000 3.195 180 G HA2 0.427 4.389 3.960 0.002 0.000 0.217 180 G HA3 0.427 4.389 3.960 0.002 0.000 0.217 180 G C 0.016 174.912 174.900 -0.005 0.000 1.166 180 G CA -0.238 44.858 45.100 -0.005 0.000 0.812 180 G HN 0.506 nan 8.290 nan 0.000 0.617 181 T N -2.005 112.545 114.554 -0.006 0.000 3.215 181 T HA 0.523 4.874 4.350 0.002 0.000 0.271 181 T C 0.749 175.445 174.700 -0.006 0.000 1.012 181 T CA 0.503 62.599 62.100 -0.006 0.000 0.899 181 T CB 0.358 69.223 68.868 -0.006 0.000 1.089 181 T HN 0.824 nan 8.240 nan 0.000 0.552 182 G N 0.378 109.174 108.800 -0.006 0.000 2.462 182 G HA2 0.589 4.550 3.960 0.002 0.000 0.319 182 G HA3 0.589 4.550 3.960 0.002 0.000 0.319 182 G C 0.408 175.305 174.900 -0.006 0.000 1.171 182 G CA -0.995 44.101 45.100 -0.007 0.000 0.920 182 G HN 0.372 nan 8.290 nan 0.000 0.499 183 L N -0.388 120.831 121.223 -0.006 0.000 2.567 183 L HA 0.200 4.541 4.340 0.002 0.000 0.225 183 L C 0.428 177.294 176.870 -0.007 0.000 1.119 183 L CA 0.168 55.004 54.840 -0.006 0.000 0.871 183 L CB -0.260 41.796 42.059 -0.006 0.000 1.036 183 L HN 0.608 nan 8.230 nan 0.000 0.459 184 Q N -1.889 117.907 119.800 -0.007 0.000 2.756 184 Q HA 0.403 4.745 4.340 0.002 0.000 0.295 184 Q C -1.806 174.189 176.000 -0.009 0.000 0.903 184 Q CA -0.978 54.820 55.803 -0.008 0.000 0.768 184 Q CB 0.520 29.253 28.738 -0.008 0.000 1.472 184 Q HN -0.072 nan 8.270 nan 0.000 0.416 185 D N -0.323 120.071 120.400 -0.010 0.000 2.269 185 D HA 0.571 5.212 4.640 0.002 0.000 0.244 185 D C -1.084 175.209 176.300 -0.011 0.000 0.992 185 D CA -0.754 53.240 54.000 -0.010 0.000 0.894 185 D CB 1.915 42.709 40.800 -0.012 0.000 1.248 185 D HN 0.590 nan 8.370 nan 0.000 0.468 186 E N 1.301 121.494 120.200 -0.011 0.000 2.199 186 E HA 0.354 4.706 4.350 0.002 0.000 0.265 186 E C -1.475 175.117 176.600 -0.013 0.000 0.882 186 E CA -1.041 55.352 56.400 -0.012 0.000 0.759 186 E CB 1.312 31.005 29.700 -0.012 0.000 1.148 186 E HN 0.325 nan 8.360 nan 0.000 0.412 187 L N 4.540 125.755 121.223 -0.013 0.000 2.369 187 L HA 0.364 4.705 4.340 0.002 0.000 0.279 187 L C -0.857 176.005 176.870 -0.014 0.000 1.108 187 L CA 0.469 55.300 54.840 -0.014 0.000 0.852 187 L CB 0.797 42.847 42.059 -0.014 0.000 1.169 187 L HN 0.527 nan 8.230 nan 0.000 0.452 188 D N 3.397 123.788 120.400 -0.014 0.000 2.419 188 D HA 0.704 5.345 4.640 0.002 0.000 0.234 188 D C -1.521 174.770 176.300 -0.015 0.000 1.014 188 D CA -0.203 53.788 54.000 -0.015 0.000 0.919 188 D CB 2.331 43.122 40.800 -0.016 0.000 1.366 188 D HN 0.305 nan 8.370 nan 0.000 0.490 189 V N 1.464 121.369 119.914 -0.015 0.000 2.777 189 V HA 0.379 4.500 4.120 0.002 0.000 0.306 189 V C -0.579 175.505 176.094 -0.017 0.000 1.112 189 V CA -0.868 61.423 62.300 -0.014 0.000 0.917 189 V CB 2.020 33.836 31.823 -0.012 0.000 1.018 189 V HN 0.406 nan 8.190 nan 0.000 0.426 190 V N 3.758 123.662 119.914 -0.017 0.000 2.384 190 V HA 0.468 4.589 4.120 0.002 0.000 0.287 190 V C 0.008 176.094 176.094 -0.015 0.000 1.020 190 V CA -0.555 61.733 62.300 -0.020 0.000 0.850 190 V CB 1.627 33.433 31.823 -0.028 0.000 0.987 190 V HN 0.916 nan 8.190 nan 0.000 0.436 191 E N 2.816 123.007 120.200 -0.014 0.000 2.242 191 E HA 0.682 5.033 4.350 0.002 0.000 0.275 191 E C 0.455 177.051 176.600 -0.007 0.000 1.002 191 E CA 0.132 56.527 56.400 -0.008 0.000 0.841 191 E CB 1.974 31.669 29.700 -0.008 0.000 1.109 191 E HN 1.040 nan 8.360 nan 0.000 0.394 192 G N 1.656 110.457 108.800 0.001 0.000 2.710 192 G HA2 -0.256 3.705 3.960 0.002 0.000 0.668 192 G HA3 -0.256 3.705 3.960 0.002 0.000 0.668 192 G C -0.368 174.543 174.900 0.019 0.000 1.320 192 G CA -0.501 44.604 45.100 0.008 0.000 0.860 192 G HN 0.536 nan 8.290 nan 0.000 0.538 193 M N 1.419 121.043 119.600 0.039 0.000 2.618 193 M HA 0.295 4.777 4.480 0.002 0.000 0.322 193 M C 0.661 177.008 176.300 0.078 0.000 1.471 193 M CA -0.018 55.326 55.300 0.074 0.000 1.450 193 M CB -0.135 32.528 32.600 0.104 0.000 1.444 193 M HN 0.584 nan 8.290 nan 0.000 0.471 194 Q N 5.285 125.106 119.800 0.036 0.000 2.295 194 Q HA 0.361 4.702 4.340 0.002 0.000 0.259 194 Q C -1.478 174.566 176.000 0.074 0.000 0.976 194 Q CA -0.356 55.434 55.803 -0.020 0.000 0.923 194 Q CB 0.644 29.355 28.738 -0.045 0.000 1.185 194 Q HN 0.679 nan 8.270 nan 0.000 0.410 195 F N 0.839 120.778 119.950 -0.018 0.000 2.561 195 F HA 0.488 5.016 4.527 0.002 0.000 0.321 195 F C -0.660 175.125 175.800 -0.024 0.000 1.065 195 F CA -1.202 56.785 58.000 -0.022 0.000 0.934 195 F CB 1.222 40.209 39.000 -0.021 0.000 1.215 195 F HN 0.373 nan 8.300 nan 0.000 0.471 196 D N 1.404 121.924 120.400 0.200 0.000 2.881 196 D HA 0.249 4.890 4.640 0.002 0.000 0.240 196 D C -0.567 175.782 176.300 0.082 0.000 1.249 196 D CA 0.147 54.186 54.000 0.065 0.000 0.839 196 D CB -0.028 40.807 40.800 0.059 0.000 1.042 196 D HN 0.272 nan 8.370 nan 0.000 0.475 197 R N -0.176 120.384 120.500 0.100 0.000 2.628 197 R HA 0.740 5.081 4.340 0.002 0.000 0.288 197 R C 0.212 176.460 176.300 -0.087 0.000 0.980 197 R CA -0.655 55.492 56.100 0.078 0.000 0.891 197 R CB 1.929 32.384 30.300 0.258 0.000 1.188 197 R HN 0.145 nan 8.270 nan 0.000 0.450 198 G N 0.628 109.359 108.800 -0.116 0.000 2.938 198 G HA2 0.344 4.305 3.960 0.002 0.000 0.258 198 G HA3 0.344 4.305 3.960 0.002 0.000 0.258 198 G C -1.022 173.810 174.900 -0.113 0.000 1.356 198 G CA -0.636 44.338 45.100 -0.210 0.000 1.052 198 G HN 0.535 nan 8.290 nan 0.000 0.550 199 Y N -0.900 119.386 120.300 -0.024 0.000 2.683 199 Y HA 0.285 4.837 4.550 0.003 0.000 0.340 199 Y C 1.188 177.109 175.900 0.034 0.000 1.245 199 Y CA -0.794 57.312 58.100 0.010 0.000 1.485 199 Y CB 0.394 38.848 38.460 -0.009 0.000 1.328 199 Y HN 0.194 nan 8.280 nan 0.000 0.603 200 L N 1.729 123.128 121.223 0.293 0.000 2.478 200 L HA 0.068 4.409 4.340 0.002 0.000 0.223 200 L C 0.715 177.732 176.870 0.244 0.000 1.140 200 L CA 1.006 55.980 54.840 0.223 0.000 0.842 200 L CB -0.054 42.102 42.059 0.162 0.000 0.953 200 L HN 0.800 nan 8.230 nan 0.000 0.452 201 S N -1.538 114.321 115.700 0.266 0.000 2.543 201 S HA 0.364 4.835 4.470 0.002 0.000 0.273 201 S C -2.224 172.217 174.600 -0.265 0.000 1.152 201 S CA -0.930 57.330 58.200 0.100 0.000 0.910 201 S CB 1.709 64.996 63.200 0.146 0.000 1.105 201 S HN -0.181 nan 8.310 nan 0.000 0.465 202 P HA 0.078 nan 4.420 nan 0.000 0.236 202 P C 0.608 177.622 177.300 -0.478 0.000 1.177 202 P CA 0.427 63.050 63.100 -0.795 0.000 0.773 202 P CB -0.115 31.274 31.700 -0.517 0.000 0.878 203 Y N -1.276 118.945 120.300 -0.131 0.000 2.497 203 Y HA 0.003 4.554 4.550 0.003 0.000 0.292 203 Y C 2.053 177.978 175.900 0.041 0.000 1.137 203 Y CA 0.628 58.704 58.100 -0.040 0.000 1.285 203 Y CB -1.075 37.375 38.460 -0.017 0.000 0.991 203 Y HN -0.015 nan 8.280 nan 0.000 0.556 204 F N 0.145 120.066 119.950 -0.049 0.000 2.773 204 F HA 0.161 4.690 4.527 0.003 0.000 0.304 204 F C 0.293 176.030 175.800 -0.105 0.000 1.129 204 F CA -0.290 57.676 58.000 -0.058 0.000 1.378 204 F CB -0.011 38.965 39.000 -0.041 0.000 1.095 204 F HN -0.171 nan 8.300 nan 0.000 0.565 205 I N 3.321 123.845 120.570 -0.077 0.000 2.577 205 I HA -0.155 4.016 4.170 0.002 0.000 0.299 205 I C 1.148 177.270 176.117 0.008 0.000 1.157 205 I CA 0.106 61.340 61.300 -0.110 0.000 1.418 205 I CB -0.150 37.759 38.000 -0.152 0.000 1.467 205 I HN 0.305 nan 8.210 nan 0.000 0.624 206 N N 5.675 124.397 118.700 0.036 0.000 2.461 206 N HA -0.053 4.689 4.740 0.002 0.000 0.188 206 N C 0.051 175.582 175.510 0.035 0.000 1.134 206 N CA 0.227 53.328 53.050 0.085 0.000 0.878 206 N CB 0.426 39.011 38.487 0.163 0.000 0.972 206 N HN 0.344 nan 8.380 nan 0.000 0.456 207 K N 1.242 121.643 120.400 0.002 0.000 2.679 207 K HA 0.301 4.622 4.320 0.002 0.000 0.188 207 K C -2.102 174.494 176.600 -0.007 0.000 1.055 207 K CA -1.688 54.599 56.287 -0.002 0.000 1.006 207 K CB 1.952 34.445 32.500 -0.010 0.000 1.317 207 K HN -0.056 nan 8.250 nan 0.000 0.584 208 P HA -0.130 nan 4.420 nan 0.000 0.226 208 P C 0.457 177.755 177.300 -0.003 0.000 1.146 208 P CA 1.042 64.140 63.100 -0.002 0.000 0.773 208 P CB 0.471 32.177 31.700 0.009 0.000 0.772 209 E N -1.278 118.922 120.200 -0.001 0.000 2.208 209 E HA -0.097 4.254 4.350 0.002 0.000 0.193 209 E C 1.831 178.428 176.600 -0.004 0.000 0.988 209 E CA 1.755 58.154 56.400 -0.002 0.000 0.828 209 E CB -0.908 28.791 29.700 -0.001 0.000 0.763 209 E HN 0.407 nan 8.360 nan 0.000 0.478 210 T N -5.371 109.179 114.554 -0.007 0.000 3.058 210 T HA 0.374 4.726 4.350 0.002 0.000 0.247 210 T C 1.687 176.385 174.700 -0.004 0.000 0.987 210 T CA 0.345 62.440 62.100 -0.007 0.000 1.062 210 T CB 0.551 69.412 68.868 -0.012 0.000 1.048 210 T HN 0.226 nan 8.240 nan 0.000 0.468 211 G N 1.580 110.377 108.800 -0.006 0.000 2.159 211 G HA2 0.122 4.083 3.960 0.002 0.000 0.227 211 G HA3 0.122 4.083 3.960 0.002 0.000 0.227 211 G C 0.198 175.112 174.900 0.025 0.000 0.986 211 G CA -0.065 45.041 45.100 0.009 0.000 0.651 211 G HN 1.157 nan 8.290 nan 0.000 0.523 212 A N -0.362 122.451 122.820 -0.012 0.000 2.293 212 A HA 0.812 5.134 4.320 0.002 0.000 0.302 212 A C 0.225 177.747 177.584 -0.103 0.000 1.119 212 A CA -0.124 51.895 52.037 -0.030 0.000 0.823 212 A CB 1.532 20.506 19.000 -0.043 0.000 1.097 212 A HN 1.114 nan 8.150 nan 0.000 0.491 213 V N 2.329 122.147 119.914 -0.161 0.000 2.370 213 V HA 0.265 4.386 4.120 0.002 0.000 0.283 213 V C -0.058 175.805 176.094 -0.385 0.000 1.023 213 V CA -0.386 61.673 62.300 -0.400 0.000 0.857 213 V CB 1.154 32.684 31.823 -0.489 0.000 0.985 213 V HN 0.944 nan 8.190 nan 0.000 0.443 214 E N 5.170 125.134 120.200 -0.393 0.000 2.109 214 E HA 0.455 4.806 4.350 0.002 0.000 0.278 214 E C -1.029 175.482 176.600 -0.148 0.000 0.954 214 E CA -0.440 55.842 56.400 -0.197 0.000 0.779 214 E CB 1.805 31.463 29.700 -0.070 0.000 1.093 214 E HN 0.523 nan 8.360 nan 0.000 0.401 215 L N 3.660 124.839 121.223 -0.072 0.000 2.371 215 L HA 0.211 4.552 4.340 0.002 0.000 0.262 215 L C 0.068 176.960 176.870 0.037 0.000 1.054 215 L CA -0.625 54.246 54.840 0.052 0.000 0.924 215 L CB 0.555 42.646 42.059 0.053 0.000 1.295 215 L HN 0.456 nan 8.230 nan 0.000 0.441 216 E N 1.571 121.800 120.200 0.049 0.000 2.413 216 E HA -0.041 4.310 4.350 0.002 0.000 0.263 216 E C 0.559 177.160 176.600 0.002 0.000 1.015 216 E CA 0.201 56.613 56.400 0.020 0.000 0.916 216 E CB 0.949 30.663 29.700 0.024 0.000 0.947 216 E HN 0.354 nan 8.360 nan 0.000 0.440 217 S N 5.830 121.517 115.700 -0.022 0.000 3.502 217 S HA -0.086 4.385 4.470 0.002 0.000 0.324 217 S C -2.131 172.414 174.600 -0.092 0.000 0.612 217 S CA -0.312 57.858 58.200 -0.049 0.000 1.910 217 S CB -0.583 62.580 63.200 -0.062 0.000 1.166 217 S HN 0.362 nan 8.310 nan 0.000 0.543 218 P HA 0.456 nan 4.420 nan 0.000 0.287 218 P C -0.383 176.866 177.300 -0.085 0.000 1.296 218 P CA -0.836 62.244 63.100 -0.033 0.000 0.811 218 P CB 0.526 32.270 31.700 0.073 0.000 1.211 219 F N -0.591 119.388 119.950 0.049 0.000 2.379 219 F HA 0.459 4.988 4.527 0.002 0.000 0.332 219 F C 0.728 176.561 175.800 0.055 0.000 1.096 219 F CA -0.355 57.671 58.000 0.044 0.000 1.105 219 F CB 0.567 39.588 39.000 0.035 0.000 1.189 219 F HN 0.002 nan 8.300 nan 0.000 0.515 220 I N 4.136 124.875 120.570 0.281 0.000 2.478 220 I HA 0.294 4.465 4.170 0.002 0.000 0.287 220 I C -1.387 174.799 176.117 0.113 0.000 1.042 220 I CA -0.844 60.558 61.300 0.171 0.000 1.067 220 I CB 1.978 40.066 38.000 0.146 0.000 1.233 220 I HN 0.259 nan 8.210 nan 0.000 0.431 221 L N 7.781 129.054 121.223 0.083 0.000 2.317 221 L HA 0.637 4.978 4.340 0.002 0.000 0.281 221 L C -1.185 175.708 176.870 0.038 0.000 1.024 221 L CA -0.229 54.635 54.840 0.040 0.000 0.810 221 L CB 1.419 43.492 42.059 0.025 0.000 1.240 221 L HN 0.447 nan 8.230 nan 0.000 0.427 222 L N 5.520 126.753 121.223 0.017 0.000 2.343 222 L HA 0.803 5.145 4.340 0.002 0.000 0.278 222 L C -0.523 176.345 176.870 -0.004 0.000 0.996 222 L CA -0.665 54.177 54.840 0.003 0.000 0.831 222 L CB 1.680 43.734 42.059 -0.009 0.000 1.232 222 L HN 0.761 nan 8.230 nan 0.000 0.413 223 A N 1.306 124.124 122.820 -0.003 0.000 2.340 223 A HA 0.335 4.657 4.320 0.002 0.000 0.297 223 A C 0.121 177.700 177.584 -0.008 0.000 1.195 223 A CA -0.468 51.567 52.037 -0.002 0.000 0.769 223 A CB 1.099 20.104 19.000 0.008 0.000 1.163 223 A HN 0.778 nan 8.150 nan 0.000 0.472 224 D N 1.456 121.848 120.400 -0.012 0.000 2.312 224 D HA -0.035 4.607 4.640 0.002 0.000 0.211 224 D C 0.671 176.968 176.300 -0.006 0.000 0.964 224 D CA 1.378 55.369 54.000 -0.016 0.000 0.877 224 D CB 0.196 40.986 40.800 -0.017 0.000 0.924 224 D HN 0.550 nan 8.370 nan 0.000 0.515 225 K N -0.038 120.363 120.400 0.001 0.000 2.221 225 K HA 0.306 4.627 4.320 0.002 0.000 0.243 225 K C -0.509 176.099 176.600 0.013 0.000 0.968 225 K CA -1.020 55.272 56.287 0.008 0.000 0.846 225 K CB 0.555 33.059 32.500 0.007 0.000 1.141 225 K HN -0.122 nan 8.250 nan 0.000 0.434 226 K N 1.608 122.019 120.400 0.018 0.000 2.355 226 K HA 0.229 4.550 4.320 0.002 0.000 0.270 226 K C -0.562 176.051 176.600 0.022 0.000 1.003 226 K CA -0.124 56.177 56.287 0.023 0.000 0.957 226 K CB 0.150 32.666 32.500 0.027 0.000 0.939 226 K HN 0.606 nan 8.250 nan 0.000 0.482 227 I N 1.732 122.317 120.570 0.026 0.000 2.441 227 I HA 0.058 4.229 4.170 0.002 0.000 0.295 227 I C 0.596 176.729 176.117 0.026 0.000 0.994 227 I CA -0.474 60.840 61.300 0.024 0.000 1.144 227 I CB 1.951 39.967 38.000 0.026 0.000 1.314 227 I HN 0.861 nan 8.210 nan 0.000 0.445 228 S N 4.097 119.809 115.700 0.021 0.000 2.666 228 S HA 0.334 4.805 4.470 0.002 0.000 0.239 228 S C -0.127 174.483 174.600 0.018 0.000 1.031 228 S CA -0.163 58.049 58.200 0.021 0.000 1.015 228 S CB -0.060 63.151 63.200 0.019 0.000 0.981 228 S HN 0.786 nan 8.310 nan 0.000 0.547 229 N N 0.386 119.095 118.700 0.015 0.000 2.369 229 N HA 0.399 5.140 4.740 0.002 0.000 0.287 229 N C -0.340 175.175 175.510 0.009 0.000 1.067 229 N CA -0.477 52.579 53.050 0.011 0.000 0.888 229 N CB 1.565 40.057 38.487 0.008 0.000 1.616 229 N HN -0.021 nan 8.380 nan 0.000 0.482 230 I N 1.892 122.467 120.570 0.007 0.000 2.916 230 I HA -0.019 4.153 4.170 0.002 0.000 0.267 230 I C 2.339 178.457 176.117 0.001 0.000 1.263 230 I CA 0.794 62.097 61.300 0.005 0.000 1.471 230 I CB -0.315 37.686 38.000 0.003 0.000 1.089 230 I HN 0.583 nan 8.210 nan 0.000 0.468 231 R N 1.108 121.608 120.500 0.001 0.000 2.189 231 R HA -0.275 4.067 4.340 0.002 0.000 0.252 231 R C 1.357 177.656 176.300 -0.002 0.000 1.134 231 R CA 2.372 58.472 56.100 -0.001 0.000 0.954 231 R CB -0.420 29.881 30.300 0.001 0.000 0.890 231 R HN 0.472 nan 8.270 nan 0.000 0.443 232 E N -1.157 119.043 120.200 0.000 0.000 2.403 232 E HA -0.010 4.342 4.350 0.002 0.000 0.187 232 E C 0.741 177.340 176.600 -0.002 0.000 1.073 232 E CA -0.084 56.316 56.400 -0.001 0.000 0.888 232 E CB 0.495 30.197 29.700 0.003 0.000 1.035 232 E HN 0.360 nan 8.360 nan 0.000 0.471 233 M N -1.293 118.305 119.600 -0.003 0.000 1.905 233 M HA 0.094 4.576 4.480 0.002 0.000 0.222 233 M C 1.706 178.001 176.300 -0.010 0.000 1.280 233 M CA 0.256 55.553 55.300 -0.004 0.000 0.985 233 M CB -0.256 32.346 32.600 0.003 0.000 1.689 233 M HN 0.131 nan 8.290 nan 0.000 0.600 234 L N 1.049 122.267 121.223 -0.009 0.000 2.021 234 L HA -0.225 4.116 4.340 0.002 0.000 0.215 234 L C -0.642 176.219 176.870 -0.015 0.000 1.074 234 L CA 2.031 56.865 54.840 -0.011 0.000 0.760 234 L CB -1.900 40.153 42.059 -0.009 0.000 0.889 234 L HN 0.173 nan 8.230 nan 0.000 0.433 235 P HA -0.142 nan 4.420 nan 0.000 0.215 235 P C 1.814 179.094 177.300 -0.033 0.000 1.153 235 P CA 1.232 64.318 63.100 -0.023 0.000 0.853 235 P CB 0.020 31.706 31.700 -0.023 0.000 0.788 236 V N -0.794 119.097 119.914 -0.038 0.000 2.379 236 V HA -0.182 3.940 4.120 0.002 0.000 0.245 236 V C 2.454 178.520 176.094 -0.045 0.000 1.044 236 V CA 1.289 63.554 62.300 -0.058 0.000 1.036 236 V CB -1.285 30.503 31.823 -0.057 0.000 0.664 236 V HN 0.067 nan 8.190 nan 0.000 0.453 237 L N 0.096 121.304 121.223 -0.024 0.000 1.970 237 L HA -0.233 4.108 4.340 0.002 0.000 0.212 237 L C 2.774 179.639 176.870 -0.008 0.000 1.071 237 L CA 2.298 57.131 54.840 -0.011 0.000 0.751 237 L CB -0.269 41.785 42.059 -0.009 0.000 0.889 237 L HN 0.404 nan 8.230 nan 0.000 0.432 238 E N -0.059 120.133 120.200 -0.012 0.000 2.110 238 E HA -0.199 4.152 4.350 0.002 0.000 0.193 238 E C 1.934 178.531 176.600 -0.005 0.000 0.988 238 E CA 1.454 57.849 56.400 -0.008 0.000 0.804 238 E CB -0.121 29.573 29.700 -0.010 0.000 0.745 238 E HN 0.469 nan 8.360 nan 0.000 0.458 239 A N -0.043 122.766 122.820 -0.019 0.000 1.933 239 A HA -0.134 4.187 4.320 0.002 0.000 0.218 239 A C 2.454 180.036 177.584 -0.003 0.000 1.175 239 A CA 1.672 53.695 52.037 -0.024 0.000 0.628 239 A CB -0.632 18.332 19.000 -0.059 0.000 0.814 239 A HN 0.211 nan 8.150 nan 0.000 0.444 240 V N -0.445 119.469 119.914 -0.000 0.000 2.488 240 V HA -0.134 3.987 4.120 0.002 0.000 0.246 240 V C 2.992 179.149 176.094 0.105 0.000 1.046 240 V CA 1.529 63.882 62.300 0.089 0.000 1.053 240 V CB -1.011 30.868 31.823 0.093 0.000 0.679 240 V HN 0.605 nan 8.190 nan 0.000 0.458 241 A N 0.112 122.963 122.820 0.051 0.000 1.877 241 A HA -0.243 4.079 4.320 0.002 0.000 0.216 241 A C 2.249 179.855 177.584 0.037 0.000 1.186 241 A CA 1.917 53.975 52.037 0.034 0.000 0.620 241 A CB -0.421 18.585 19.000 0.010 0.000 0.822 241 A HN 0.527 nan 8.150 nan 0.000 0.443 242 K N -0.409 120.012 120.400 0.035 0.000 2.362 242 K HA 0.057 4.378 4.320 0.002 0.000 0.200 242 K C 1.882 178.515 176.600 0.056 0.000 1.046 242 K CA 0.790 57.098 56.287 0.035 0.000 0.952 242 K CB -0.182 32.332 32.500 0.023 0.000 0.753 242 K HN 0.456 nan 8.250 nan 0.000 0.466 243 A N 0.345 123.221 122.820 0.093 0.000 2.169 243 A HA 0.166 4.487 4.320 0.002 0.000 0.212 243 A C 1.631 179.274 177.584 0.097 0.000 1.153 243 A CA 0.921 53.039 52.037 0.135 0.000 0.756 243 A CB -0.268 18.905 19.000 0.288 0.000 0.813 243 A HN 0.383 nan 8.150 nan 0.000 0.471 244 G N -0.721 108.124 108.800 0.076 0.000 2.184 244 G HA2 -0.297 3.664 3.960 0.002 0.000 0.264 244 G HA3 -0.297 3.664 3.960 0.002 0.000 0.264 244 G C 0.318 175.238 174.900 0.034 0.000 0.975 244 G CA 0.776 45.901 45.100 0.042 0.000 0.642 244 G HN 0.592 nan 8.290 nan 0.000 0.536 245 K N 1.221 121.651 120.400 0.051 0.000 2.185 245 K HA 0.473 4.795 4.320 0.002 0.000 0.271 245 K C -2.160 174.485 176.600 0.074 0.000 1.013 245 K CA -1.742 54.551 56.287 0.010 0.000 0.943 245 K CB 0.789 33.205 32.500 -0.140 0.000 0.998 245 K HN 0.040 nan 8.250 nan 0.000 0.468 246 P HA -0.014 nan 4.420 nan 0.000 0.269 246 P C -1.207 176.187 177.300 0.158 0.000 1.215 246 P CA -0.343 62.825 63.100 0.113 0.000 0.780 246 P CB 0.446 32.247 31.700 0.169 0.000 0.898 247 L N 2.852 124.171 121.223 0.160 0.000 2.365 247 L HA 0.602 4.943 4.340 0.002 0.000 0.273 247 L C -1.429 175.556 176.870 0.191 0.000 1.000 247 L CA -0.862 54.085 54.840 0.178 0.000 0.819 247 L CB 1.596 43.732 42.059 0.128 0.000 1.284 247 L HN 0.141 nan 8.230 nan 0.000 0.418 248 L N 5.688 127.023 121.223 0.186 0.000 2.333 248 L HA 0.627 4.969 4.340 0.002 0.000 0.280 248 L C -1.126 175.832 176.870 0.146 0.000 1.004 248 L CA -0.114 54.836 54.840 0.182 0.000 0.820 248 L CB 1.340 43.507 42.059 0.179 0.000 1.247 248 L HN 0.518 nan 8.230 nan 0.000 0.416 249 I N 6.707 127.358 120.570 0.135 0.000 2.291 249 I HA 0.293 4.464 4.170 0.002 0.000 0.290 249 I C -0.079 176.109 176.117 0.118 0.000 1.050 249 I CA 0.185 61.548 61.300 0.105 0.000 1.245 249 I CB 0.603 38.654 38.000 0.084 0.000 1.405 249 I HN 0.430 nan 8.210 nan 0.000 0.478 250 I N 6.653 127.285 120.570 0.104 0.000 2.256 250 I HA 0.461 4.632 4.170 0.002 0.000 0.294 250 I C 0.642 176.782 176.117 0.038 0.000 1.127 250 I CA -0.175 61.179 61.300 0.090 0.000 1.247 250 I CB 0.155 38.192 38.000 0.062 0.000 1.460 250 I HN 0.623 nan 8.210 nan 0.000 0.511 251 A N 4.517 127.367 122.820 0.049 0.000 2.269 251 A HA 0.318 4.640 4.320 0.002 0.000 0.327 251 A C 1.326 178.923 177.584 0.020 0.000 1.112 251 A CA -0.507 51.547 52.037 0.029 0.000 0.865 251 A CB 0.852 19.876 19.000 0.039 0.000 1.227 251 A HN 0.758 nan 8.150 nan 0.000 0.498 252 E N -0.548 119.660 120.200 0.012 0.000 2.086 252 E HA -0.227 4.124 4.350 0.002 0.000 0.200 252 E C -0.188 176.435 176.600 0.039 0.000 1.012 252 E CA 1.965 58.376 56.400 0.019 0.000 0.812 252 E CB 0.101 29.812 29.700 0.018 0.000 0.743 252 E HN 0.644 nan 8.360 nan 0.000 0.453 253 D N -2.002 118.424 120.400 0.042 0.000 2.683 253 D HA 0.260 4.902 4.640 0.002 0.000 0.246 253 D C -1.946 174.385 176.300 0.051 0.000 1.238 253 D CA -0.496 53.535 54.000 0.052 0.000 0.759 253 D CB 2.118 42.947 40.800 0.047 0.000 1.349 253 D HN -0.077 nan 8.370 nan 0.000 0.426 254 V N 2.387 122.336 119.914 0.059 0.000 2.668 254 V HA 0.625 4.747 4.120 0.002 0.000 0.304 254 V C -0.182 175.946 176.094 0.058 0.000 1.071 254 V CA -0.657 61.677 62.300 0.056 0.000 0.894 254 V CB 1.675 33.538 31.823 0.065 0.000 1.008 254 V HN 0.675 nan 8.190 nan 0.000 0.425 255 E N 3.028 123.256 120.200 0.047 0.000 2.408 255 E HA 0.774 5.126 4.350 0.002 0.000 0.266 255 E C 0.326 176.948 176.600 0.037 0.000 1.025 255 E CA -0.333 56.094 56.400 0.046 0.000 0.881 255 E CB 1.636 31.362 29.700 0.043 0.000 1.660 255 E HN 1.363 nan 8.360 nan 0.000 0.458 256 G N 1.200 110.021 108.800 0.034 0.000 2.552 256 G HA2 -0.403 3.558 3.960 0.002 0.000 0.265 256 G HA3 -0.403 3.558 3.960 0.002 0.000 0.265 256 G C 0.622 175.537 174.900 0.025 0.000 1.234 256 G CA 0.955 46.071 45.100 0.027 0.000 0.944 256 G HN 0.851 nan 8.290 nan 0.000 0.568 257 E N 0.376 120.587 120.200 0.018 0.000 2.338 257 E HA 0.333 4.684 4.350 0.002 0.000 0.197 257 E C 2.558 179.167 176.600 0.015 0.000 1.007 257 E CA 2.313 58.721 56.400 0.013 0.000 0.849 257 E CB -0.606 29.098 29.700 0.008 0.000 0.774 257 E HN 1.328 nan 8.360 nan 0.000 0.506 258 A N 1.191 124.023 122.820 0.019 0.000 1.877 258 A HA -0.080 4.242 4.320 0.002 0.000 0.216 258 A C 2.166 179.768 177.584 0.030 0.000 1.186 258 A CA 1.448 53.498 52.037 0.022 0.000 0.620 258 A CB -0.768 18.247 19.000 0.025 0.000 0.822 258 A HN 0.318 nan 8.150 nan 0.000 0.443 259 L N -0.257 120.990 121.223 0.040 0.000 2.056 259 L HA -0.020 4.321 4.340 0.002 0.000 0.207 259 L C 2.683 179.580 176.870 0.046 0.000 1.078 259 L CA 2.091 56.963 54.840 0.054 0.000 0.749 259 L CB -0.868 41.232 42.059 0.067 0.000 0.901 259 L HN 0.360 nan 8.230 nan 0.000 0.433 260 A N -0.863 121.977 122.820 0.033 0.000 1.865 260 A HA -0.275 4.047 4.320 0.002 0.000 0.217 260 A C 2.360 179.945 177.584 0.000 0.000 1.191 260 A CA 2.918 54.966 52.037 0.018 0.000 0.623 260 A CB -1.499 17.508 19.000 0.012 0.000 0.826 260 A HN 0.618 nan 8.150 nan 0.000 0.444 261 T N -1.029 113.524 114.554 -0.001 0.000 2.746 261 T HA -0.117 4.235 4.350 0.002 0.000 0.267 261 T C 1.850 176.539 174.700 -0.019 0.000 1.039 261 T CA 1.504 63.596 62.100 -0.013 0.000 1.142 261 T CB -0.700 68.163 68.868 -0.009 0.000 0.866 261 T HN 0.285 nan 8.240 nan 0.000 0.444 262 L N 0.622 121.842 121.223 -0.006 0.000 2.042 262 L HA -0.083 4.258 4.340 0.002 0.000 0.210 262 L C 2.993 179.845 176.870 -0.030 0.000 1.076 262 L CA 1.034 55.866 54.840 -0.013 0.000 0.749 262 L CB -0.745 41.327 42.059 0.021 0.000 0.893 262 L HN 0.172 nan 8.230 nan 0.000 0.432 263 V N -0.806 119.109 119.914 0.002 0.000 2.295 263 V HA -0.241 3.880 4.120 0.002 0.000 0.246 263 V C 2.372 178.433 176.094 -0.054 0.000 1.049 263 V CA 1.558 63.863 62.300 0.009 0.000 1.024 263 V CB -0.148 31.713 31.823 0.062 0.000 0.648 263 V HN 0.192 nan 8.190 nan 0.000 0.447 264 V N 0.344 120.220 119.914 -0.064 0.000 2.358 264 V HA -0.214 3.907 4.120 0.002 0.000 0.246 264 V C 2.261 178.306 176.094 -0.082 0.000 1.047 264 V CA 1.944 64.194 62.300 -0.085 0.000 1.035 264 V CB -0.825 30.957 31.823 -0.069 0.000 0.658 264 V HN 0.579 nan 8.190 nan 0.000 0.452 265 N N -0.025 118.629 118.700 -0.076 0.000 2.223 265 N HA -0.141 4.600 4.740 0.002 0.000 0.185 265 N C 1.828 177.265 175.510 -0.121 0.000 1.016 265 N CA 1.938 54.938 53.050 -0.084 0.000 0.863 265 N CB -0.109 38.334 38.487 -0.074 0.000 0.983 265 N HN 0.496 nan 8.380 nan 0.000 0.429 266 T N 1.628 116.087 114.554 -0.159 0.000 2.668 266 T HA -0.050 4.301 4.350 0.002 0.000 0.258 266 T C 1.984 176.607 174.700 -0.130 0.000 1.051 266 T CA 0.644 62.607 62.100 -0.229 0.000 1.155 266 T CB -0.149 68.512 68.868 -0.345 0.000 0.864 266 T HN 0.171 nan 8.240 nan 0.000 0.413 267 M N 0.888 120.433 119.600 -0.091 0.000 2.082 267 M HA -0.160 4.322 4.480 0.002 0.000 0.258 267 M C 2.326 178.585 176.300 -0.068 0.000 1.069 267 M CA 1.695 56.952 55.300 -0.073 0.000 1.102 267 M CB -0.077 32.434 32.600 -0.147 0.000 1.336 267 M HN -0.021 nan 8.290 nan 0.000 0.404 268 R N 0.418 120.872 120.500 -0.076 0.000 2.237 268 R HA -0.004 4.337 4.340 0.002 0.000 0.219 268 R C 1.112 177.382 176.300 -0.049 0.000 1.080 268 R CA 1.377 57.441 56.100 -0.060 0.000 0.995 268 R CB -0.822 29.442 30.300 -0.060 0.000 0.875 268 R HN 0.681 nan 8.270 nan 0.000 0.462 269 G N -0.666 108.100 108.800 -0.056 0.000 2.141 269 G HA2 -0.208 3.754 3.960 0.002 0.000 0.242 269 G HA3 -0.208 3.754 3.960 0.002 0.000 0.242 269 G C 0.615 175.486 174.900 -0.049 0.000 0.982 269 G CA 0.299 45.371 45.100 -0.047 0.000 0.662 269 G HN 0.213 nan 8.290 nan 0.000 0.527 270 I N 0.026 120.561 120.570 -0.058 0.000 2.163 270 I HA 0.093 4.264 4.170 0.002 0.000 0.240 270 I C 1.508 177.592 176.117 -0.055 0.000 1.081 270 I CA 2.328 63.598 61.300 -0.050 0.000 1.353 270 I CB -1.310 36.661 38.000 -0.048 0.000 1.054 270 I HN 0.733 nan 8.210 nan 0.000 0.407 271 V N -1.906 117.956 119.914 -0.087 0.000 2.852 271 V HA 0.396 4.517 4.120 0.002 0.000 0.300 271 V C -0.385 175.584 176.094 -0.209 0.000 1.205 271 V CA -1.386 60.853 62.300 -0.101 0.000 0.940 271 V CB 1.713 33.497 31.823 -0.066 0.000 1.047 271 V HN 0.069 nan 8.190 nan 0.000 0.429 272 K N 3.036 123.287 120.400 -0.249 0.000 2.294 272 K HA 0.526 4.848 4.320 0.002 0.000 0.288 272 K C -0.307 175.921 176.600 -0.620 0.000 1.072 272 K CA 0.041 55.978 56.287 -0.583 0.000 0.960 272 K CB 0.933 33.300 32.500 -0.221 0.000 1.043 272 K HN 0.998 nan 8.250 nan 0.000 0.455 273 V N -0.294 119.130 119.914 -0.815 0.000 2.760 273 V HA 0.828 4.949 4.120 0.002 0.000 0.309 273 V C -0.716 175.350 176.094 -0.047 0.000 1.077 273 V CA -1.065 61.083 62.300 -0.253 0.000 0.910 273 V CB 1.760 33.519 31.823 -0.106 0.000 1.008 273 V HN 0.616 nan 8.190 nan 0.000 0.424 274 A N 3.261 126.271 122.820 0.316 0.000 2.356 274 A HA 1.082 5.404 4.320 0.002 0.000 0.323 274 A C 0.014 177.735 177.584 0.229 0.000 1.119 274 A CA -0.285 51.995 52.037 0.405 0.000 0.790 274 A CB 1.780 21.040 19.000 0.434 0.000 1.273 274 A HN 2.451 nan 8.150 nan 0.000 0.452 275 A N 0.185 123.131 122.820 0.209 0.000 2.454 275 A HA 0.815 5.136 4.320 0.002 0.000 0.302 275 A C -0.518 177.171 177.584 0.176 0.000 1.079 275 A CA -0.046 52.090 52.037 0.165 0.000 0.731 275 A CB 1.410 20.487 19.000 0.129 0.000 1.299 275 A HN 2.282 nan 8.150 nan 0.000 0.413 276 V N -1.140 118.872 119.914 0.164 0.000 3.007 276 V HA 0.652 4.773 4.120 0.002 0.000 0.311 276 V C -0.524 175.654 176.094 0.140 0.000 1.120 276 V CA -1.208 61.192 62.300 0.167 0.000 0.980 276 V CB 1.624 33.578 31.823 0.218 0.000 1.033 276 V HN 0.891 nan 8.190 nan 0.000 0.429 277 K N 1.848 122.323 120.400 0.124 0.000 2.168 277 K HA 0.695 5.017 4.320 0.002 0.000 0.258 277 K C 0.285 176.954 176.600 0.114 0.000 1.010 277 K CA 0.162 56.510 56.287 0.101 0.000 0.929 277 K CB 1.307 33.857 32.500 0.084 0.000 0.998 277 K HN 1.093 nan 8.250 nan 0.000 0.479 278 A N 2.794 125.652 122.820 0.062 0.000 2.322 278 A HA 0.332 4.654 4.320 0.002 0.000 0.269 278 A C -2.096 175.506 177.584 0.029 0.000 1.094 278 A CA -1.329 50.711 52.037 0.004 0.000 0.807 278 A CB -0.262 18.712 19.000 -0.043 0.000 1.047 278 A HN 0.468 nan 8.150 nan 0.000 0.487 279 P HA 0.436 nan 4.420 nan 0.000 0.275 279 P C 0.575 177.833 177.300 -0.070 0.000 1.228 279 P CA 1.342 64.446 63.100 0.007 0.000 0.786 279 P CB 0.716 32.426 31.700 0.017 0.000 0.927 280 G N 1.501 110.244 108.800 -0.095 0.000 2.741 280 G HA2 0.011 3.973 3.960 0.002 0.000 0.222 280 G HA3 0.011 3.973 3.960 0.002 0.000 0.222 280 G C -0.970 173.838 174.900 -0.152 0.000 1.364 280 G CA -0.145 44.765 45.100 -0.317 0.000 0.866 280 G HN 0.707 nan 8.290 nan 0.000 0.555 281 F N -2.670 117.286 119.950 0.010 0.000 2.654 281 F HA 0.792 5.321 4.527 0.003 0.000 0.308 281 F C 0.834 176.640 175.800 0.010 0.000 1.108 281 F CA -0.087 57.920 58.000 0.012 0.000 0.957 281 F CB 0.862 39.876 39.000 0.023 0.000 1.309 281 F HN 2.481 nan 8.300 nan 0.000 0.446 282 G N 1.176 110.122 108.800 0.244 0.000 2.641 282 G HA2 -0.254 3.708 3.960 0.002 0.000 0.254 282 G HA3 -0.254 3.708 3.960 0.002 0.000 0.254 282 G C 0.172 175.093 174.900 0.035 0.000 1.315 282 G CA 0.308 45.486 45.100 0.130 0.000 0.907 282 G HN 0.952 nan 8.290 nan 0.000 0.572 283 D N 0.098 120.504 120.400 0.010 0.000 2.378 283 D HA -0.059 4.583 4.640 0.002 0.000 0.222 283 D C 2.244 178.505 176.300 -0.064 0.000 0.980 283 D CA 0.712 54.698 54.000 -0.024 0.000 0.907 283 D CB -0.008 40.781 40.800 -0.019 0.000 0.899 283 D HN 0.460 nan 8.370 nan 0.000 0.527 284 R N 1.141 121.582 120.500 -0.098 0.000 2.117 284 R HA -0.162 4.179 4.340 0.002 0.000 0.243 284 R C 2.284 178.490 176.300 -0.157 0.000 1.143 284 R CA 1.057 57.059 56.100 -0.164 0.000 0.968 284 R CB 0.028 30.161 30.300 -0.278 0.000 0.863 284 R HN 0.071 nan 8.270 nan 0.000 0.444 285 R N 0.701 121.125 120.500 -0.126 0.000 2.070 285 R HA -0.138 4.203 4.340 0.002 0.000 0.232 285 R C 2.002 178.245 176.300 -0.096 0.000 1.138 285 R CA 1.887 57.925 56.100 -0.103 0.000 0.936 285 R CB -0.044 30.227 30.300 -0.049 0.000 0.839 285 R HN 0.127 nan 8.270 nan 0.000 0.429 286 K N 0.022 120.381 120.400 -0.069 0.000 2.044 286 K HA -0.183 4.138 4.320 0.002 0.000 0.210 286 K C 2.146 178.701 176.600 -0.074 0.000 1.049 286 K CA 1.581 57.831 56.287 -0.061 0.000 0.927 286 K CB -0.291 32.184 32.500 -0.042 0.000 0.713 286 K HN 0.271 nan 8.250 nan 0.000 0.443 287 A N 1.624 124.396 122.820 -0.080 0.000 1.865 287 A HA -0.183 4.138 4.320 0.002 0.000 0.217 287 A C 2.212 179.740 177.584 -0.094 0.000 1.191 287 A CA 1.787 53.775 52.037 -0.081 0.000 0.623 287 A CB -0.519 18.429 19.000 -0.086 0.000 0.826 287 A HN 0.210 nan 8.150 nan 0.000 0.444 288 M N -1.449 118.078 119.600 -0.121 0.000 2.229 288 M HA -0.083 4.399 4.480 0.002 0.000 0.264 288 M C 2.149 178.343 176.300 -0.177 0.000 1.063 288 M CA 1.093 56.304 55.300 -0.148 0.000 1.114 288 M CB -0.334 32.157 32.600 -0.182 0.000 1.387 288 M HN 0.436 nan 8.290 nan 0.000 0.420 289 L N 0.488 121.611 121.223 -0.166 0.000 2.093 289 L HA -0.194 4.147 4.340 0.002 0.000 0.208 289 L C 2.441 179.251 176.870 -0.099 0.000 1.085 289 L CA 1.875 56.623 54.840 -0.153 0.000 0.755 289 L CB -0.587 41.400 42.059 -0.121 0.000 0.904 289 L HN 0.235 nan 8.230 nan 0.000 0.435 290 Q N -0.577 119.177 119.800 -0.078 0.000 2.172 290 Q HA -0.159 4.183 4.340 0.002 0.000 0.200 290 Q C 1.704 177.676 176.000 -0.048 0.000 0.964 290 Q CA 1.567 57.338 55.803 -0.053 0.000 0.855 290 Q CB -0.195 28.516 28.738 -0.045 0.000 0.918 290 Q HN 0.524 nan 8.270 nan 0.000 0.444 291 D N -0.015 120.350 120.400 -0.059 0.000 2.104 291 D HA -0.166 4.476 4.640 0.002 0.000 0.194 291 D C 1.822 178.101 176.300 -0.035 0.000 0.994 291 D CA 1.414 55.387 54.000 -0.046 0.000 0.830 291 D CB -0.219 40.550 40.800 -0.053 0.000 0.959 291 D HN 0.366 nan 8.370 nan 0.000 0.452 292 I N 1.285 121.822 120.570 -0.056 0.000 2.226 292 I HA -0.259 3.913 4.170 0.002 0.000 0.245 292 I C 2.530 178.641 176.117 -0.009 0.000 1.100 292 I CA 1.052 62.332 61.300 -0.033 0.000 1.374 292 I CB -0.248 37.702 38.000 -0.084 0.000 1.057 292 I HN -0.077 nan 8.210 nan 0.000 0.413 293 A N 0.380 123.188 122.820 -0.020 0.000 1.883 293 A HA -0.222 4.100 4.320 0.002 0.000 0.217 293 A C 2.378 179.965 177.584 0.005 0.000 1.186 293 A CA 2.609 54.644 52.037 -0.004 0.000 0.624 293 A CB -1.133 17.859 19.000 -0.014 0.000 0.822 293 A HN 0.406 nan 8.150 nan 0.000 0.444 294 T N -0.229 114.324 114.554 -0.002 0.000 2.985 294 T HA -0.027 4.324 4.350 0.002 0.000 0.266 294 T C 1.761 176.467 174.700 0.009 0.000 1.076 294 T CA 1.139 63.240 62.100 0.002 0.000 1.135 294 T CB -0.223 68.642 68.868 -0.005 0.000 0.890 294 T HN 0.297 nan 8.240 nan 0.000 0.480 295 L N 2.197 123.426 121.223 0.011 0.000 2.017 295 L HA -0.059 4.282 4.340 0.002 0.000 0.208 295 L C 2.546 179.432 176.870 0.028 0.000 1.073 295 L CA 2.082 56.933 54.840 0.019 0.000 0.745 295 L CB -1.037 41.037 42.059 0.025 0.000 0.894 295 L HN 0.363 nan 8.230 nan 0.000 0.432 296 T N -4.143 110.432 114.554 0.035 0.000 3.081 296 T HA 0.298 4.650 4.350 0.002 0.000 0.255 296 T C 1.469 176.200 174.700 0.051 0.000 1.113 296 T CA 0.377 62.506 62.100 0.048 0.000 1.082 296 T CB -0.150 68.756 68.868 0.063 0.000 0.939 296 T HN 0.653 nan 8.240 nan 0.000 0.506 297 G N 0.610 109.434 108.800 0.040 0.000 2.159 297 G HA2 -0.082 3.879 3.960 0.002 0.000 0.256 297 G HA3 -0.082 3.879 3.960 0.002 0.000 0.256 297 G C 0.524 175.450 174.900 0.043 0.000 0.977 297 G CA -0.018 45.106 45.100 0.040 0.000 0.652 297 G HN 0.987 nan 8.290 nan 0.000 0.531 298 G N -1.210 107.616 108.800 0.042 0.000 2.504 298 G HA2 0.632 4.593 3.960 0.002 0.000 0.257 298 G HA3 0.632 4.593 3.960 0.002 0.000 0.257 298 G C -0.149 174.759 174.900 0.015 0.000 1.451 298 G CA 0.610 45.732 45.100 0.036 0.000 1.059 298 G HN 0.767 nan 8.290 nan 0.000 0.550 299 T N -0.601 113.956 114.554 0.005 0.000 2.886 299 T HA 0.431 4.782 4.350 0.002 0.000 0.292 299 T C -0.489 174.206 174.700 -0.009 0.000 1.012 299 T CA -0.323 61.775 62.100 -0.005 0.000 0.982 299 T CB 1.962 70.824 68.868 -0.010 0.000 1.018 299 T HN 0.311 nan 8.240 nan 0.000 0.451 300 V N 3.923 123.829 119.914 -0.014 0.000 2.455 300 V HA 0.311 4.433 4.120 0.002 0.000 0.273 300 V C -0.136 175.949 176.094 -0.016 0.000 1.045 300 V CA -0.508 61.781 62.300 -0.018 0.000 0.976 300 V CB 0.341 32.148 31.823 -0.025 0.000 0.993 300 V HN 0.672 nan 8.190 nan 0.000 0.475 301 I N 4.782 125.343 120.570 -0.014 0.000 2.331 301 I HA 0.475 4.647 4.170 0.002 0.000 0.292 301 I C 0.341 176.451 176.117 -0.011 0.000 0.998 301 I CA 0.836 62.129 61.300 -0.012 0.000 1.267 301 I CB 1.589 39.582 38.000 -0.012 0.000 1.386 301 I HN 0.634 nan 8.210 nan 0.000 0.476 302 S N 3.585 119.279 115.700 -0.010 0.000 2.549 302 S HA 0.395 4.867 4.470 0.002 0.000 0.280 302 S C 0.711 175.307 174.600 -0.006 0.000 1.109 302 S CA -0.580 57.614 58.200 -0.008 0.000 0.905 302 S CB 1.181 64.375 63.200 -0.010 0.000 1.081 302 S HN 0.695 nan 8.310 nan 0.000 0.477 303 E N 1.515 121.713 120.200 -0.004 0.000 2.204 303 E HA -0.118 4.234 4.350 0.002 0.000 0.195 303 E C 0.918 177.516 176.600 -0.003 0.000 0.990 303 E CA 0.962 57.360 56.400 -0.003 0.000 0.821 303 E CB 0.064 29.764 29.700 -0.000 0.000 0.750 303 E HN 0.677 nan 8.360 nan 0.000 0.477 304 E N 0.494 120.692 120.200 -0.004 0.000 2.478 304 E HA -0.093 4.258 4.350 0.002 0.000 0.198 304 E C 1.719 178.316 176.600 -0.006 0.000 1.046 304 E CA 0.471 56.869 56.400 -0.004 0.000 0.870 304 E CB -0.066 29.632 29.700 -0.004 0.000 0.818 304 E HN 0.464 nan 8.360 nan 0.000 0.527 305 I N -4.101 116.465 120.570 -0.007 0.000 3.941 305 I HA 0.409 4.581 4.170 0.002 0.000 0.335 305 I C 0.888 177.001 176.117 -0.007 0.000 1.402 305 I CA -0.070 61.226 61.300 -0.007 0.000 1.112 305 I CB 0.422 38.416 38.000 -0.009 0.000 1.043 305 I HN -0.029 nan 8.210 nan 0.000 0.395 306 G N 2.369 111.165 108.800 -0.005 0.000 2.272 306 G HA2 -0.235 3.726 3.960 0.002 0.000 0.280 306 G HA3 -0.235 3.726 3.960 0.002 0.000 0.280 306 G C -0.207 174.689 174.900 -0.006 0.000 1.067 306 G CA 0.500 45.597 45.100 -0.005 0.000 0.902 306 G HN 0.492 nan 8.290 nan 0.000 0.500 307 M N -0.568 119.028 119.600 -0.006 0.000 2.386 307 M HA 0.414 4.896 4.480 0.002 0.000 0.293 307 M C -0.509 175.787 176.300 -0.007 0.000 1.120 307 M CA -0.875 54.421 55.300 -0.008 0.000 0.909 307 M CB 2.118 34.712 32.600 -0.010 0.000 1.661 307 M HN 0.146 nan 8.290 nan 0.000 0.452 308 E N 1.506 121.702 120.200 -0.007 0.000 2.354 308 E HA 0.123 4.475 4.350 0.002 0.000 0.269 308 E C 0.388 176.982 176.600 -0.009 0.000 1.036 308 E CA -0.426 55.970 56.400 -0.007 0.000 0.876 308 E CB 1.007 30.704 29.700 -0.006 0.000 1.009 308 E HN 0.503 nan 8.360 nan 0.000 0.416 309 L N 2.374 123.593 121.223 -0.007 0.000 2.376 309 L HA -0.075 4.267 4.340 0.002 0.000 0.219 309 L C 1.037 177.899 176.870 -0.013 0.000 1.133 309 L CA 1.383 56.218 54.840 -0.010 0.000 0.816 309 L CB -0.334 41.722 42.059 -0.005 0.000 0.933 309 L HN 0.581 nan 8.230 nan 0.000 0.449 310 E N 0.469 120.663 120.200 -0.011 0.000 2.492 310 E HA -0.199 4.152 4.350 0.002 0.000 0.204 310 E C 0.913 177.503 176.600 -0.018 0.000 1.073 310 E CA 0.883 57.275 56.400 -0.013 0.000 0.887 310 E CB -0.100 29.594 29.700 -0.010 0.000 0.813 310 E HN 0.591 nan 8.360 nan 0.000 0.562 311 K N -1.650 118.737 120.400 -0.022 0.000 2.614 311 K HA 0.261 4.582 4.320 0.002 0.000 0.192 311 K C -0.056 176.523 176.600 -0.034 0.000 1.398 311 K CA -0.163 56.109 56.287 -0.026 0.000 1.074 311 K CB 0.228 32.716 32.500 -0.020 0.000 1.182 311 K HN -0.014 nan 8.250 nan 0.000 0.604 312 A N 2.307 125.103 122.820 -0.039 0.000 2.520 312 A HA 0.292 4.613 4.320 0.002 0.000 0.245 312 A C 0.585 178.124 177.584 -0.075 0.000 1.072 312 A CA 0.562 52.569 52.037 -0.051 0.000 0.761 312 A CB -0.025 18.946 19.000 -0.049 0.000 1.004 312 A HN 0.506 nan 8.150 nan 0.000 0.499 313 T N 0.263 114.768 114.554 -0.081 0.000 2.897 313 T HA 0.491 4.842 4.350 0.002 0.000 0.278 313 T C 0.919 175.523 174.700 -0.160 0.000 0.981 313 T CA -0.733 61.309 62.100 -0.096 0.000 0.973 313 T CB 0.556 69.386 68.868 -0.063 0.000 1.092 313 T HN 0.395 nan 8.240 nan 0.000 0.543 314 L N 0.056 121.176 121.223 -0.173 0.000 2.633 314 L HA 0.077 4.418 4.340 0.002 0.000 0.235 314 L C 2.371 179.162 176.870 -0.132 0.000 1.163 314 L CA 0.908 55.600 54.840 -0.247 0.000 0.859 314 L CB -0.510 41.455 42.059 -0.157 0.000 0.973 314 L HN 0.762 nan 8.230 nan 0.000 0.451 315 E N -0.189 119.965 120.200 -0.076 0.000 2.389 315 E HA -0.088 4.264 4.350 0.002 0.000 0.199 315 E C 1.466 178.052 176.600 -0.023 0.000 0.978 315 E CA 0.497 56.883 56.400 -0.023 0.000 0.912 315 E CB 0.289 29.981 29.700 -0.014 0.000 0.907 315 E HN 0.280 nan 8.360 nan 0.000 0.494 316 D N -0.142 120.226 120.400 -0.054 0.000 2.333 316 D HA 0.027 4.669 4.640 0.002 0.000 0.208 316 D C 0.103 176.385 176.300 -0.030 0.000 0.984 316 D CA 0.175 54.152 54.000 -0.038 0.000 0.873 316 D CB 0.426 41.197 40.800 -0.047 0.000 0.935 316 D HN 0.226 nan 8.370 nan 0.000 0.521 317 L N 1.449 122.631 121.223 -0.069 0.000 2.360 317 L HA 0.242 4.583 4.340 0.002 0.000 0.276 317 L C 1.274 178.230 176.870 0.143 0.000 1.121 317 L CA -0.495 54.332 54.840 -0.020 0.000 0.845 317 L CB 1.145 43.031 42.059 -0.288 0.000 1.143 317 L HN -0.140 nan 8.230 nan 0.000 0.452 318 G N 3.071 111.956 108.800 0.141 0.000 2.569 318 G HA2 0.432 4.394 3.960 0.002 0.000 0.249 318 G HA3 0.432 4.394 3.960 0.002 0.000 0.249 318 G C -0.676 174.339 174.900 0.191 0.000 1.216 318 G CA -0.309 44.876 45.100 0.141 0.000 0.845 318 G HN 0.644 nan 8.290 nan 0.000 0.568 319 Q N -1.038 118.837 119.800 0.126 0.000 2.416 319 Q HA 0.635 4.976 4.340 0.002 0.000 0.281 319 Q C -0.801 175.223 176.000 0.040 0.000 1.067 319 Q CA -0.857 54.989 55.803 0.072 0.000 0.809 319 Q CB 2.657 31.417 28.738 0.036 0.000 1.418 319 Q HN 0.820 nan 8.270 nan 0.000 0.411 320 A N 0.749 123.578 122.820 0.016 0.000 2.587 320 A HA 0.404 4.726 4.320 0.002 0.000 0.293 320 A C -0.166 177.414 177.584 -0.006 0.000 1.087 320 A CA -0.616 51.430 52.037 0.014 0.000 0.692 320 A CB 1.695 20.714 19.000 0.031 0.000 1.291 320 A HN 0.772 nan 8.150 nan 0.000 0.407 321 K N -0.491 119.907 120.400 -0.004 0.000 2.147 321 K HA -0.010 4.312 4.320 0.002 0.000 0.205 321 K C 0.743 177.336 176.600 -0.013 0.000 1.049 321 K CA 1.452 57.733 56.287 -0.012 0.000 0.936 321 K CB 0.048 32.543 32.500 -0.008 0.000 0.722 321 K HN 0.598 nan 8.250 nan 0.000 0.446 322 R N -1.201 119.295 120.500 -0.007 0.000 2.712 322 R HA 0.308 4.650 4.340 0.002 0.000 0.272 322 R C -1.978 174.322 176.300 -0.001 0.000 1.032 322 R CA -0.763 55.332 56.100 -0.007 0.000 0.874 322 R CB 1.976 32.269 30.300 -0.012 0.000 1.256 322 R HN -0.122 nan 8.270 nan 0.000 0.468 323 V N 1.886 121.799 119.914 -0.003 0.000 2.789 323 V HA 0.648 4.769 4.120 0.002 0.000 0.311 323 V C -0.935 175.134 176.094 -0.042 0.000 1.073 323 V CA -0.737 61.558 62.300 -0.009 0.000 0.921 323 V CB 2.157 33.993 31.823 0.021 0.000 1.009 323 V HN 0.462 nan 8.190 nan 0.000 0.426 324 V N 4.925 124.799 119.914 -0.066 0.000 2.709 324 V HA 0.611 4.733 4.120 0.002 0.000 0.308 324 V C -0.667 175.358 176.094 -0.115 0.000 1.062 324 V CA -0.381 61.864 62.300 -0.091 0.000 0.901 324 V CB 2.049 33.827 31.823 -0.075 0.000 1.003 324 V HN 0.707 nan 8.190 nan 0.000 0.425 325 I N 4.031 124.532 120.570 -0.116 0.000 2.730 325 I HA 0.581 4.752 4.170 0.002 0.000 0.298 325 I C -0.514 175.595 176.117 -0.013 0.000 1.089 325 I CA -0.512 60.733 61.300 -0.091 0.000 1.041 325 I CB 2.529 40.494 38.000 -0.059 0.000 1.235 325 I HN 0.923 nan 8.210 nan 0.000 0.423 326 N N 3.146 121.821 118.700 -0.043 0.000 3.283 326 N HA 0.351 5.093 4.740 0.002 0.000 0.338 326 N C 0.191 175.425 175.510 -0.461 0.000 1.517 326 N CA -0.995 52.031 53.050 -0.039 0.000 0.733 326 N CB 0.809 39.253 38.487 -0.071 0.000 1.797 326 N HN 0.399 nan 8.380 nan 0.000 0.637 327 K N -1.303 118.727 120.400 -0.618 0.000 2.147 327 K HA -0.064 4.257 4.320 0.002 0.000 0.205 327 K C -0.262 176.001 176.600 -0.561 0.000 1.049 327 K CA 1.575 57.275 56.287 -0.978 0.000 0.936 327 K CB -0.085 32.144 32.500 -0.453 0.000 0.722 327 K HN 0.531 nan 8.250 nan 0.000 0.446 328 D N -0.621 119.581 120.400 -0.330 0.000 2.502 328 D HA 0.015 4.657 4.640 0.002 0.000 0.232 328 D C -0.101 176.096 176.300 -0.172 0.000 1.137 328 D CA 0.354 54.233 54.000 -0.202 0.000 0.827 328 D CB 1.280 42.000 40.800 -0.134 0.000 1.141 328 D HN 0.272 nan 8.370 nan 0.000 0.517 329 T N -1.562 112.865 114.554 -0.212 0.000 2.903 329 T HA 0.584 4.935 4.350 0.002 0.000 0.299 329 T C -0.586 173.910 174.700 -0.340 0.000 1.093 329 T CA -0.502 61.448 62.100 -0.250 0.000 1.002 329 T CB 2.623 71.381 68.868 -0.184 0.000 1.127 329 T HN -0.305 nan 8.240 nan 0.000 0.488 330 T N 2.175 116.380 114.554 -0.581 0.000 2.841 330 T HA 0.626 4.977 4.350 0.002 0.000 0.285 330 T C -0.730 173.645 174.700 -0.543 0.000 0.991 330 T CA -0.537 61.173 62.100 -0.648 0.000 0.966 330 T CB 1.571 69.769 68.868 -1.117 0.000 0.962 330 T HN 0.810 nan 8.240 nan 0.000 0.438 331 T N 3.962 118.354 114.554 -0.269 0.000 2.786 331 T HA 0.518 4.869 4.350 0.002 0.000 0.283 331 T C 0.101 174.761 174.700 -0.067 0.000 0.992 331 T CA -0.504 61.512 62.100 -0.139 0.000 0.954 331 T CB 0.473 69.283 68.868 -0.096 0.000 0.934 331 T HN 0.444 nan 8.240 nan 0.000 0.440 332 I N 4.223 124.792 120.570 -0.002 0.000 2.304 332 I HA 0.353 4.525 4.170 0.002 0.000 0.291 332 I C -0.014 176.116 176.117 0.023 0.000 1.018 332 I CA -0.543 60.779 61.300 0.037 0.000 1.260 332 I CB 0.791 38.851 38.000 0.099 0.000 1.390 332 I HN 0.503 nan 8.210 nan 0.000 0.475 333 I N 6.277 126.853 120.570 0.010 0.000 2.282 333 I HA 0.200 4.372 4.170 0.002 0.000 0.290 333 I C -0.439 175.682 176.117 0.008 0.000 1.090 333 I CA -0.182 61.120 61.300 0.003 0.000 1.231 333 I CB 0.096 38.092 38.000 -0.007 0.000 1.434 333 I HN 0.661 nan 8.210 nan 0.000 0.487 334 D N 4.337 124.745 120.400 0.012 0.000 10.484 334 D HA -0.107 4.535 4.640 0.002 0.000 0.318 334 D C 0.063 176.373 176.300 0.017 0.000 3.002 334 D CA 0.956 54.963 54.000 0.012 0.000 2.679 334 D CB 0.389 41.192 40.800 0.005 0.000 1.149 334 D HN 0.736 nan 8.370 nan 0.000 0.891 335 G N 1.911 110.722 108.800 0.019 0.000 2.380 335 G HA2 0.447 4.409 3.960 0.002 0.000 0.262 335 G HA3 0.447 4.409 3.960 0.002 0.000 0.262 335 G C 1.078 175.989 174.900 0.018 0.000 1.243 335 G CA -0.424 44.689 45.100 0.023 0.000 0.865 335 G HN 0.578 nan 8.290 nan 0.000 0.513 336 V N 3.045 122.971 119.914 0.020 0.000 3.647 336 V HA 0.161 4.282 4.120 0.002 0.000 0.279 336 V C 1.929 178.038 176.094 0.024 0.000 1.314 336 V CA 0.586 62.896 62.300 0.016 0.000 1.125 336 V CB -0.502 31.325 31.823 0.007 0.000 0.907 336 V HN 0.786 nan 8.190 nan 0.000 0.434 337 G N 0.394 109.211 108.800 0.028 0.000 2.631 337 G HA2 0.196 4.158 3.960 0.002 0.000 0.271 337 G HA3 0.196 4.158 3.960 0.002 0.000 0.271 337 G C -0.341 174.571 174.900 0.021 0.000 1.302 337 G CA -0.425 44.692 45.100 0.029 0.000 1.002 337 G HN 0.471 nan 8.290 nan 0.000 0.519 338 E N -0.199 120.012 120.200 0.019 0.000 2.159 338 E HA 0.156 4.508 4.350 0.002 0.000 0.272 338 E C 0.972 177.578 176.600 0.011 0.000 1.138 338 E CA -0.049 56.359 56.400 0.014 0.000 0.915 338 E CB 1.478 31.186 29.700 0.013 0.000 1.028 338 E HN 0.604 nan 8.360 nan 0.000 0.423 339 E N 3.961 124.167 120.200 0.010 0.000 2.108 339 E HA -0.319 4.033 4.350 0.002 0.000 0.203 339 E C 1.682 178.285 176.600 0.006 0.000 1.022 339 E CA 2.106 58.510 56.400 0.008 0.000 0.823 339 E CB -0.117 29.587 29.700 0.006 0.000 0.744 339 E HN 0.600 nan 8.360 nan 0.000 0.456 340 A N 0.133 122.956 122.820 0.005 0.000 2.015 340 A HA 0.047 4.369 4.320 0.002 0.000 0.219 340 A C 2.349 179.935 177.584 0.003 0.000 1.163 340 A CA 1.868 53.907 52.037 0.004 0.000 0.646 340 A CB -0.716 18.286 19.000 0.004 0.000 0.806 340 A HN 0.399 nan 8.150 nan 0.000 0.448 341 A N -0.087 122.736 122.820 0.004 0.000 1.930 341 A HA 0.084 4.406 4.320 0.002 0.000 0.215 341 A C 2.042 179.628 177.584 0.003 0.000 1.176 341 A CA 1.096 53.135 52.037 0.003 0.000 0.632 341 A CB -0.477 18.526 19.000 0.005 0.000 0.819 341 A HN 0.468 nan 8.150 nan 0.000 0.445 342 I N -0.368 120.205 120.570 0.005 0.000 2.127 342 I HA -0.345 3.826 4.170 0.002 0.000 0.241 342 I C 2.796 178.914 176.117 0.003 0.000 1.075 342 I CA 1.721 63.024 61.300 0.005 0.000 1.334 342 I CB -0.586 37.419 38.000 0.008 0.000 1.040 342 I HN 0.413 nan 8.210 nan 0.000 0.405 343 Q N 0.601 120.403 119.800 0.003 0.000 2.084 343 Q HA -0.160 4.182 4.340 0.002 0.000 0.202 343 Q C 2.391 178.391 176.000 -0.000 0.000 0.978 343 Q CA 1.660 57.464 55.803 0.002 0.000 0.844 343 Q CB -0.491 28.248 28.738 0.002 0.000 0.898 343 Q HN 0.672 nan 8.270 nan 0.000 0.426 344 G N 0.973 109.773 108.800 -0.000 0.000 2.442 344 G HA2 -0.282 3.680 3.960 0.002 0.000 0.219 344 G HA3 -0.282 3.680 3.960 0.002 0.000 0.219 344 G C 1.545 176.442 174.900 -0.004 0.000 1.141 344 G CA 0.423 45.522 45.100 -0.002 0.000 0.763 344 G HN 0.067 nan 8.290 nan 0.000 0.554 345 R N 0.336 120.833 120.500 -0.004 0.000 2.066 345 R HA -0.002 4.340 4.340 0.002 0.000 0.232 345 R C 2.798 179.094 176.300 -0.008 0.000 1.131 345 R CA 1.106 57.202 56.100 -0.007 0.000 0.955 345 R CB -1.067 29.229 30.300 -0.007 0.000 0.851 345 R HN 0.290 nan 8.270 nan 0.000 0.432 346 V N 1.245 121.156 119.914 -0.005 0.000 2.287 346 V HA -0.270 3.852 4.120 0.002 0.000 0.248 346 V C 2.561 178.652 176.094 -0.005 0.000 1.053 346 V CA 2.028 64.325 62.300 -0.004 0.000 1.027 346 V CB -0.983 30.840 31.823 -0.001 0.000 0.646 346 V HN 0.415 nan 8.190 nan 0.000 0.447 347 A N -1.013 121.805 122.820 -0.004 0.000 1.902 347 A HA -0.321 4.001 4.320 0.002 0.000 0.217 347 A C 2.261 179.841 177.584 -0.007 0.000 1.181 347 A CA 2.198 54.232 52.037 -0.004 0.000 0.623 347 A CB -0.570 18.428 19.000 -0.003 0.000 0.818 347 A HN 0.604 nan 8.150 nan 0.000 0.443 348 Q N -0.450 119.344 119.800 -0.008 0.000 2.119 348 Q HA -0.119 4.223 4.340 0.002 0.000 0.201 348 Q C 1.962 177.953 176.000 -0.015 0.000 0.972 348 Q CA 1.516 57.312 55.803 -0.011 0.000 0.847 348 Q CB -0.228 28.503 28.738 -0.012 0.000 0.903 348 Q HN 0.751 nan 8.270 nan 0.000 0.433 349 I N -0.057 120.503 120.570 -0.016 0.000 2.252 349 I HA -0.271 3.901 4.170 0.002 0.000 0.245 349 I C 2.654 178.761 176.117 -0.016 0.000 1.102 349 I CA 1.049 62.337 61.300 -0.020 0.000 1.385 349 I CB -0.391 37.596 38.000 -0.021 0.000 1.064 349 I HN 0.205 nan 8.210 nan 0.000 0.414 350 R N 0.818 121.311 120.500 -0.011 0.000 2.096 350 R HA -0.214 4.127 4.340 0.002 0.000 0.235 350 R C 2.445 178.740 176.300 -0.008 0.000 1.127 350 R CA 1.340 57.435 56.100 -0.008 0.000 0.968 350 R CB -0.230 30.068 30.300 -0.004 0.000 0.861 350 R HN 0.380 nan 8.270 nan 0.000 0.440 351 Q N 0.951 120.746 119.800 -0.008 0.000 2.096 351 Q HA -0.248 4.093 4.340 0.002 0.000 0.204 351 Q C 1.651 177.645 176.000 -0.011 0.000 0.982 351 Q CA 1.917 57.715 55.803 -0.008 0.000 0.850 351 Q CB -0.087 28.647 28.738 -0.008 0.000 0.901 351 Q HN 0.523 nan 8.270 nan 0.000 0.422 352 Q N -0.014 119.776 119.800 -0.015 0.000 2.167 352 Q HA -0.040 4.301 4.340 0.002 0.000 0.202 352 Q C 2.265 178.253 176.000 -0.020 0.000 0.970 352 Q CA 1.244 57.035 55.803 -0.020 0.000 0.855 352 Q CB -0.054 28.668 28.738 -0.028 0.000 0.911 352 Q HN 0.441 nan 8.270 nan 0.000 0.438 353 I N 1.091 121.650 120.570 -0.017 0.000 2.335 353 I HA -0.228 3.943 4.170 0.002 0.000 0.251 353 I C 1.462 177.575 176.117 -0.006 0.000 1.129 353 I CA 0.928 62.221 61.300 -0.012 0.000 1.402 353 I CB -0.106 37.888 38.000 -0.008 0.000 1.069 353 I HN 0.164 nan 8.210 nan 0.000 0.424 354 E N 1.158 121.355 120.200 -0.005 0.000 2.476 354 E HA -0.067 4.285 4.350 0.002 0.000 0.191 354 E C 0.608 177.207 176.600 -0.002 0.000 1.064 354 E CA 0.320 56.719 56.400 -0.001 0.000 0.866 354 E CB -0.017 29.683 29.700 -0.001 0.000 0.952 354 E HN 0.719 nan 8.360 nan 0.000 0.492 355 E N -0.840 119.356 120.200 -0.005 0.000 2.948 355 E HA 0.307 4.658 4.350 0.002 0.000 0.186 355 E C -0.139 176.456 176.600 -0.008 0.000 0.951 355 E CA -0.288 56.109 56.400 -0.005 0.000 1.308 355 E CB 0.298 29.994 29.700 -0.006 0.000 1.037 355 E HN -0.007 nan 8.360 nan 0.000 0.469 356 A N 1.633 124.447 122.820 -0.011 0.000 2.491 356 A HA 0.191 4.512 4.320 0.002 0.000 0.261 356 A C 1.276 178.856 177.584 -0.007 0.000 1.101 356 A CA 0.330 52.357 52.037 -0.017 0.000 0.772 356 A CB 0.020 19.006 19.000 -0.022 0.000 1.043 356 A HN 0.360 nan 8.150 nan 0.000 0.501 357 T N -0.007 114.542 114.554 -0.007 0.000 3.320 357 T HA 0.297 4.648 4.350 0.002 0.000 0.258 357 T C 0.501 175.215 174.700 0.023 0.000 1.176 357 T CA 0.501 62.605 62.100 0.007 0.000 1.037 357 T CB -1.252 67.620 68.868 0.005 0.000 0.958 357 T HN 1.701 nan 8.240 nan 0.000 0.545 358 S N -1.228 114.488 115.700 0.027 0.000 2.688 358 S HA 0.212 4.683 4.470 0.002 0.000 0.266 358 S C -0.477 174.154 174.600 0.052 0.000 1.061 358 S CA -0.778 57.453 58.200 0.053 0.000 0.844 358 S CB 0.530 63.791 63.200 0.101 0.000 1.103 358 S HN 0.007 nan 8.310 nan 0.000 0.471 359 D N 0.066 120.508 120.400 0.069 0.000 2.144 359 D HA -0.070 4.571 4.640 0.002 0.000 0.200 359 D C 1.452 177.821 176.300 0.115 0.000 0.978 359 D CA 1.545 55.587 54.000 0.070 0.000 0.833 359 D CB -0.251 40.581 40.800 0.055 0.000 0.961 359 D HN 0.569 nan 8.370 nan 0.000 0.470 360 Y N 2.513 122.815 120.300 0.004 0.000 2.224 360 Y HA -0.169 4.382 4.550 0.003 0.000 0.289 360 Y C 1.721 177.625 175.900 0.007 0.000 1.146 360 Y CA 1.233 59.339 58.100 0.009 0.000 1.182 360 Y CB -0.217 38.252 38.460 0.014 0.000 0.983 360 Y HN -0.157 nan 8.280 nan 0.000 0.524 361 D N -0.074 120.247 120.400 -0.132 0.000 2.117 361 D HA -0.184 4.457 4.640 0.002 0.000 0.197 361 D C 2.240 178.468 176.300 -0.120 0.000 0.987 361 D CA 1.342 55.227 54.000 -0.191 0.000 0.829 361 D CB -0.276 40.469 40.800 -0.093 0.000 0.961 361 D HN 0.328 nan 8.370 nan 0.000 0.460 362 R N 0.859 121.331 120.500 -0.047 0.000 2.115 362 R HA -0.096 4.245 4.340 0.002 0.000 0.230 362 R C 2.077 178.363 176.300 -0.023 0.000 1.111 362 R CA 0.926 57.011 56.100 -0.024 0.000 0.976 362 R CB 0.184 30.485 30.300 0.003 0.000 0.870 362 R HN 0.231 nan 8.270 nan 0.000 0.445 363 E N 0.740 120.931 120.200 -0.014 0.000 2.012 363 E HA -0.240 4.112 4.350 0.002 0.000 0.197 363 E C 1.467 178.034 176.600 -0.054 0.000 1.007 363 E CA 1.785 58.183 56.400 -0.004 0.000 0.816 363 E CB -0.119 29.612 29.700 0.052 0.000 0.762 363 E HN 0.397 nan 8.360 nan 0.000 0.451 364 K N 0.750 121.071 120.400 -0.131 0.000 2.616 364 K HA -0.046 4.276 4.320 0.002 0.000 0.192 364 K C 1.528 178.053 176.600 -0.124 0.000 1.031 364 K CA 0.568 56.760 56.287 -0.158 0.000 1.004 364 K CB 0.282 32.621 32.500 -0.269 0.000 0.810 364 K HN 0.086 nan 8.250 nan 0.000 0.497 365 L N 1.509 122.677 121.223 -0.092 0.000 2.349 365 L HA -0.041 4.300 4.340 0.002 0.000 0.200 365 L C 2.791 179.637 176.870 -0.040 0.000 1.064 365 L CA 1.388 56.190 54.840 -0.064 0.000 0.821 365 L CB -1.066 40.959 42.059 -0.056 0.000 1.027 365 L HN 0.420 nan 8.230 nan 0.000 0.476 366 Q N 0.204 119.987 119.800 -0.028 0.000 2.170 366 Q HA -0.214 4.127 4.340 0.002 0.000 0.203 366 Q C 1.422 177.418 176.000 -0.008 0.000 0.976 366 Q CA 1.550 57.346 55.803 -0.011 0.000 0.858 366 Q CB -0.337 28.402 28.738 0.003 0.000 0.907 366 Q HN 0.466 nan 8.270 nan 0.000 0.433 367 E N 0.726 120.919 120.200 -0.013 0.000 2.169 367 E HA -0.218 4.134 4.350 0.002 0.000 0.202 367 E C 1.947 178.542 176.600 -0.008 0.000 1.016 367 E CA 1.671 58.065 56.400 -0.009 0.000 0.817 367 E CB 0.012 29.698 29.700 -0.022 0.000 0.736 367 E HN 0.444 nan 8.360 nan 0.000 0.462 368 R N -0.307 120.182 120.500 -0.017 0.000 2.265 368 R HA 0.003 4.345 4.340 0.002 0.000 0.194 368 R C 2.426 178.721 176.300 -0.009 0.000 0.931 368 R CA 0.510 56.600 56.100 -0.016 0.000 1.032 368 R CB 0.241 30.521 30.300 -0.034 0.000 0.980 368 R HN 0.096 nan 8.270 nan 0.000 0.497 369 V N -1.390 118.519 119.914 -0.008 0.000 2.307 369 V HA -0.102 4.020 4.120 0.002 0.000 0.245 369 V C 2.258 178.352 176.094 0.001 0.000 1.045 369 V CA 1.855 64.153 62.300 -0.004 0.000 1.024 369 V CB -0.979 30.842 31.823 -0.004 0.000 0.651 369 V HN 0.216 nan 8.190 nan 0.000 0.449 370 A N 0.462 123.284 122.820 0.003 0.000 1.898 370 A HA -0.125 4.196 4.320 0.002 0.000 0.216 370 A C 2.321 179.911 177.584 0.010 0.000 1.181 370 A CA 1.883 53.923 52.037 0.006 0.000 0.620 370 A CB -0.583 18.420 19.000 0.005 0.000 0.819 370 A HN 0.575 nan 8.150 nan 0.000 0.442 371 K N -0.415 119.994 120.400 0.014 0.000 2.211 371 K HA -0.060 4.262 4.320 0.002 0.000 0.204 371 K C 1.736 178.352 176.600 0.027 0.000 1.047 371 K CA 1.233 57.535 56.287 0.026 0.000 0.935 371 K CB -0.303 32.219 32.500 0.037 0.000 0.728 371 K HN 0.480 nan 8.250 nan 0.000 0.452 372 L N -0.370 120.863 121.223 0.017 0.000 2.102 372 L HA -0.032 4.310 4.340 0.002 0.000 0.202 372 L C 2.398 179.275 176.870 0.012 0.000 1.076 372 L CA 0.799 55.648 54.840 0.015 0.000 0.761 372 L CB -0.340 41.722 42.059 0.006 0.000 0.921 372 L HN 0.128 nan 8.230 nan 0.000 0.444 373 A N -0.955 121.870 122.820 0.008 0.000 2.119 373 A HA 0.180 4.501 4.320 0.002 0.000 0.216 373 A C 1.803 179.390 177.584 0.006 0.000 1.152 373 A CA 1.439 53.479 52.037 0.006 0.000 0.708 373 A CB -0.210 18.792 19.000 0.004 0.000 0.805 373 A HN 0.512 nan 8.150 nan 0.000 0.460 374 G N -3.644 105.160 108.800 0.007 0.000 4.130 374 G HA2 0.496 4.458 3.960 0.002 0.000 0.162 374 G HA3 0.496 4.458 3.960 0.002 0.000 0.162 374 G C 0.681 175.584 174.900 0.005 0.000 1.099 374 G CA 0.971 46.074 45.100 0.005 0.000 0.889 374 G HN 1.741 nan 8.290 nan 0.000 0.547 375 G N -1.166 107.638 108.800 0.007 0.000 2.225 375 G HA2 0.423 4.384 3.960 0.002 0.000 0.203 375 G HA3 0.423 4.384 3.960 0.002 0.000 0.203 375 G C -1.673 173.229 174.900 0.004 0.000 1.335 375 G CA 0.261 45.365 45.100 0.006 0.000 1.183 375 G HN 1.206 nan 8.290 nan 0.000 0.488 376 V N 0.428 120.342 119.914 -0.000 0.000 2.808 376 V HA 0.784 4.906 4.120 0.002 0.000 0.308 376 V C 0.380 176.470 176.094 -0.007 0.000 1.099 376 V CA -0.071 62.228 62.300 -0.002 0.000 0.920 376 V CB 1.338 33.161 31.823 -0.000 0.000 1.014 376 V HN 2.083 nan 8.190 nan 0.000 0.425 377 A N 3.702 126.517 122.820 -0.008 0.000 2.312 377 A HA 0.951 5.272 4.320 0.002 0.000 0.328 377 A C -0.860 176.717 177.584 -0.012 0.000 1.158 377 A CA -0.588 51.442 52.037 -0.011 0.000 0.821 377 A CB 1.575 20.568 19.000 -0.012 0.000 1.170 377 A HN 0.878 nan 8.150 nan 0.000 0.490 378 V N 2.796 122.701 119.914 -0.014 0.000 2.577 378 V HA 0.338 4.459 4.120 0.002 0.000 0.303 378 V C -0.527 175.558 176.094 -0.015 0.000 1.042 378 V CA -0.186 62.106 62.300 -0.014 0.000 0.872 378 V CB 1.631 33.446 31.823 -0.014 0.000 0.998 378 V HN 0.757 nan 8.190 nan 0.000 0.423 379 I N 4.293 124.853 120.570 -0.017 0.000 2.301 379 I HA 0.306 4.477 4.170 0.002 0.000 0.292 379 I C 0.376 176.484 176.117 -0.014 0.000 1.046 379 I CA -0.373 60.916 61.300 -0.017 0.000 1.282 379 I CB 0.872 38.859 38.000 -0.021 0.000 1.409 379 I HN 0.544 nan 8.210 nan 0.000 0.484 380 K N 6.082 126.475 120.400 -0.013 0.000 2.278 380 K HA 0.285 4.607 4.320 0.002 0.000 0.289 380 K C -0.524 176.070 176.600 -0.010 0.000 1.080 380 K CA -0.373 55.908 56.287 -0.011 0.000 0.934 380 K CB 0.668 33.161 32.500 -0.011 0.000 1.093 380 K HN 0.353 nan 8.250 nan 0.000 0.459 381 V N 2.328 122.237 119.914 -0.009 0.000 2.614 381 V HA 0.293 4.414 4.120 0.002 0.000 0.291 381 V C 0.910 177.000 176.094 -0.007 0.000 1.049 381 V CA -0.401 61.894 62.300 -0.008 0.000 1.038 381 V CB 1.257 33.077 31.823 -0.007 0.000 0.980 381 V HN 0.902 nan 8.190 nan 0.000 0.481 382 G N 2.141 110.937 108.800 -0.007 0.000 2.571 382 G HA2 0.874 4.836 3.960 0.002 0.000 0.304 382 G HA3 0.874 4.836 3.960 0.002 0.000 0.304 382 G C -0.939 173.957 174.900 -0.006 0.000 1.314 382 G CA -0.079 45.017 45.100 -0.007 0.000 0.975 382 G HN 1.241 nan 8.290 nan 0.000 0.485 383 A N -0.421 122.395 122.820 -0.006 0.000 2.566 383 A HA 0.810 5.132 4.320 0.002 0.000 0.290 383 A C 0.543 178.124 177.584 -0.005 0.000 1.071 383 A CA 0.399 52.432 52.037 -0.005 0.000 0.658 383 A CB 0.641 19.638 19.000 -0.005 0.000 1.285 383 A HN 1.981 nan 8.150 nan 0.000 0.427 384 A N -0.470 122.347 122.820 -0.005 0.000 2.081 384 A HA 0.486 4.808 4.320 0.002 0.000 0.214 384 A C 1.148 178.729 177.584 -0.006 0.000 1.158 384 A CA 2.144 54.178 52.037 -0.006 0.000 0.724 384 A CB -0.405 18.591 19.000 -0.006 0.000 0.826 384 A HN 2.120 nan 8.150 nan 0.000 0.463 385 T N -4.956 109.594 114.554 -0.006 0.000 2.778 385 T HA 0.465 4.817 4.350 0.002 0.000 0.293 385 T C 0.375 175.072 174.700 -0.005 0.000 1.144 385 T CA 0.064 62.160 62.100 -0.006 0.000 1.010 385 T CB 1.643 70.507 68.868 -0.007 0.000 1.325 385 T HN 0.096 nan 8.240 nan 0.000 0.515 386 E N -0.198 119.998 120.200 -0.006 0.000 2.122 386 E HA -0.061 4.290 4.350 0.002 0.000 0.190 386 E C 2.169 178.766 176.600 -0.005 0.000 0.977 386 E CA 1.158 57.555 56.400 -0.005 0.000 0.820 386 E CB -0.090 29.608 29.700 -0.004 0.000 0.770 386 E HN 0.570 nan 8.360 nan 0.000 0.462 387 V N -0.508 119.401 119.914 -0.008 0.000 2.392 387 V HA -0.244 3.878 4.120 0.002 0.000 0.249 387 V C 2.127 178.217 176.094 -0.006 0.000 1.059 387 V CA 2.283 64.578 62.300 -0.009 0.000 1.051 387 V CB -0.665 31.151 31.823 -0.013 0.000 0.658 387 V HN 0.231 nan 8.190 nan 0.000 0.455 388 E N -0.308 119.889 120.200 -0.005 0.000 2.072 388 E HA -0.203 4.148 4.350 0.002 0.000 0.190 388 E C 2.133 178.732 176.600 -0.002 0.000 0.982 388 E CA 1.383 57.781 56.400 -0.004 0.000 0.803 388 E CB -0.173 29.524 29.700 -0.005 0.000 0.755 388 E HN 0.560 nan 8.360 nan 0.000 0.453 389 M N 1.204 120.802 119.600 -0.002 0.000 2.144 389 M HA -0.195 4.287 4.480 0.002 0.000 0.260 389 M C 1.672 177.973 176.300 0.001 0.000 1.067 389 M CA 1.757 57.056 55.300 -0.001 0.000 1.095 389 M CB 0.076 32.675 32.600 -0.001 0.000 1.365 389 M HN -0.084 nan 8.290 nan 0.000 0.406 390 K N -0.632 119.770 120.400 0.003 0.000 2.116 390 K HA -0.157 4.165 4.320 0.002 0.000 0.203 390 K C 1.798 178.403 176.600 0.008 0.000 1.052 390 K CA 1.496 57.787 56.287 0.007 0.000 0.952 390 K CB -0.196 32.308 32.500 0.006 0.000 0.729 390 K HN 0.514 nan 8.250 nan 0.000 0.446 391 E N 1.704 121.907 120.200 0.005 0.000 2.106 391 E HA -0.210 4.141 4.350 0.002 0.000 0.192 391 E C 1.809 178.412 176.600 0.006 0.000 0.984 391 E CA 1.381 57.785 56.400 0.007 0.000 0.806 391 E CB -0.075 29.627 29.700 0.004 0.000 0.750 391 E HN -0.023 nan 8.360 nan 0.000 0.458 392 K N 1.272 121.674 120.400 0.002 0.000 2.009 392 K HA -0.157 4.165 4.320 0.002 0.000 0.210 392 K C 2.164 178.764 176.600 0.000 0.000 1.049 392 K CA 2.174 58.461 56.287 -0.000 0.000 0.929 392 K CB -0.328 32.170 32.500 -0.003 0.000 0.714 392 K HN 0.186 nan 8.250 nan 0.000 0.440 393 K N -0.410 119.991 120.400 0.002 0.000 2.063 393 K HA -0.161 4.160 4.320 0.002 0.000 0.208 393 K C 1.932 178.538 176.600 0.010 0.000 1.048 393 K CA 1.487 57.776 56.287 0.004 0.000 0.928 393 K CB -0.338 32.167 32.500 0.008 0.000 0.713 393 K HN 0.240 nan 8.250 nan 0.000 0.442 394 A N 1.458 124.289 122.820 0.018 0.000 1.877 394 A HA -0.174 4.148 4.320 0.002 0.000 0.216 394 A C 2.100 179.700 177.584 0.028 0.000 1.186 394 A CA 1.579 53.634 52.037 0.030 0.000 0.620 394 A CB -0.518 18.500 19.000 0.030 0.000 0.822 394 A HN 0.341 nan 8.150 nan 0.000 0.443 395 R N -0.735 119.774 120.500 0.016 0.000 2.120 395 R HA -0.072 4.269 4.340 0.002 0.000 0.234 395 R C 1.995 178.293 176.300 -0.004 0.000 1.123 395 R CA 1.370 57.476 56.100 0.010 0.000 0.975 395 R CB -0.500 29.804 30.300 0.005 0.000 0.866 395 R HN 0.419 nan 8.270 nan 0.000 0.446 396 V N 1.104 121.009 119.914 -0.014 0.000 2.427 396 V HA -0.203 3.918 4.120 0.002 0.000 0.248 396 V C 2.141 178.192 176.094 -0.072 0.000 1.051 396 V CA 1.639 63.918 62.300 -0.035 0.000 1.048 396 V CB -0.383 31.422 31.823 -0.030 0.000 0.666 396 V HN 0.327 nan 8.190 nan 0.000 0.456 397 E N 0.007 120.170 120.200 -0.063 0.000 2.031 397 E HA -0.289 4.062 4.350 0.002 0.000 0.193 397 E C 2.019 178.532 176.600 -0.145 0.000 0.994 397 E CA 1.807 58.122 56.400 -0.141 0.000 0.800 397 E CB -0.192 29.527 29.700 0.032 0.000 0.752 397 E HN 0.639 nan 8.360 nan 0.000 0.447 398 D N -0.149 120.277 120.400 0.042 0.000 2.149 398 D HA -0.130 4.511 4.640 0.002 0.000 0.198 398 D C 1.749 178.079 176.300 0.051 0.000 0.990 398 D CA 1.378 55.446 54.000 0.114 0.000 0.839 398 D CB 0.047 40.898 40.800 0.085 0.000 0.948 398 D HN 0.176 nan 8.370 nan 0.000 0.460 399 A N 0.206 123.023 122.820 -0.005 0.000 2.014 399 A HA -0.032 4.289 4.320 0.002 0.000 0.218 399 A C 2.057 179.612 177.584 -0.048 0.000 1.163 399 A CA 0.535 52.562 52.037 -0.016 0.000 0.652 399 A CB -0.537 18.452 19.000 -0.018 0.000 0.808 399 A HN 0.391 nan 8.150 nan 0.000 0.449 400 L N -0.641 120.505 121.223 -0.128 0.000 2.072 400 L HA -0.119 4.223 4.340 0.002 0.000 0.205 400 L C 2.225 179.002 176.870 -0.154 0.000 1.079 400 L CA 2.106 56.840 54.840 -0.178 0.000 0.752 400 L CB -1.239 40.657 42.059 -0.271 0.000 0.906 400 L HN 0.478 nan 8.230 nan 0.000 0.436 401 H N 0.275 119.354 119.070 0.014 0.000 2.353 401 H HA -0.037 4.520 4.556 0.002 0.000 0.300 401 H C 2.220 177.559 175.328 0.017 0.000 1.090 401 H CA 1.425 57.484 56.048 0.018 0.000 1.327 401 H CB -0.392 29.383 29.762 0.021 0.000 1.383 401 H HN 0.453 nan 8.280 nan 0.000 0.508 402 A N 0.868 123.756 122.820 0.113 0.000 1.898 402 A HA -0.164 4.157 4.320 0.002 0.000 0.216 402 A C 2.677 180.285 177.584 0.040 0.000 1.181 402 A CA 2.336 54.413 52.037 0.067 0.000 0.620 402 A CB -0.906 18.123 19.000 0.049 0.000 0.819 402 A HN 0.595 nan 8.150 nan 0.000 0.442 403 T N -2.070 112.497 114.554 0.021 0.000 2.777 403 T HA -0.139 4.212 4.350 0.002 0.000 0.266 403 T C 1.989 176.699 174.700 0.018 0.000 1.040 403 T CA 1.039 63.145 62.100 0.011 0.000 1.141 403 T CB -0.362 68.503 68.868 -0.005 0.000 0.868 403 T HN 0.356 nan 8.240 nan 0.000 0.444 404 R N 1.766 122.283 120.500 0.027 0.000 2.096 404 R HA 0.045 4.386 4.340 0.002 0.000 0.240 404 R C 2.930 179.255 176.300 0.043 0.000 1.139 404 R CA 1.624 57.748 56.100 0.039 0.000 0.952 404 R CB -1.308 29.031 30.300 0.065 0.000 0.854 404 R HN 0.589 nan 8.270 nan 0.000 0.436 405 A N 1.037 123.889 122.820 0.053 0.000 1.933 405 A HA -0.074 4.247 4.320 0.002 0.000 0.218 405 A C 2.383 179.983 177.584 0.027 0.000 1.175 405 A CA 1.791 53.854 52.037 0.043 0.000 0.628 405 A CB -0.472 18.559 19.000 0.052 0.000 0.814 405 A HN 0.381 nan 8.150 nan 0.000 0.444 406 A N -0.676 122.158 122.820 0.023 0.000 1.930 406 A HA 0.043 4.365 4.320 0.002 0.000 0.217 406 A C 2.158 179.749 177.584 0.012 0.000 1.175 406 A CA 1.589 53.635 52.037 0.015 0.000 0.627 406 A CB -0.797 18.210 19.000 0.012 0.000 0.815 406 A HN 0.375 nan 8.150 nan 0.000 0.443 407 V N 1.176 121.098 119.914 0.014 0.000 2.490 407 V HA -0.263 3.859 4.120 0.002 0.000 0.250 407 V C 2.503 178.604 176.094 0.012 0.000 1.061 407 V CA 2.259 64.566 62.300 0.011 0.000 1.064 407 V CB -0.846 30.983 31.823 0.011 0.000 0.670 407 V HN 0.923 nan 8.190 nan 0.000 0.461 408 E N 0.000 120.209 120.200 0.015 0.000 2.250 408 E HA -0.138 4.214 4.350 0.002 0.000 0.192 408 E C 1.882 178.488 176.600 0.010 0.000 0.986 408 E CA 1.086 57.494 56.400 0.014 0.000 0.849 408 E CB -0.017 29.694 29.700 0.018 0.000 0.797 408 E HN 0.645 nan 8.360 nan 0.000 0.482 409 E N 0.237 120.442 120.200 0.009 0.000 2.572 409 E HA 0.207 4.558 4.350 0.002 0.000 0.220 409 E C 0.369 176.971 176.600 0.003 0.000 0.945 409 E CA 0.371 56.773 56.400 0.004 0.000 1.070 409 E CB 0.927 30.628 29.700 0.002 0.000 1.090 409 E HN 0.346 nan 8.360 nan 0.000 0.506 410 G N 0.464 109.267 108.800 0.005 0.000 2.615 410 G HA2 -0.213 3.748 3.960 0.002 0.000 0.218 410 G HA3 -0.213 3.748 3.960 0.002 0.000 0.218 410 G C -0.446 174.456 174.900 0.004 0.000 1.339 410 G CA -0.412 44.690 45.100 0.004 0.000 0.884 410 G HN 0.703 nan 8.290 nan 0.000 0.559 411 V N -2.688 117.228 119.914 0.003 0.000 3.007 411 V HA 0.975 5.096 4.120 0.002 0.000 0.311 411 V C 0.483 176.579 176.094 0.004 0.000 1.120 411 V CA 0.138 62.440 62.300 0.004 0.000 0.980 411 V CB 1.237 33.062 31.823 0.003 0.000 1.033 411 V HN 2.457 nan 8.190 nan 0.000 0.429 412 V N -0.343 119.574 119.914 0.005 0.000 3.158 412 V HA 1.023 5.144 4.120 0.002 0.000 0.311 412 V C 0.548 176.648 176.094 0.009 0.000 1.181 412 V CA -0.704 61.600 62.300 0.007 0.000 1.054 412 V CB 1.372 33.199 31.823 0.007 0.000 1.085 412 V HN 2.113 nan 8.190 nan 0.000 0.446 413 A N 0.791 123.619 122.820 0.013 0.000 2.524 413 A HA 0.619 4.941 4.320 0.002 0.000 0.250 413 A C 0.809 178.401 177.584 0.014 0.000 1.078 413 A CA 0.648 52.695 52.037 0.015 0.000 0.761 413 A CB -0.719 18.296 19.000 0.025 0.000 1.012 413 A HN 1.912 nan 8.150 nan 0.000 0.500 414 G N 0.678 109.483 108.800 0.008 0.000 2.525 414 G HA2 0.529 4.491 3.960 0.002 0.000 0.287 414 G HA3 0.529 4.491 3.960 0.002 0.000 0.287 414 G C 1.127 176.034 174.900 0.011 0.000 1.350 414 G CA -0.067 45.036 45.100 0.006 0.000 1.039 414 G HN 2.220 nan 8.290 nan 0.000 0.513 415 G N -2.132 106.675 108.800 0.011 0.000 2.203 415 G HA2 0.190 4.152 3.960 0.002 0.000 0.263 415 G HA3 0.190 4.152 3.960 0.002 0.000 0.263 415 G C 1.521 176.439 174.900 0.030 0.000 1.012 415 G CA 1.201 46.315 45.100 0.022 0.000 0.749 415 G HN 2.518 nan 8.290 nan 0.000 0.512 416 G N -2.395 106.419 108.800 0.023 0.000 2.168 416 G HA2 -0.189 3.773 3.960 0.002 0.000 0.263 416 G HA3 -0.189 3.773 3.960 0.002 0.000 0.263 416 G C 1.503 176.421 174.900 0.030 0.000 0.977 416 G CA 1.488 46.602 45.100 0.024 0.000 0.659 416 G HN 1.704 nan 8.290 nan 0.000 0.533 417 V N 0.541 120.477 119.914 0.037 0.000 2.490 417 V HA 0.092 4.213 4.120 0.002 0.000 0.250 417 V C 3.037 179.157 176.094 0.043 0.000 1.061 417 V CA 2.815 65.144 62.300 0.049 0.000 1.064 417 V CB -0.581 31.279 31.823 0.061 0.000 0.670 417 V HN 1.161 nan 8.190 nan 0.000 0.461 418 A N -0.281 122.558 122.820 0.032 0.000 1.948 418 A HA -0.239 4.082 4.320 0.002 0.000 0.220 418 A C 2.128 179.724 177.584 0.021 0.000 1.177 418 A CA 2.261 54.313 52.037 0.025 0.000 0.636 418 A CB -0.689 18.322 19.000 0.017 0.000 0.815 418 A HN 0.555 nan 8.150 nan 0.000 0.449 419 L N -0.038 121.196 121.223 0.018 0.000 2.046 419 L HA -0.129 4.213 4.340 0.002 0.000 0.208 419 L C 2.263 179.145 176.870 0.019 0.000 1.077 419 L CA 1.800 56.648 54.840 0.014 0.000 0.747 419 L CB -0.378 41.687 42.059 0.011 0.000 0.896 419 L HN 0.462 nan 8.230 nan 0.000 0.432 420 I N -1.073 119.513 120.570 0.028 0.000 2.226 420 I HA -0.258 3.913 4.170 0.002 0.000 0.245 420 I C 2.498 178.634 176.117 0.031 0.000 1.100 420 I CA 0.684 62.003 61.300 0.032 0.000 1.374 420 I CB -0.448 37.579 38.000 0.044 0.000 1.057 420 I HN 0.244 nan 8.210 nan 0.000 0.413 421 R N 0.750 121.271 120.500 0.034 0.000 2.073 421 R HA -0.129 4.212 4.340 0.002 0.000 0.234 421 R C 2.371 178.683 176.300 0.020 0.000 1.134 421 R CA 1.808 57.926 56.100 0.031 0.000 0.952 421 R CB -1.300 29.021 30.300 0.035 0.000 0.850 421 R HN 0.462 nan 8.270 nan 0.000 0.433 422 V N -1.313 118.611 119.914 0.016 0.000 2.515 422 V HA 0.005 4.127 4.120 0.002 0.000 0.250 422 V C 2.332 178.432 176.094 0.009 0.000 1.058 422 V CA 1.608 63.914 62.300 0.010 0.000 1.064 422 V CB -1.023 30.804 31.823 0.006 0.000 0.675 422 V HN 0.169 nan 8.190 nan 0.000 0.461 423 A N 1.840 124.666 122.820 0.011 0.000 1.933 423 A HA -0.167 4.154 4.320 0.002 0.000 0.218 423 A C 2.577 180.166 177.584 0.009 0.000 1.175 423 A CA 2.409 54.452 52.037 0.010 0.000 0.628 423 A CB -1.114 17.893 19.000 0.012 0.000 0.814 423 A HN 1.031 nan 8.150 nan 0.000 0.444 424 S N -0.148 115.559 115.700 0.012 0.000 2.500 424 S HA -0.130 4.341 4.470 0.002 0.000 0.239 424 S C 1.455 176.058 174.600 0.006 0.000 0.989 424 S CA 1.467 59.673 58.200 0.009 0.000 0.951 424 S CB -0.354 62.852 63.200 0.011 0.000 0.759 424 S HN 0.644 nan 8.310 nan 0.000 0.523 425 K N 0.236 120.640 120.400 0.006 0.000 2.393 425 K HA 0.358 4.680 4.320 0.002 0.000 0.193 425 K C 1.070 177.672 176.600 0.003 0.000 1.026 425 K CA 0.334 56.623 56.287 0.004 0.000 1.064 425 K CB 0.070 32.573 32.500 0.005 0.000 0.833 425 K HN 0.381 nan 8.250 nan 0.000 0.521 426 L N -0.791 120.434 121.223 0.004 0.000 2.920 426 L HA 0.272 4.614 4.340 0.002 0.000 0.257 426 L C 1.822 178.694 176.870 0.003 0.000 1.150 426 L CA -0.058 54.784 54.840 0.003 0.000 0.959 426 L CB 0.383 42.444 42.059 0.003 0.000 1.321 426 L HN 0.007 nan 8.230 nan 0.000 0.555 427 A N -0.181 122.641 122.820 0.003 0.000 2.070 427 A HA -0.182 4.140 4.320 0.002 0.000 0.220 427 A C 1.576 179.162 177.584 0.003 0.000 1.159 427 A CA 1.564 53.603 52.037 0.003 0.000 0.656 427 A CB -0.228 18.774 19.000 0.003 0.000 0.800 427 A HN 0.294 nan 8.150 nan 0.000 0.453 428 D N -0.844 119.557 120.400 0.002 0.000 2.328 428 D HA 0.136 4.777 4.640 0.002 0.000 0.221 428 D C 0.169 176.470 176.300 0.002 0.000 1.072 428 D CA -0.176 53.825 54.000 0.002 0.000 0.850 428 D CB 0.021 40.822 40.800 0.001 0.000 0.922 428 D HN 0.350 nan 8.370 nan 0.000 0.516 429 L N 1.638 122.862 121.223 0.002 0.000 2.456 429 L HA 0.106 4.447 4.340 0.002 0.000 0.272 429 L C 0.069 176.941 176.870 0.003 0.000 1.189 429 L CA 0.542 55.384 54.840 0.003 0.000 0.846 429 L CB 0.296 42.357 42.059 0.003 0.000 1.111 429 L HN -0.216 nan 8.230 nan 0.000 0.475 430 R N 2.928 123.430 120.500 0.003 0.000 2.836 430 R HA 0.731 5.072 4.340 0.002 0.000 0.269 430 R C -0.255 176.047 176.300 0.004 0.000 1.010 430 R CA -0.335 55.767 56.100 0.003 0.000 0.930 430 R CB 1.381 31.683 30.300 0.003 0.000 1.218 430 R HN 0.841 nan 8.270 nan 0.000 0.473 431 G N -0.439 108.364 108.800 0.004 0.000 3.119 431 G HA2 0.228 4.190 3.960 0.002 0.000 0.206 431 G HA3 0.228 4.190 3.960 0.002 0.000 0.206 431 G C -0.032 174.870 174.900 0.004 0.000 1.313 431 G CA -0.287 44.815 45.100 0.005 0.000 1.010 431 G HN 0.396 nan 8.290 nan 0.000 0.578 432 Q N -0.257 119.546 119.800 0.005 0.000 2.435 432 Q HA 0.099 4.441 4.340 0.002 0.000 0.207 432 Q C 0.033 176.035 176.000 0.005 0.000 0.956 432 Q CA 0.719 56.525 55.803 0.005 0.000 0.917 432 Q CB 0.053 28.794 28.738 0.005 0.000 0.997 432 Q HN 0.578 nan 8.270 nan 0.000 0.497 433 N N -2.132 116.571 118.700 0.005 0.000 3.116 433 N HA -0.009 4.732 4.740 0.002 0.000 0.244 433 N C -0.216 175.297 175.510 0.006 0.000 1.485 433 N CA -0.516 52.537 53.050 0.005 0.000 0.884 433 N CB 0.610 39.100 38.487 0.006 0.000 1.415 433 N HN -0.250 nan 8.380 nan 0.000 0.524 434 E N -0.093 120.111 120.200 0.005 0.000 2.204 434 E HA -0.074 4.278 4.350 0.002 0.000 0.194 434 E C 0.112 176.716 176.600 0.007 0.000 0.989 434 E CA 1.600 58.003 56.400 0.006 0.000 0.824 434 E CB -0.301 29.402 29.700 0.005 0.000 0.756 434 E HN 0.654 nan 8.360 nan 0.000 0.477 435 D N -0.031 120.373 120.400 0.007 0.000 2.123 435 D HA -0.198 4.444 4.640 0.002 0.000 0.196 435 D C 1.826 178.131 176.300 0.008 0.000 0.992 435 D CA 1.361 55.366 54.000 0.008 0.000 0.833 435 D CB -0.133 40.672 40.800 0.009 0.000 0.954 435 D HN 0.298 nan 8.370 nan 0.000 0.455 436 Q N -0.101 119.703 119.800 0.008 0.000 2.123 436 Q HA -0.067 4.275 4.340 0.002 0.000 0.199 436 Q C 1.686 177.690 176.000 0.007 0.000 0.966 436 Q CA 0.710 56.517 55.803 0.007 0.000 0.845 436 Q CB 0.018 28.761 28.738 0.007 0.000 0.907 436 Q HN 0.286 nan 8.270 nan 0.000 0.439 437 N N 0.129 118.832 118.700 0.006 0.000 2.120 437 N HA -0.125 4.617 4.740 0.002 0.000 0.188 437 N C 1.840 177.354 175.510 0.006 0.000 1.024 437 N CA 1.041 54.095 53.050 0.006 0.000 0.852 437 N CB -0.321 38.169 38.487 0.005 0.000 1.003 437 N HN 0.052 nan 8.380 nan 0.000 0.424 438 V N 0.888 120.806 119.914 0.007 0.000 2.358 438 V HA -0.116 4.005 4.120 0.002 0.000 0.246 438 V C 2.441 178.540 176.094 0.008 0.000 1.047 438 V CA 1.941 64.246 62.300 0.008 0.000 1.035 438 V CB -1.205 30.623 31.823 0.008 0.000 0.658 438 V HN 0.339 nan 8.190 nan 0.000 0.452 439 G N -0.000 108.805 108.800 0.009 0.000 2.440 439 G HA2 -0.236 3.726 3.960 0.002 0.000 0.218 439 G HA3 -0.236 3.726 3.960 0.002 0.000 0.218 439 G C 1.584 176.489 174.900 0.009 0.000 1.154 439 G CA 1.097 46.203 45.100 0.009 0.000 0.767 439 G HN 0.479 nan 8.290 nan 0.000 0.552 440 I N 0.168 120.743 120.570 0.007 0.000 2.127 440 I HA -0.175 3.997 4.170 0.002 0.000 0.241 440 I C 2.757 178.878 176.117 0.007 0.000 1.075 440 I CA 1.484 62.788 61.300 0.006 0.000 1.334 440 I CB -0.118 37.886 38.000 0.006 0.000 1.040 440 I HN 0.054 nan 8.210 nan 0.000 0.405 441 K N 0.452 120.856 120.400 0.007 0.000 2.097 441 K HA -0.104 4.217 4.320 0.002 0.000 0.206 441 K C 1.917 178.522 176.600 0.008 0.000 1.049 441 K CA 1.023 57.314 56.287 0.007 0.000 0.933 441 K CB -0.322 32.182 32.500 0.006 0.000 0.717 441 K HN 0.086 nan 8.250 nan 0.000 0.442 442 V N 0.587 120.507 119.914 0.009 0.000 2.287 442 V HA -0.291 3.831 4.120 0.002 0.000 0.248 442 V C 2.204 178.304 176.094 0.010 0.000 1.053 442 V CA 2.070 64.376 62.300 0.010 0.000 1.027 442 V CB -0.748 31.082 31.823 0.011 0.000 0.646 442 V HN 0.445 nan 8.190 nan 0.000 0.447 443 A N -0.282 122.543 122.820 0.010 0.000 1.858 443 A HA -0.167 4.154 4.320 0.002 0.000 0.216 443 A C 2.198 179.787 177.584 0.008 0.000 1.190 443 A CA 1.937 53.980 52.037 0.009 0.000 0.617 443 A CB -0.590 18.414 19.000 0.008 0.000 0.827 443 A HN 0.497 nan 8.150 nan 0.000 0.443 444 L N -1.194 120.034 121.223 0.007 0.000 2.046 444 L HA -0.163 4.178 4.340 0.002 0.000 0.208 444 L C 2.788 179.663 176.870 0.009 0.000 1.077 444 L CA 1.700 56.544 54.840 0.008 0.000 0.747 444 L CB -0.505 41.558 42.059 0.007 0.000 0.896 444 L HN 0.459 nan 8.230 nan 0.000 0.432 445 R N 0.532 121.038 120.500 0.009 0.000 2.127 445 R HA -0.178 4.163 4.340 0.002 0.000 0.238 445 R C 2.210 178.517 176.300 0.011 0.000 1.134 445 R CA 1.403 57.509 56.100 0.009 0.000 0.975 445 R CB -0.175 30.130 30.300 0.009 0.000 0.865 445 R HN 0.355 nan 8.270 nan 0.000 0.447 446 A N 0.310 123.137 122.820 0.011 0.000 2.066 446 A HA -0.062 4.260 4.320 0.002 0.000 0.218 446 A C 1.982 179.574 177.584 0.013 0.000 1.157 446 A CA 0.863 52.907 52.037 0.012 0.000 0.670 446 A CB -0.264 18.744 19.000 0.013 0.000 0.804 446 A HN 0.340 nan 8.150 nan 0.000 0.453 447 M N -0.917 118.690 119.600 0.012 0.000 2.549 447 M HA -0.093 4.388 4.480 0.002 0.000 0.260 447 M C 1.828 178.138 176.300 0.017 0.000 1.076 447 M CA 1.161 56.469 55.300 0.013 0.000 1.090 447 M CB -0.144 32.462 32.600 0.011 0.000 1.418 447 M HN 0.555 nan 8.290 nan 0.000 0.486 448 E N 0.532 120.742 120.200 0.017 0.000 2.371 448 E HA -0.059 4.292 4.350 0.002 0.000 0.194 448 E C 1.916 178.527 176.600 0.018 0.000 1.012 448 E CA 0.614 57.026 56.400 0.019 0.000 0.860 448 E CB 0.201 29.912 29.700 0.018 0.000 0.811 448 E HN 0.476 nan 8.360 nan 0.000 0.502 449 A N 1.832 124.662 122.820 0.016 0.000 1.908 449 A HA -0.119 4.202 4.320 0.002 0.000 0.218 449 A C -0.395 177.199 177.584 0.017 0.000 1.181 449 A CA 1.165 53.211 52.037 0.015 0.000 0.627 449 A CB -1.422 17.587 19.000 0.015 0.000 0.818 449 A HN 0.253 nan 8.150 nan 0.000 0.445 450 P HA -0.183 nan 4.420 nan 0.000 0.215 450 P C 1.807 179.121 177.300 0.024 0.000 1.157 450 P CA 0.926 64.039 63.100 0.021 0.000 0.874 450 P CB -0.135 31.578 31.700 0.022 0.000 0.790 451 L N -0.222 121.017 121.223 0.027 0.000 1.994 451 L HA -0.149 4.193 4.340 0.002 0.000 0.208 451 L C 2.242 179.122 176.870 0.017 0.000 1.071 451 L CA 2.066 56.924 54.840 0.031 0.000 0.745 451 L CB -1.021 41.061 42.059 0.039 0.000 0.892 451 L HN -0.049 nan 8.230 nan 0.000 0.431 452 R N -0.677 119.830 120.500 0.012 0.000 2.091 452 R HA -0.191 4.151 4.340 0.002 0.000 0.238 452 R C 2.122 178.424 176.300 0.004 0.000 1.136 452 R CA 1.517 57.619 56.100 0.003 0.000 0.959 452 R CB -0.121 30.181 30.300 0.004 0.000 0.856 452 R HN 0.546 nan 8.270 nan 0.000 0.437 453 Q N 0.213 120.019 119.800 0.010 0.000 2.187 453 Q HA -0.034 4.307 4.340 0.002 0.000 0.199 453 Q C 2.177 178.186 176.000 0.014 0.000 0.957 453 Q CA 0.956 56.766 55.803 0.011 0.000 0.857 453 Q CB -0.051 28.696 28.738 0.014 0.000 0.929 453 Q HN 0.420 nan 8.270 nan 0.000 0.453 454 I N 0.020 120.602 120.570 0.019 0.000 2.142 454 I HA -0.249 3.922 4.170 0.002 0.000 0.240 454 I C 2.190 178.322 176.117 0.025 0.000 1.078 454 I CA 0.973 62.290 61.300 0.028 0.000 1.343 454 I CB -0.286 37.738 38.000 0.040 0.000 1.046 454 I HN -0.044 nan 8.210 nan 0.000 0.405 455 V N 0.525 120.444 119.914 0.009 0.000 2.626 455 V HA -0.236 3.886 4.120 0.002 0.000 0.252 455 V C 2.281 178.365 176.094 -0.017 0.000 1.067 455 V CA 1.275 63.562 62.300 -0.021 0.000 1.081 455 V CB -0.431 31.344 31.823 -0.080 0.000 0.686 455 V HN 0.350 nan 8.190 nan 0.000 0.468 456 L N 0.575 121.794 121.223 -0.007 0.000 2.027 456 L HA -0.117 4.225 4.340 0.002 0.000 0.206 456 L C 2.184 179.057 176.870 0.004 0.000 1.074 456 L CA 1.915 56.753 54.840 -0.003 0.000 0.745 456 L CB -0.921 41.139 42.059 0.000 0.000 0.898 456 L HN 0.307 nan 8.230 nan 0.000 0.433 457 N N -1.032 117.674 118.700 0.010 0.000 2.223 457 N HA -0.199 4.542 4.740 0.002 0.000 0.185 457 N C 1.690 177.210 175.510 0.016 0.000 1.016 457 N CA 1.711 54.769 53.050 0.013 0.000 0.863 457 N CB -0.233 38.264 38.487 0.015 0.000 0.983 457 N HN 0.450 nan 8.380 nan 0.000 0.429 458 C N -0.061 119.252 119.300 0.023 0.000 2.456 458 C HA 0.105 4.566 4.460 0.002 0.000 0.279 458 C C 1.612 176.614 174.990 0.021 0.000 1.427 458 C CA 0.445 59.483 59.018 0.033 0.000 1.778 458 C CB -1.062 26.718 27.740 0.068 0.000 1.842 458 C HN 0.642 nan 8.230 nan 0.000 0.531 459 G N 1.329 110.134 108.800 0.008 0.000 2.182 459 G HA2 -0.165 3.797 3.960 0.002 0.000 0.248 459 G HA3 -0.165 3.797 3.960 0.002 0.000 0.248 459 G C -0.368 174.530 174.900 -0.004 0.000 1.042 459 G CA 0.226 45.328 45.100 0.003 0.000 0.775 459 G HN 0.658 nan 8.290 nan 0.000 0.501 460 E N -0.628 119.561 120.200 -0.018 0.000 2.445 460 E HA 0.455 4.807 4.350 0.002 0.000 0.273 460 E C -0.792 175.778 176.600 -0.051 0.000 0.961 460 E CA -1.156 55.221 56.400 -0.039 0.000 0.807 460 E CB 1.056 30.716 29.700 -0.066 0.000 1.362 460 E HN 0.081 nan 8.360 nan 0.000 0.453 461 E N 1.935 122.100 120.200 -0.058 0.000 2.081 461 E HA 0.074 4.426 4.350 0.002 0.000 0.270 461 E C -1.881 174.687 176.600 -0.053 0.000 1.180 461 E CA -1.619 54.756 56.400 -0.042 0.000 0.926 461 E CB 0.426 30.110 29.700 -0.027 0.000 1.035 461 E HN 0.258 nan 8.360 nan 0.000 0.418 462 P HA -0.169 nan 4.420 nan 0.000 0.216 462 P C 1.566 178.851 177.300 -0.026 0.000 1.153 462 P CA 1.284 64.362 63.100 -0.037 0.000 0.848 462 P CB 0.233 31.921 31.700 -0.019 0.000 0.787 463 S N -1.082 114.609 115.700 -0.015 0.000 2.383 463 S HA -0.106 4.366 4.470 0.002 0.000 0.227 463 S C 1.981 176.579 174.600 -0.004 0.000 1.026 463 S CA 1.404 59.600 58.200 -0.006 0.000 0.981 463 S CB -1.716 61.482 63.200 -0.004 0.000 0.818 463 S HN -0.050 nan 8.310 nan 0.000 0.472 464 V N 1.706 121.616 119.914 -0.008 0.000 2.323 464 V HA -0.076 4.045 4.120 0.002 0.000 0.244 464 V C 2.683 178.788 176.094 0.020 0.000 1.041 464 V CA 1.484 63.787 62.300 0.004 0.000 1.025 464 V CB -0.790 31.036 31.823 0.005 0.000 0.656 464 V HN 0.455 nan 8.190 nan 0.000 0.451 465 V N 0.527 120.431 119.914 -0.016 0.000 2.427 465 V HA -0.213 3.908 4.120 0.002 0.000 0.248 465 V C 2.717 178.840 176.094 0.048 0.000 1.051 465 V CA 1.794 64.086 62.300 -0.014 0.000 1.048 465 V CB -1.175 30.476 31.823 -0.286 0.000 0.666 465 V HN 0.535 nan 8.190 nan 0.000 0.456 466 A N 0.682 123.513 122.820 0.019 0.000 1.877 466 A HA -0.235 4.086 4.320 0.002 0.000 0.216 466 A C 2.083 179.695 177.584 0.045 0.000 1.186 466 A CA 2.133 54.192 52.037 0.037 0.000 0.620 466 A CB -0.661 18.351 19.000 0.019 0.000 0.822 466 A HN 0.573 nan 8.150 nan 0.000 0.443 467 N N -0.193 118.523 118.700 0.027 0.000 2.244 467 N HA -0.115 4.626 4.740 0.002 0.000 0.183 467 N C 1.940 177.453 175.510 0.005 0.000 1.016 467 N CA 2.030 55.087 53.050 0.013 0.000 0.866 467 N CB -0.688 37.799 38.487 0.001 0.000 0.980 467 N HN 0.740 nan 8.380 nan 0.000 0.430 468 T N -1.600 112.960 114.554 0.010 0.000 2.770 468 T HA -0.001 4.351 4.350 0.002 0.000 0.263 468 T C 2.127 176.890 174.700 0.106 0.000 1.039 468 T CA 0.817 62.891 62.100 -0.045 0.000 1.142 468 T CB -0.794 67.936 68.868 -0.228 0.000 0.868 468 T HN -0.109 nan 8.240 nan 0.000 0.435 469 V N 1.973 122.019 119.914 0.220 0.000 2.490 469 V HA -0.132 3.990 4.120 0.002 0.000 0.250 469 V C 2.664 178.877 176.094 0.198 0.000 1.061 469 V CA 1.738 64.222 62.300 0.307 0.000 1.064 469 V CB -0.628 31.336 31.823 0.235 0.000 0.670 469 V HN 0.533 nan 8.190 nan 0.000 0.461 470 K N -0.151 120.308 120.400 0.099 0.000 2.296 470 K HA 0.018 4.340 4.320 0.002 0.000 0.200 470 K C 2.135 178.735 176.600 -0.001 0.000 1.048 470 K CA 1.026 57.341 56.287 0.047 0.000 0.966 470 K CB -0.249 32.267 32.500 0.028 0.000 0.754 470 K HN 0.551 nan 8.250 nan 0.000 0.466 471 G N 1.039 109.818 108.800 -0.036 0.000 2.437 471 G HA2 -0.019 3.942 3.960 0.002 0.000 0.212 471 G HA3 -0.019 3.942 3.960 0.002 0.000 0.212 471 G C 0.656 175.429 174.900 -0.211 0.000 1.174 471 G CA 0.220 45.257 45.100 -0.105 0.000 0.811 471 G HN 0.313 nan 8.290 nan 0.000 0.537 472 G N -0.261 108.303 108.800 -0.393 0.000 2.415 472 G HA2 0.451 4.412 3.960 0.002 0.000 0.269 472 G HA3 0.451 4.412 3.960 0.002 0.000 0.269 472 G C -1.452 173.228 174.900 -0.367 0.000 1.209 472 G CA -0.065 44.559 45.100 -0.794 0.000 0.835 472 G HN 0.194 nan 8.290 nan 0.000 0.534 473 D N -0.563 119.695 120.400 -0.236 0.000 2.523 473 D HA 0.628 5.269 4.640 0.002 0.000 0.236 473 D C 0.813 177.136 176.300 0.040 0.000 1.094 473 D CA 1.006 54.985 54.000 -0.035 0.000 0.942 473 D CB 1.763 42.532 40.800 -0.051 0.000 1.447 473 D HN 1.026 nan 8.370 nan 0.000 0.479 474 G N 1.838 110.674 108.800 0.060 0.000 2.527 474 G HA2 -0.325 3.637 3.960 0.002 0.000 0.262 474 G HA3 -0.325 3.637 3.960 0.002 0.000 0.262 474 G C 0.611 175.571 174.900 0.100 0.000 1.153 474 G CA 0.400 45.539 45.100 0.066 0.000 0.954 474 G HN 0.597 nan 8.290 nan 0.000 0.552 475 N N 0.088 118.849 118.700 0.101 0.000 2.521 475 N HA 0.201 4.942 4.740 0.002 0.000 0.188 475 N C 0.714 176.305 175.510 0.135 0.000 1.146 475 N CA 0.556 53.663 53.050 0.095 0.000 0.893 475 N CB 0.051 38.578 38.487 0.067 0.000 0.975 475 N HN 0.533 nan 8.380 nan 0.000 0.451 476 Y N 1.077 121.401 120.300 0.039 0.000 2.597 476 Y HA 0.321 4.872 4.550 0.002 0.000 0.336 476 Y C 0.930 176.884 175.900 0.090 0.000 1.216 476 Y CA 0.524 58.661 58.100 0.061 0.000 1.463 476 Y CB 0.193 38.680 38.460 0.045 0.000 1.303 476 Y HN 0.049 nan 8.280 nan 0.000 0.576 477 G N 3.447 112.012 108.800 -0.392 0.000 2.561 477 G HA2 0.240 4.202 3.960 0.002 0.000 0.310 477 G HA3 0.240 4.202 3.960 0.002 0.000 0.310 477 G C -2.507 172.285 174.900 -0.181 0.000 1.292 477 G CA -0.934 44.049 45.100 -0.195 0.000 0.811 477 G HN 0.588 nan 8.290 nan 0.000 0.482 478 Y N 1.272 121.492 120.300 -0.133 0.000 2.352 478 Y HA 0.697 5.248 4.550 0.002 0.000 0.339 478 Y C -0.537 175.247 175.900 -0.193 0.000 0.992 478 Y CA -1.319 56.647 58.100 -0.223 0.000 1.100 478 Y CB 1.951 40.289 38.460 -0.203 0.000 1.192 478 Y HN 0.472 nan 8.280 nan 0.000 0.458 479 N N 4.323 122.446 118.700 -0.961 0.000 2.511 479 N HA 0.324 5.066 4.740 0.002 0.000 0.249 479 N C 0.117 175.028 175.510 -1.000 0.000 0.971 479 N CA 0.246 52.862 53.050 -0.723 0.000 0.938 479 N CB 1.595 39.831 38.487 -0.419 0.000 1.131 479 N HN 0.861 nan 8.380 nan 0.000 0.505 480 A N 3.297 125.726 122.820 -0.651 0.000 2.067 480 A HA 0.032 4.353 4.320 0.002 0.000 0.219 480 A C 1.883 179.347 177.584 -0.201 0.000 1.158 480 A CA 1.649 53.500 52.037 -0.311 0.000 0.661 480 A CB -0.420 18.577 19.000 -0.005 0.000 0.801 480 A HN 0.705 nan 8.150 nan 0.000 0.452 481 A N -0.280 122.420 122.820 -0.199 0.000 1.898 481 A HA -0.011 4.310 4.320 0.002 0.000 0.214 481 A C 2.346 179.852 177.584 -0.130 0.000 1.183 481 A CA 2.050 54.010 52.037 -0.128 0.000 0.622 481 A CB -1.111 17.826 19.000 -0.105 0.000 0.824 481 A HN 0.682 nan 8.150 nan 0.000 0.444 482 T N -3.722 110.725 114.554 -0.178 0.000 3.055 482 T HA 0.081 4.433 4.350 0.002 0.000 0.265 482 T C 0.424 175.030 174.700 -0.158 0.000 1.111 482 T CA 1.044 63.053 62.100 -0.152 0.000 1.118 482 T CB -0.068 68.705 68.868 -0.159 0.000 0.909 482 T HN 0.481 nan 8.240 nan 0.000 0.501 483 E N 0.850 120.916 120.200 -0.223 0.000 3.828 483 E HA -0.126 4.226 4.350 0.002 0.000 0.329 483 E C 0.075 176.589 176.600 -0.144 0.000 0.788 483 E CA 1.192 57.514 56.400 -0.131 0.000 1.266 483 E CB -1.980 27.702 29.700 -0.030 0.000 1.643 483 E HN 1.008 nan 8.360 nan 0.000 0.409 484 E N -1.439 118.484 120.200 -0.463 0.000 2.415 484 E HA 0.479 4.831 4.350 0.002 0.000 0.271 484 E C -0.956 175.297 176.600 -0.577 0.000 1.094 484 E CA -0.870 55.305 56.400 -0.375 0.000 0.881 484 E CB 0.694 30.336 29.700 -0.097 0.000 1.581 484 E HN -0.067 nan 8.360 nan 0.000 0.460 485 Y N -0.524 119.761 120.300 -0.026 0.000 2.354 485 Y HA 0.739 5.290 4.550 0.002 0.000 0.322 485 Y C 0.958 176.750 175.900 -0.179 0.000 1.253 485 Y CA 0.658 58.669 58.100 -0.147 0.000 1.272 485 Y CB 1.953 40.361 38.460 -0.087 0.000 1.255 485 Y HN 0.840 nan 8.280 nan 0.000 0.500 486 G N 0.358 109.073 108.800 -0.141 0.000 2.340 486 G HA2 0.045 4.007 3.960 0.002 0.000 0.299 486 G HA3 0.045 4.007 3.960 0.002 0.000 0.299 486 G C -1.898 172.954 174.900 -0.081 0.000 1.291 486 G CA -1.208 43.857 45.100 -0.058 0.000 0.841 486 G HN 0.474 nan 8.290 nan 0.000 0.500 487 N N 0.963 119.668 118.700 0.009 0.000 2.431 487 N HA 0.096 4.838 4.740 0.002 0.000 0.265 487 N C 1.742 177.240 175.510 -0.020 0.000 1.184 487 N CA -0.387 52.676 53.050 0.021 0.000 0.943 487 N CB 0.822 39.335 38.487 0.043 0.000 1.080 487 N HN 0.350 nan 8.380 nan 0.000 0.477 488 M N 3.545 123.131 119.600 -0.023 0.000 2.213 488 M HA -0.138 4.344 4.480 0.002 0.000 0.263 488 M C 1.455 177.742 176.300 -0.021 0.000 1.062 488 M CA 0.914 56.193 55.300 -0.034 0.000 1.105 488 M CB -0.502 32.086 32.600 -0.020 0.000 1.385 488 M HN 0.533 nan 8.290 nan 0.000 0.417 489 I N 0.489 121.056 120.570 -0.005 0.000 2.202 489 I HA -0.224 3.947 4.170 0.002 0.000 0.242 489 I C 1.600 177.712 176.117 -0.008 0.000 1.091 489 I CA 1.564 62.863 61.300 -0.003 0.000 1.368 489 I CB -1.701 36.303 38.000 0.007 0.000 1.058 489 I HN 0.235 nan 8.210 nan 0.000 0.410 490 D N 0.520 120.916 120.400 -0.006 0.000 2.219 490 D HA -0.117 4.524 4.640 0.002 0.000 0.205 490 D C 2.254 178.542 176.300 -0.020 0.000 0.970 490 D CA 0.827 54.822 54.000 -0.009 0.000 0.851 490 D CB -0.108 40.691 40.800 -0.002 0.000 0.943 490 D HN 0.270 nan 8.370 nan 0.000 0.488 491 M N -0.811 118.771 119.600 -0.031 0.000 2.562 491 M HA 0.110 4.591 4.480 0.002 0.000 0.257 491 M C 1.259 177.535 176.300 -0.041 0.000 1.099 491 M CA 0.892 56.165 55.300 -0.046 0.000 1.099 491 M CB 0.350 32.907 32.600 -0.072 0.000 1.427 491 M HN 0.220 nan 8.290 nan 0.000 0.489 492 G N 1.531 110.313 108.800 -0.030 0.000 2.141 492 G HA2 -0.210 3.751 3.960 0.002 0.000 0.231 492 G HA3 -0.210 3.751 3.960 0.002 0.000 0.231 492 G C 0.062 174.948 174.900 -0.025 0.000 0.984 492 G CA -0.486 44.599 45.100 -0.024 0.000 0.660 492 G HN 0.461 nan 8.290 nan 0.000 0.525 493 I N 1.617 122.170 120.570 -0.029 0.000 2.281 493 I HA 0.458 4.630 4.170 0.002 0.000 0.293 493 I C 0.468 176.576 176.117 -0.015 0.000 1.085 493 I CA -0.283 61.001 61.300 -0.028 0.000 1.257 493 I CB 0.556 38.530 38.000 -0.043 0.000 1.430 493 I HN -0.024 nan 8.210 nan 0.000 0.489 494 L N 5.479 126.696 121.223 -0.010 0.000 2.346 494 L HA 0.477 4.818 4.340 0.002 0.000 0.274 494 L C -0.713 176.157 176.870 0.000 0.000 1.007 494 L CA -0.788 54.051 54.840 -0.003 0.000 0.818 494 L CB 2.181 44.238 42.059 -0.002 0.000 1.284 494 L HN 0.401 nan 8.230 nan 0.000 0.424 495 D N 3.692 124.094 120.400 0.003 0.000 2.274 495 D HA 0.252 4.894 4.640 0.002 0.000 0.239 495 D C -2.326 173.976 176.300 0.005 0.000 1.104 495 D CA -1.058 52.945 54.000 0.005 0.000 0.840 495 D CB 1.297 42.100 40.800 0.006 0.000 1.100 495 D HN 0.141 nan 8.370 nan 0.000 0.477 496 P HA 0.051 nan 4.420 nan 0.000 0.274 496 P C 0.592 177.895 177.300 0.005 0.000 1.291 496 P CA -0.242 62.863 63.100 0.008 0.000 0.815 496 P CB 1.057 32.764 31.700 0.013 0.000 0.897 497 T N 3.026 117.581 114.554 0.001 0.000 2.620 497 T HA -0.248 4.104 4.350 0.002 0.000 0.267 497 T C 1.663 176.355 174.700 -0.013 0.000 1.044 497 T CA 1.934 64.031 62.100 -0.005 0.000 1.161 497 T CB -0.389 68.477 68.868 -0.005 0.000 0.862 497 T HN 0.444 nan 8.240 nan 0.000 0.438 498 K N 0.802 121.198 120.400 -0.008 0.000 2.113 498 K HA -0.151 4.171 4.320 0.002 0.000 0.208 498 K C 2.360 178.948 176.600 -0.020 0.000 1.047 498 K CA 1.674 57.953 56.287 -0.014 0.000 0.928 498 K CB -0.349 32.154 32.500 0.005 0.000 0.716 498 K HN 0.403 nan 8.250 nan 0.000 0.446 499 V N -1.669 118.243 119.914 -0.002 0.000 2.323 499 V HA -0.144 3.977 4.120 0.002 0.000 0.244 499 V C 1.817 177.903 176.094 -0.014 0.000 1.041 499 V CA 2.159 64.463 62.300 0.006 0.000 1.025 499 V CB -0.892 30.946 31.823 0.025 0.000 0.656 499 V HN 0.267 nan 8.190 nan 0.000 0.451 500 T N 0.283 114.827 114.554 -0.017 0.000 2.812 500 T HA -0.055 4.297 4.350 0.002 0.000 0.264 500 T C 2.098 176.765 174.700 -0.054 0.000 1.042 500 T CA 1.538 63.624 62.100 -0.024 0.000 1.140 500 T CB -0.404 68.458 68.868 -0.010 0.000 0.870 500 T HN 0.418 nan 8.240 nan 0.000 0.445 501 R N 1.481 121.942 120.500 -0.065 0.000 2.083 501 R HA -0.066 4.276 4.340 0.002 0.000 0.237 501 R C 2.437 178.624 176.300 -0.189 0.000 1.137 501 R CA 1.845 57.887 56.100 -0.097 0.000 0.951 501 R CB -0.851 29.405 30.300 -0.073 0.000 0.851 501 R HN 0.325 nan 8.270 nan 0.000 0.434 502 S N 0.728 116.286 115.700 -0.237 0.000 2.355 502 S HA -0.083 4.388 4.470 0.002 0.000 0.222 502 S C 2.104 176.351 174.600 -0.588 0.000 1.031 502 S CA 1.178 59.059 58.200 -0.530 0.000 0.993 502 S CB -0.377 62.623 63.200 -0.333 0.000 0.859 502 S HN 0.552 nan 8.310 nan 0.000 0.453 503 A N 2.087 124.789 122.820 -0.197 0.000 1.917 503 A HA -0.093 4.229 4.320 0.002 0.000 0.219 503 A C 2.104 179.653 177.584 -0.058 0.000 1.182 503 A CA 1.332 53.342 52.037 -0.044 0.000 0.633 503 A CB -0.807 18.195 19.000 0.004 0.000 0.819 503 A HN 0.436 nan 8.150 nan 0.000 0.448 504 L N -0.333 120.835 121.223 -0.092 0.000 2.056 504 L HA -0.193 4.149 4.340 0.002 0.000 0.207 504 L C 2.423 179.248 176.870 -0.076 0.000 1.078 504 L CA 2.384 57.187 54.840 -0.062 0.000 0.749 504 L CB -1.230 40.796 42.059 -0.056 0.000 0.901 504 L HN 0.551 nan 8.230 nan 0.000 0.433 505 Q N -1.285 118.414 119.800 -0.168 0.000 2.079 505 Q HA -0.218 4.124 4.340 0.002 0.000 0.200 505 Q C 2.078 178.067 176.000 -0.017 0.000 0.974 505 Q CA 1.674 57.393 55.803 -0.141 0.000 0.840 505 Q CB -0.204 28.386 28.738 -0.246 0.000 0.898 505 Q HN 0.489 nan 8.270 nan 0.000 0.430 506 Y N 0.217 120.519 120.300 0.004 0.000 2.242 506 Y HA -0.121 4.431 4.550 0.003 0.000 0.291 506 Y C 2.381 178.283 175.900 0.004 0.000 1.137 506 Y CA 0.593 58.695 58.100 0.003 0.000 1.181 506 Y CB -1.129 37.332 38.460 0.002 0.000 0.989 506 Y HN 0.117 nan 8.280 nan 0.000 0.527 507 A N 0.400 123.305 122.820 0.142 0.000 1.883 507 A HA -0.157 4.165 4.320 0.002 0.000 0.217 507 A C 2.562 180.181 177.584 0.059 0.000 1.186 507 A CA 2.301 54.386 52.037 0.080 0.000 0.624 507 A CB -1.283 17.747 19.000 0.051 0.000 0.822 507 A HN 0.388 nan 8.150 nan 0.000 0.444 508 A N -0.923 121.924 122.820 0.045 0.000 1.883 508 A HA -0.135 4.186 4.320 0.002 0.000 0.217 508 A C 2.519 180.129 177.584 0.043 0.000 1.186 508 A CA 2.387 54.444 52.037 0.033 0.000 0.624 508 A CB -1.062 17.948 19.000 0.018 0.000 0.822 508 A HN 0.596 nan 8.150 nan 0.000 0.444 509 S N -0.809 114.930 115.700 0.065 0.000 2.348 509 S HA -0.126 4.345 4.470 0.002 0.000 0.221 509 S C 1.931 176.561 174.600 0.051 0.000 1.033 509 S CA 1.722 59.961 58.200 0.066 0.000 1.010 509 S CB -0.524 62.739 63.200 0.104 0.000 0.891 509 S HN 0.294 nan 8.310 nan 0.000 0.442 510 V N 2.135 122.084 119.914 0.058 0.000 2.358 510 V HA -0.078 4.043 4.120 0.002 0.000 0.246 510 V C 2.839 178.950 176.094 0.029 0.000 1.047 510 V CA 1.708 64.029 62.300 0.036 0.000 1.035 510 V CB -1.309 30.534 31.823 0.035 0.000 0.658 510 V HN 0.609 nan 8.190 nan 0.000 0.452 511 A N 0.589 123.428 122.820 0.033 0.000 1.873 511 A HA -0.060 4.261 4.320 0.002 0.000 0.215 511 A C 2.412 180.010 177.584 0.023 0.000 1.186 511 A CA 1.824 53.877 52.037 0.026 0.000 0.616 511 A CB -1.205 17.811 19.000 0.027 0.000 0.823 511 A HN 0.520 nan 8.150 nan 0.000 0.442 512 G N -0.455 108.360 108.800 0.024 0.000 2.448 512 G HA2 -0.082 3.879 3.960 0.002 0.000 0.219 512 G HA3 -0.082 3.879 3.960 0.002 0.000 0.219 512 G C 1.523 176.434 174.900 0.018 0.000 1.127 512 G CA 0.970 46.082 45.100 0.021 0.000 0.766 512 G HN 0.425 nan 8.290 nan 0.000 0.552 513 L N -0.444 120.790 121.223 0.018 0.000 2.023 513 L HA 0.071 4.413 4.340 0.002 0.000 0.205 513 L C 2.847 179.723 176.870 0.010 0.000 1.073 513 L CA 1.190 56.037 54.840 0.012 0.000 0.745 513 L CB -0.374 41.691 42.059 0.010 0.000 0.900 513 L HN 0.238 nan 8.230 nan 0.000 0.435 514 M N 0.791 120.398 119.600 0.012 0.000 2.108 514 M HA -0.236 4.246 4.480 0.002 0.000 0.261 514 M C 2.272 178.580 176.300 0.014 0.000 1.066 514 M CA 1.946 57.253 55.300 0.011 0.000 1.107 514 M CB -0.249 32.359 32.600 0.014 0.000 1.356 514 M HN 0.337 nan 8.290 nan 0.000 0.406 515 I N -1.625 118.955 120.570 0.016 0.000 2.850 515 I HA -0.151 4.020 4.170 0.002 0.000 0.266 515 I C 1.890 178.017 176.117 0.018 0.000 1.257 515 I CA 1.554 62.864 61.300 0.018 0.000 1.465 515 I CB -1.362 36.649 38.000 0.018 0.000 1.091 515 I HN 0.368 nan 8.210 nan 0.000 0.467 516 T N -1.691 112.872 114.554 0.015 0.000 3.072 516 T HA -0.002 4.349 4.350 0.002 0.000 0.266 516 T C 0.946 175.654 174.700 0.014 0.000 1.127 516 T CA 0.418 62.527 62.100 0.014 0.000 1.107 516 T CB -1.165 67.709 68.868 0.010 0.000 0.910 516 T HN 0.361 nan 8.240 nan 0.000 0.513 517 T N 2.967 117.529 114.554 0.013 0.000 2.761 517 T HA 0.174 4.526 4.350 0.002 0.000 0.287 517 T C 0.746 175.459 174.700 0.022 0.000 0.931 517 T CA 0.015 62.122 62.100 0.011 0.000 1.164 517 T CB 1.001 69.878 68.868 0.015 0.000 0.876 517 T HN 0.303 nan 8.240 nan 0.000 0.534 518 E N 1.202 121.413 120.200 0.019 0.000 2.447 518 E HA 0.216 4.567 4.350 0.002 0.000 0.204 518 E C 0.080 176.689 176.600 0.015 0.000 0.977 518 E CA -0.019 56.408 56.400 0.046 0.000 0.950 518 E CB 0.471 30.213 29.700 0.070 0.000 0.975 518 E HN 0.651 nan 8.360 nan 0.000 0.496 519 C N -0.140 119.113 119.300 -0.079 0.000 3.170 519 C HA 0.699 5.160 4.460 0.002 0.000 0.319 519 C C -1.626 173.280 174.990 -0.140 0.000 1.260 519 C CA -0.742 58.131 59.018 -0.242 0.000 1.374 519 C CB 0.658 28.039 27.740 -0.599 0.000 1.739 519 C HN 0.262 nan 8.230 nan 0.000 0.479 520 M N 4.358 123.906 119.600 -0.086 0.000 2.327 520 M HA 0.611 5.092 4.480 0.002 0.000 0.298 520 M C -1.195 175.124 176.300 0.031 0.000 1.065 520 M CA -0.498 54.813 55.300 0.017 0.000 0.916 520 M CB 2.098 34.822 32.600 0.207 0.000 1.630 520 M HN 0.383 nan 8.290 nan 0.000 0.442 521 V N 1.269 121.132 119.914 -0.085 0.000 2.588 521 V HA 0.850 4.972 4.120 0.002 0.000 0.304 521 V C -0.386 175.592 176.094 -0.193 0.000 1.042 521 V CA -0.448 61.800 62.300 -0.086 0.000 0.877 521 V CB 2.087 33.865 31.823 -0.075 0.000 0.996 521 V HN 0.933 nan 8.190 nan 0.000 0.425 522 T N 2.028 116.457 114.554 -0.208 0.000 2.840 522 T HA 0.339 4.691 4.350 0.002 0.000 0.317 522 T C -1.787 172.832 174.700 -0.135 0.000 1.401 522 T CA -0.516 61.428 62.100 -0.261 0.000 1.028 522 T CB 1.922 70.466 68.868 -0.539 0.000 1.317 522 T HN 0.784 nan 8.240 nan 0.000 0.495 523 D N 1.935 122.269 120.400 -0.110 0.000 2.312 523 D HA 0.449 5.091 4.640 0.002 0.000 0.252 523 D C 0.440 176.722 176.300 -0.030 0.000 1.150 523 D CA -0.196 53.772 54.000 -0.054 0.000 0.870 523 D CB 0.491 41.260 40.800 -0.052 0.000 1.153 523 D HN 0.423 nan 8.370 nan 0.000 0.457 524 L N 4.900 126.125 121.223 0.002 0.000 2.516 524 L HA 0.132 4.474 4.340 0.002 0.000 0.288 524 L C -1.343 175.541 176.870 0.024 0.000 1.246 524 L CA -1.150 53.708 54.840 0.029 0.000 0.844 524 L CB -0.162 41.916 42.059 0.031 0.000 1.106 524 L HN 0.470 nan 8.230 nan 0.000 0.509 525 P HA 0.438 nan 4.420 nan 0.000 0.275 525 P C -0.722 176.592 177.300 0.023 0.000 1.270 525 P CA -0.248 62.872 63.100 0.033 0.000 0.791 525 P CB 0.850 32.579 31.700 0.049 0.000 1.089 526 K N 0.000 120.411 120.400 0.019 0.000 2.780 526 K HA 0.000 4.321 4.320 0.002 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543