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 1kpo_1_Q 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 KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK 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 0.000 177.584 177.584 0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 3 A N 1.269 124.088 122.820 -0.002 0.000 2.567 3 A HA 0.383 4.703 4.320 -0.000 0.000 0.263 3 A C 0.438 178.019 177.584 -0.005 0.000 1.030 3 A CA 0.717 52.752 52.037 -0.003 0.000 0.833 3 A CB -0.702 18.294 19.000 -0.007 0.000 0.924 3 A HN 0.558 nan 8.150 nan 0.000 0.518 4 K N 1.853 122.255 120.400 0.004 0.000 2.109 4 K HA 0.419 4.739 4.320 -0.000 0.000 0.243 4 K C -0.566 176.036 176.600 0.005 0.000 1.006 4 K CA -0.640 55.652 56.287 0.008 0.000 0.917 4 K CB 0.894 33.409 32.500 0.026 0.000 1.081 4 K HN 0.730 nan 8.250 nan 0.000 0.468 5 D N 0.267 120.676 120.400 0.015 0.000 2.362 5 D HA 0.410 5.050 4.640 -0.000 0.000 0.247 5 D C -1.487 174.876 176.300 0.106 0.000 1.050 5 D CA -0.684 53.331 54.000 0.025 0.000 0.839 5 D CB 1.463 42.239 40.800 -0.039 0.000 1.283 5 D HN 0.047 nan 8.370 nan 0.000 0.477 6 V N 3.906 123.834 119.914 0.023 0.000 2.577 6 V HA 0.445 4.565 4.120 -0.000 0.000 0.303 6 V C -0.234 175.629 176.094 -0.386 0.000 1.042 6 V CA -0.752 61.471 62.300 -0.129 0.000 0.872 6 V CB 1.998 33.704 31.823 -0.195 0.000 0.998 6 V HN 0.453 nan 8.190 nan 0.000 0.423 7 K N 3.526 123.631 120.400 -0.492 0.000 2.318 7 K HA 0.818 5.138 4.320 -0.000 0.000 0.249 7 K C -1.702 174.540 176.600 -0.598 0.000 0.942 7 K CA -0.500 55.445 56.287 -0.570 0.000 0.808 7 K CB 2.335 34.619 32.500 -0.360 0.000 1.189 7 K HN 0.443 nan 8.250 nan 0.000 0.428 8 F N -0.207 119.693 119.950 -0.083 0.000 2.620 8 F HA 0.586 5.113 4.527 -0.000 0.000 0.320 8 F C 0.888 176.651 175.800 -0.062 0.000 1.069 8 F CA -0.474 57.482 58.000 -0.074 0.000 0.953 8 F CB 1.267 40.241 39.000 -0.042 0.000 1.322 8 F HN 0.770 nan 8.300 nan 0.000 0.479 9 G N 1.369 110.268 108.800 0.164 0.000 2.601 9 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G C 0.814 175.731 174.900 0.028 0.000 1.289 9 G CA 0.400 45.544 45.100 0.073 0.000 0.920 9 G HN 0.829 nan 8.290 nan 0.000 0.571 10 N N 0.276 118.988 118.700 0.020 0.000 2.100 10 N HA -0.280 4.460 4.740 -0.000 0.000 0.199 10 N C 1.736 177.242 175.510 -0.007 0.000 1.017 10 N CA 2.303 55.357 53.050 0.006 0.000 0.890 10 N CB -0.396 38.097 38.487 0.011 0.000 1.080 10 N HN 0.700 nan 8.380 nan 0.000 0.525 11 D N 0.740 121.137 120.400 -0.004 0.000 2.355 11 D HA -0.269 4.371 4.640 -0.000 0.000 0.192 11 D C 1.817 178.070 176.300 -0.077 0.000 1.014 11 D CA 1.909 55.897 54.000 -0.020 0.000 0.862 11 D CB -0.813 39.977 40.800 -0.017 0.000 0.986 11 D HN 0.440 nan 8.370 nan 0.000 0.456 12 A N -0.072 122.669 122.820 -0.132 0.000 2.042 12 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 12 A C 2.114 179.600 177.584 -0.163 0.000 1.167 12 A CA 1.979 53.870 52.037 -0.243 0.000 0.649 12 A CB -0.387 18.508 19.000 -0.175 0.000 0.809 12 A HN 0.194 nan 8.150 nan 0.000 0.457 13 R N -1.158 119.295 120.500 -0.078 0.000 2.072 13 R HA 0.022 4.362 4.340 -0.000 0.000 0.214 13 R C 2.229 178.513 176.300 -0.026 0.000 1.168 13 R CA 1.071 57.143 56.100 -0.046 0.000 1.020 13 R CB -0.722 29.564 30.300 -0.023 0.000 0.914 13 R HN 0.497 nan 8.270 nan 0.000 0.449 14 V N 0.923 120.829 119.914 -0.014 0.000 2.363 14 V HA -0.303 3.817 4.120 -0.000 0.000 0.254 14 V C 1.869 177.970 176.094 0.012 0.000 1.074 14 V CA 1.710 64.011 62.300 0.002 0.000 1.069 14 V CB -0.543 31.285 31.823 0.009 0.000 0.659 14 V HN 0.151 nan 8.190 nan 0.000 0.455 15 K N -0.095 120.312 120.400 0.012 0.000 2.002 15 K HA -0.026 4.294 4.320 -0.000 0.000 0.209 15 K C 2.277 178.900 176.600 0.039 0.000 1.048 15 K CA 2.135 58.454 56.287 0.053 0.000 0.930 15 K CB -0.568 31.995 32.500 0.104 0.000 0.714 15 K HN 0.546 nan 8.250 nan 0.000 0.438 16 M N 0.490 120.091 119.600 0.003 0.000 2.080 16 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 16 M C 2.226 178.532 176.300 0.010 0.000 1.068 16 M CA 1.229 56.532 55.300 0.005 0.000 1.109 16 M CB -0.412 32.178 32.600 -0.018 0.000 1.342 16 M HN 0.070 nan 8.290 nan 0.000 0.405 17 L N 0.721 121.947 121.223 0.006 0.000 1.943 17 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 17 L C 2.438 179.315 176.870 0.012 0.000 1.074 17 L CA 2.079 56.923 54.840 0.007 0.000 0.759 17 L CB -1.011 41.050 42.059 0.005 0.000 0.888 17 L HN 0.148 nan 8.230 nan 0.000 0.433 18 R N 0.345 120.854 120.500 0.015 0.000 2.153 18 R HA -0.142 4.197 4.340 -0.000 0.000 0.252 18 R C 2.116 178.428 176.300 0.019 0.000 1.158 18 R CA 1.863 57.973 56.100 0.017 0.000 0.975 18 R CB -1.570 28.743 30.300 0.022 0.000 0.871 18 R HN 0.619 nan 8.270 nan 0.000 0.450 19 G N -0.573 108.242 108.800 0.026 0.000 2.408 19 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 19 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 19 G C 1.422 176.333 174.900 0.017 0.000 1.150 19 G CA 1.067 46.183 45.100 0.027 0.000 0.776 19 G HN 0.380 nan 8.290 nan 0.000 0.542 20 V N -1.161 118.761 119.914 0.014 0.000 2.649 20 V HA 0.010 4.130 4.120 -0.000 0.000 0.248 20 V C 2.186 178.284 176.094 0.006 0.000 1.054 20 V CA 1.618 63.923 62.300 0.009 0.000 1.073 20 V CB -0.628 31.200 31.823 0.007 0.000 0.699 20 V HN 0.132 nan 8.190 nan 0.000 0.463 21 N N 1.041 119.746 118.700 0.007 0.000 2.322 21 N HA -0.137 4.603 4.740 -0.000 0.000 0.189 21 N C 1.621 177.133 175.510 0.003 0.000 1.012 21 N CA 1.694 54.747 53.050 0.005 0.000 0.880 21 N CB -0.443 38.047 38.487 0.005 0.000 0.967 21 N HN 0.531 nan 8.380 nan 0.000 0.439 22 V N 0.658 120.575 119.914 0.004 0.000 2.256 22 V HA -0.132 3.988 4.120 -0.000 0.000 0.240 22 V C 2.315 178.410 176.094 0.000 0.000 1.036 22 V CA 0.846 63.147 62.300 0.002 0.000 1.008 22 V CB -0.649 31.175 31.823 0.003 0.000 0.648 22 V HN 0.179 nan 8.190 nan 0.000 0.453 23 L N 0.749 121.973 121.223 0.001 0.000 2.103 23 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 23 L C 2.197 179.066 176.870 -0.001 0.000 1.080 23 L CA 2.532 57.371 54.840 -0.001 0.000 0.764 23 L CB -0.943 41.116 42.059 -0.001 0.000 0.890 23 L HN 0.288 nan 8.230 nan 0.000 0.435 24 A N -0.936 121.884 122.820 -0.000 0.000 1.823 24 A HA -0.150 4.170 4.320 -0.000 0.000 0.214 24 A C 1.963 179.546 177.584 -0.002 0.000 1.225 24 A CA 1.287 53.324 52.037 -0.000 0.000 0.604 24 A CB -1.103 17.898 19.000 0.001 0.000 0.878 24 A HN 0.465 nan 8.150 nan 0.000 0.450 25 D N 0.297 120.696 120.400 -0.002 0.000 2.276 25 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 25 D C 1.584 177.882 176.300 -0.004 0.000 1.004 25 D CA 1.594 55.592 54.000 -0.003 0.000 0.898 25 D CB -0.261 40.538 40.800 -0.002 0.000 0.906 25 D HN 0.430 nan 8.370 nan 0.000 0.457 26 A N -0.433 122.385 122.820 -0.003 0.000 2.337 26 A HA 0.278 4.598 4.320 -0.000 0.000 0.227 26 A C 1.639 179.220 177.584 -0.005 0.000 1.259 26 A CA -0.021 52.013 52.037 -0.004 0.000 0.870 26 A CB 0.534 19.531 19.000 -0.005 0.000 0.927 26 A HN 0.128 nan 8.150 nan 0.000 0.497 27 V N -0.852 119.059 119.914 -0.005 0.000 3.180 27 V HA -0.029 4.091 4.120 -0.000 0.000 0.246 27 V C 1.636 177.728 176.094 -0.004 0.000 1.545 27 V CA 0.853 63.150 62.300 -0.005 0.000 1.138 27 V CB 0.034 31.855 31.823 -0.005 0.000 0.978 27 V HN 0.668 nan 8.190 nan 0.000 0.437 28 K N 2.273 122.671 120.400 -0.004 0.000 2.665 28 K HA -0.001 4.319 4.320 -0.000 0.000 0.196 28 K C 1.200 177.796 176.600 -0.007 0.000 1.021 28 K CA 1.450 57.734 56.287 -0.005 0.000 1.066 28 K CB -0.151 32.346 32.500 -0.005 0.000 0.849 28 K HN 0.525 nan 8.250 nan 0.000 0.500 29 V N -2.784 117.126 119.914 -0.006 0.000 2.908 29 V HA -0.034 4.086 4.120 -0.000 0.000 0.240 29 V C 2.111 178.201 176.094 -0.005 0.000 1.117 29 V CA 0.754 63.050 62.300 -0.006 0.000 1.133 29 V CB -0.268 31.552 31.823 -0.006 0.000 0.857 29 V HN 0.433 nan 8.190 nan 0.000 0.478 30 T N -0.542 114.010 114.554 -0.005 0.000 3.400 30 T HA 0.120 4.470 4.350 -0.000 0.000 0.254 30 T C 0.435 175.133 174.700 -0.004 0.000 1.153 30 T CA 0.134 62.232 62.100 -0.004 0.000 1.012 30 T CB -0.964 67.901 68.868 -0.004 0.000 0.994 30 T HN 0.276 nan 8.240 nan 0.000 0.555 31 L N 2.232 123.453 121.223 -0.004 0.000 2.361 31 L HA 0.581 4.921 4.340 -0.000 0.000 0.278 31 L C 0.997 177.866 176.870 -0.002 0.000 1.113 31 L CA 1.483 56.321 54.840 -0.004 0.000 0.849 31 L CB -0.317 41.739 42.059 -0.006 0.000 1.155 31 L HN 0.647 nan 8.230 nan 0.000 0.452 32 G N 5.040 113.841 108.800 0.000 0.000 2.542 32 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.235 32 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.235 32 G C -1.986 172.916 174.900 0.004 0.000 1.286 32 G CA -0.069 45.033 45.100 0.004 0.000 0.904 32 G HN 0.593 nan 8.290 nan 0.000 0.577 33 P HA 0.212 nan 4.420 nan 0.000 0.226 33 P C 0.901 178.204 177.300 0.004 0.000 1.160 33 P CA 0.851 63.953 63.100 0.005 0.000 0.837 33 P CB 0.221 31.925 31.700 0.006 0.000 0.860 34 K N 1.071 121.475 120.400 0.007 0.000 2.596 34 K HA 0.279 4.599 4.320 -0.000 0.000 0.211 34 K C 0.994 177.595 176.600 0.002 0.000 1.046 34 K CA -0.149 56.142 56.287 0.006 0.000 1.202 34 K CB -0.352 32.155 32.500 0.011 0.000 0.925 34 K HN 0.107 nan 8.250 nan 0.000 0.486 35 G N 1.375 110.175 108.800 0.001 0.000 2.483 35 G HA2 0.152 4.112 3.960 -0.000 0.000 0.248 35 G HA3 0.152 4.112 3.960 -0.000 0.000 0.248 35 G C 0.206 175.105 174.900 -0.002 0.000 1.248 35 G CA -0.453 44.646 45.100 -0.001 0.000 0.838 35 G HN 0.072 nan 8.290 nan 0.000 0.566 36 R N 0.788 121.286 120.500 -0.003 0.000 2.541 36 R HA 0.286 4.626 4.340 -0.000 0.000 0.254 36 R C -0.270 176.029 176.300 -0.003 0.000 1.130 36 R CA -0.910 55.189 56.100 -0.003 0.000 1.152 36 R CB 0.062 30.360 30.300 -0.003 0.000 1.222 36 R HN 0.581 nan 8.270 nan 0.000 0.579 37 N N -1.071 117.628 118.700 -0.002 0.000 2.443 37 N HA 0.385 5.125 4.740 -0.000 0.000 0.295 37 N C -1.152 174.356 175.510 -0.003 0.000 1.076 37 N CA -0.516 52.532 53.050 -0.003 0.000 0.919 37 N CB 1.796 40.282 38.487 -0.002 0.000 1.176 37 N HN 0.085 nan 8.380 nan 0.000 0.487 38 V N 2.011 121.923 119.914 -0.004 0.000 2.487 38 V HA 0.370 4.490 4.120 -0.000 0.000 0.298 38 V C -0.516 175.576 176.094 -0.004 0.000 1.028 38 V CA -0.824 61.474 62.300 -0.004 0.000 0.860 38 V CB 1.736 33.555 31.823 -0.005 0.000 0.991 38 V HN 0.375 nan 8.190 nan 0.000 0.427 39 V N 6.342 126.253 119.914 -0.005 0.000 2.383 39 V HA 0.431 4.551 4.120 -0.000 0.000 0.275 39 V C -0.070 176.020 176.094 -0.007 0.000 1.036 39 V CA -0.458 61.839 62.300 -0.005 0.000 0.889 39 V CB 1.199 33.020 31.823 -0.004 0.000 0.985 39 V HN 0.626 nan 8.190 nan 0.000 0.459 40 L N 3.631 124.850 121.223 -0.007 0.000 2.321 40 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 40 L C 0.148 177.010 176.870 -0.013 0.000 1.050 40 L CA -0.492 54.342 54.840 -0.011 0.000 0.893 40 L CB 0.875 42.928 42.059 -0.010 0.000 1.272 40 L HN 0.622 nan 8.230 nan 0.000 0.435 41 D N 3.174 123.565 120.400 -0.016 0.000 2.571 41 D HA -0.027 4.613 4.640 -0.000 0.000 0.231 41 D C -0.025 176.258 176.300 -0.028 0.000 1.133 41 D CA 1.066 55.054 54.000 -0.020 0.000 0.862 41 D CB 0.893 41.679 40.800 -0.024 0.000 1.179 41 D HN 0.337 nan 8.370 nan 0.000 0.474 42 K N 0.999 121.382 120.400 -0.028 0.000 2.258 42 K HA 0.364 4.684 4.320 -0.000 0.000 0.236 42 K C 1.025 177.583 176.600 -0.071 0.000 1.008 42 K CA -0.596 55.668 56.287 -0.039 0.000 0.869 42 K CB 1.236 33.730 32.500 -0.011 0.000 1.171 42 K HN 0.547 nan 8.250 nan 0.000 0.447 43 S N 0.765 116.382 115.700 -0.139 0.000 2.309 43 S HA 0.053 4.523 4.470 -0.000 0.000 0.206 43 S C 0.461 174.946 174.600 -0.192 0.000 1.028 43 S CA 0.453 58.481 58.200 -0.285 0.000 0.972 43 S CB -0.334 62.526 63.200 -0.567 0.000 0.961 43 S HN 0.365 nan 8.310 nan 0.000 0.449 44 F N 3.152 123.100 119.950 -0.002 0.000 2.404 44 F HA 0.708 5.235 4.527 -0.000 0.000 0.358 44 F C 1.234 177.033 175.800 -0.002 0.000 1.120 44 F CA 0.036 58.035 58.000 -0.002 0.000 1.144 44 F CB 0.576 39.575 39.000 -0.002 0.000 1.133 44 F HN 0.810 nan 8.300 nan 0.000 0.495 45 G N 1.322 110.234 108.800 0.187 0.000 2.352 45 G HA2 0.382 4.342 3.960 -0.000 0.000 0.324 45 G HA3 0.382 4.342 3.960 -0.000 0.000 0.324 45 G C -1.472 173.466 174.900 0.063 0.000 1.249 45 G CA -0.589 44.572 45.100 0.102 0.000 1.053 45 G HN 0.894 nan 8.290 nan 0.000 0.492 46 A N 0.499 123.345 122.820 0.042 0.000 2.304 46 A HA 0.868 5.188 4.320 -0.000 0.000 0.301 46 A C -1.629 175.966 177.584 0.019 0.000 1.132 46 A CA -0.754 51.299 52.037 0.027 0.000 0.819 46 A CB 0.138 19.151 19.000 0.021 0.000 1.094 46 A HN 0.671 nan 8.150 nan 0.000 0.492 47 P HA 0.159 nan 4.420 nan 0.000 0.270 47 P C -0.290 177.013 177.300 0.005 0.000 1.221 47 P CA 0.344 63.447 63.100 0.004 0.000 0.788 47 P CB 0.338 32.040 31.700 0.002 0.000 0.904 48 T N 1.821 116.376 114.554 0.001 0.000 2.771 48 T HA 0.537 4.887 4.350 -0.000 0.000 0.281 48 T C 0.088 174.788 174.700 -0.000 0.000 0.982 48 T CA -0.336 61.765 62.100 0.002 0.000 0.978 48 T CB 0.201 69.069 68.868 0.001 0.000 0.930 48 T HN 0.158 nan 8.240 nan 0.000 0.447 49 I N 2.767 123.337 120.570 0.001 0.000 2.339 49 I HA 0.569 4.739 4.170 -0.000 0.000 0.290 49 I C 0.419 176.536 176.117 -0.000 0.000 0.994 49 I CA -0.469 60.831 61.300 -0.000 0.000 1.191 49 I CB 1.680 39.680 38.000 0.001 0.000 1.343 49 I HN 0.517 nan 8.210 nan 0.000 0.458 50 T N 4.274 118.827 114.554 -0.002 0.000 2.762 50 T HA 0.410 4.760 4.350 -0.000 0.000 0.301 50 T C -0.280 174.418 174.700 -0.003 0.000 1.299 50 T CA -0.565 61.534 62.100 -0.002 0.000 1.005 50 T CB 1.821 70.687 68.868 -0.003 0.000 1.377 50 T HN 0.675 nan 8.240 nan 0.000 0.504 51 K N 0.784 121.182 120.400 -0.003 0.000 2.536 51 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 51 K C -0.851 175.746 176.600 -0.005 0.000 1.063 51 K CA -0.257 56.028 56.287 -0.004 0.000 1.063 51 K CB 0.626 33.124 32.500 -0.003 0.000 0.843 51 K HN 0.366 nan 8.250 nan 0.000 0.521 52 D N 0.905 121.301 120.400 -0.006 0.000 2.483 52 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 52 D C 1.316 177.611 176.300 -0.008 0.000 1.173 52 D CA -0.077 53.918 54.000 -0.008 0.000 0.964 52 D CB 0.677 41.472 40.800 -0.008 0.000 1.046 52 D HN 0.276 nan 8.370 nan 0.000 0.517 53 G N 2.091 110.887 108.800 -0.008 0.000 2.581 53 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.223 53 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.223 53 G C 1.439 176.333 174.900 -0.010 0.000 1.094 53 G CA 0.904 45.999 45.100 -0.008 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.461 120.368 119.914 -0.012 0.000 2.302 54 V HA -0.124 3.996 4.120 -0.000 0.000 0.243 54 V C 2.987 179.073 176.094 -0.013 0.000 1.036 54 V CA 2.105 64.396 62.300 -0.015 0.000 1.020 54 V CB -0.548 31.264 31.823 -0.018 0.000 0.657 54 V HN 0.365 nan 8.190 nan 0.000 0.453 55 S N -0.063 115.630 115.700 -0.012 0.000 2.399 55 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 55 S C 1.985 176.579 174.600 -0.010 0.000 1.022 55 S CA 1.321 59.515 58.200 -0.011 0.000 0.983 55 S CB -0.157 63.038 63.200 -0.008 0.000 0.803 55 S HN 0.355 nan 8.310 nan 0.000 0.480 56 V N 1.657 121.565 119.914 -0.010 0.000 2.515 56 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 56 V C 2.448 178.536 176.094 -0.010 0.000 1.058 56 V CA 1.509 63.803 62.300 -0.009 0.000 1.064 56 V CB -1.066 30.752 31.823 -0.008 0.000 0.675 56 V HN 0.523 nan 8.190 nan 0.000 0.461 57 A N -0.208 122.605 122.820 -0.011 0.000 1.825 57 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 57 A C 2.333 179.909 177.584 -0.013 0.000 1.206 57 A CA 1.621 53.651 52.037 -0.012 0.000 0.609 57 A CB -0.662 18.330 19.000 -0.014 0.000 0.851 57 A HN 0.380 nan 8.150 nan 0.000 0.445 58 R N -0.264 120.228 120.500 -0.014 0.000 2.208 58 R HA -0.190 4.150 4.340 -0.000 0.000 0.262 58 R C 0.962 177.253 176.300 -0.015 0.000 1.166 58 R CA 1.713 57.804 56.100 -0.015 0.000 0.987 58 R CB -0.323 29.968 30.300 -0.015 0.000 0.887 58 R HN 0.514 nan 8.270 nan 0.000 0.459 59 E N 0.076 120.267 120.200 -0.015 0.000 2.416 59 E HA 0.061 4.411 4.350 -0.000 0.000 0.189 59 E C 0.125 176.716 176.600 -0.015 0.000 1.091 59 E CA 0.187 56.578 56.400 -0.016 0.000 0.889 59 E CB 0.166 29.856 29.700 -0.016 0.000 1.015 59 E HN 0.224 nan 8.360 nan 0.000 0.479 60 I N 1.059 121.621 120.570 -0.013 0.000 2.437 60 I HA 0.310 4.480 4.170 -0.000 0.000 0.298 60 I C 0.148 176.258 176.117 -0.010 0.000 0.984 60 I CA -0.343 60.950 61.300 -0.011 0.000 1.214 60 I CB 1.453 39.448 38.000 -0.009 0.000 1.365 60 I HN -0.023 nan 8.210 nan 0.000 0.469 61 E N 6.499 126.693 120.200 -0.010 0.000 2.879 61 E HA 0.275 4.625 4.350 -0.000 0.000 0.345 61 E C -1.911 174.683 176.600 -0.010 0.000 0.955 61 E CA -0.425 55.970 56.400 -0.009 0.000 0.801 61 E CB 1.161 30.854 29.700 -0.013 0.000 1.324 61 E HN 0.441 nan 8.360 nan 0.000 0.417 62 L N 2.791 124.010 121.223 -0.006 0.000 2.448 62 L HA 0.413 4.753 4.340 -0.000 0.000 0.258 62 L C 1.648 178.508 176.870 -0.016 0.000 1.104 62 L CA -0.468 54.367 54.840 -0.008 0.000 0.800 62 L CB 0.722 42.781 42.059 0.000 0.000 1.241 62 L HN 0.742 nan 8.230 nan 0.000 0.472 63 E N 0.338 120.526 120.200 -0.020 0.000 2.011 63 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 63 E C 0.446 177.018 176.600 -0.046 0.000 0.980 63 E CA 0.184 56.565 56.400 -0.032 0.000 0.814 63 E CB 0.125 29.806 29.700 -0.031 0.000 0.775 63 E HN 0.690 nan 8.360 nan 0.000 0.454 64 D N 1.318 121.692 120.400 -0.043 0.000 2.433 64 D HA -0.111 4.529 4.640 -0.000 0.000 0.274 64 D C 0.646 176.899 176.300 -0.077 0.000 1.344 64 D CA 0.174 54.133 54.000 -0.069 0.000 0.989 64 D CB 0.522 41.305 40.800 -0.028 0.000 1.116 64 D HN 0.124 nan 8.370 nan 0.000 0.533 65 K N 3.354 123.659 120.400 -0.158 0.000 2.184 65 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 65 K C 1.689 178.288 176.600 -0.001 0.000 1.048 65 K CA 1.356 57.554 56.287 -0.148 0.000 0.931 65 K CB -0.364 31.966 32.500 -0.284 0.000 0.718 65 K HN 0.462 nan 8.250 nan 0.000 0.465 66 F N 1.362 121.300 119.950 -0.021 0.000 2.074 66 F HA -0.017 4.510 4.527 -0.000 0.000 0.290 66 F C 2.476 178.267 175.800 -0.014 0.000 1.118 66 F CA 0.597 58.585 58.000 -0.019 0.000 1.199 66 F CB -1.134 37.852 39.000 -0.024 0.000 1.012 66 F HN 0.085 nan 8.300 nan 0.000 0.472 67 E N 0.274 120.593 120.200 0.197 0.000 2.108 67 E HA -0.350 4.000 4.350 -0.000 0.000 0.203 67 E C 1.886 178.530 176.600 0.072 0.000 1.022 67 E CA 1.863 58.323 56.400 0.100 0.000 0.823 67 E CB -0.665 29.072 29.700 0.061 0.000 0.744 67 E HN 0.413 nan 8.360 nan 0.000 0.456 68 N N 0.553 119.289 118.700 0.061 0.000 2.069 68 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 68 N C 1.920 177.460 175.510 0.049 0.000 1.031 68 N CA 1.530 54.604 53.050 0.039 0.000 0.852 68 N CB -0.059 38.441 38.487 0.022 0.000 1.018 68 N HN 0.079 nan 8.380 nan 0.000 0.423 69 M N -0.357 119.293 119.600 0.083 0.000 2.089 69 M HA -0.154 4.326 4.480 -0.000 0.000 0.257 69 M C 2.175 178.504 176.300 0.047 0.000 1.071 69 M CA 1.936 57.283 55.300 0.078 0.000 1.096 69 M CB -0.864 31.814 32.600 0.131 0.000 1.330 69 M HN 0.428 nan 8.290 nan 0.000 0.403 70 G N -0.257 108.571 108.800 0.046 0.000 2.575 70 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 70 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 70 G C 1.514 176.425 174.900 0.018 0.000 1.262 70 G CA 1.034 46.148 45.100 0.024 0.000 0.807 70 G HN 0.567 nan 8.290 nan 0.000 0.567 71 A N -0.638 122.194 122.820 0.019 0.000 2.148 71 A HA -0.132 4.188 4.320 -0.000 0.000 0.222 71 A C 2.265 179.853 177.584 0.007 0.000 1.161 71 A CA 2.044 54.087 52.037 0.011 0.000 0.662 71 A CB -0.265 18.742 19.000 0.012 0.000 0.799 71 A HN 0.396 nan 8.150 nan 0.000 0.466 72 Q N -1.489 118.318 119.800 0.010 0.000 2.402 72 Q HA 0.148 4.488 4.340 -0.000 0.000 0.206 72 Q C 1.895 177.894 176.000 -0.002 0.000 0.919 72 Q CA 0.619 56.425 55.803 0.004 0.000 0.923 72 Q CB 0.018 28.762 28.738 0.009 0.000 1.048 72 Q HN 0.835 nan 8.270 nan 0.000 0.515 73 M N -0.738 118.863 119.600 0.001 0.000 2.142 73 M HA -0.083 4.397 4.480 -0.000 0.000 0.256 73 M C 2.223 178.515 176.300 -0.013 0.000 1.098 73 M CA 0.953 56.250 55.300 -0.005 0.000 1.151 73 M CB -0.759 31.841 32.600 0.000 0.000 1.299 73 M HN 0.038 nan 8.290 nan 0.000 0.431 74 V N 1.084 120.994 119.914 -0.006 0.000 2.370 74 V HA -0.337 3.783 4.120 -0.000 0.000 0.252 74 V C 2.196 178.279 176.094 -0.018 0.000 1.068 74 V CA 2.517 64.812 62.300 -0.007 0.000 1.061 74 V CB -0.699 31.125 31.823 0.002 0.000 0.656 74 V HN 0.552 nan 8.190 nan 0.000 0.455 75 K N -0.658 119.732 120.400 -0.017 0.000 2.057 75 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 75 K C 2.339 178.916 176.600 -0.039 0.000 1.049 75 K CA 1.835 58.109 56.287 -0.022 0.000 0.931 75 K CB -0.311 32.180 32.500 -0.016 0.000 0.714 75 K HN 0.572 nan 8.250 nan 0.000 0.440 76 E N 0.436 120.611 120.200 -0.041 0.000 2.204 76 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 76 E C 1.863 178.402 176.600 -0.100 0.000 0.989 76 E CA 0.627 56.993 56.400 -0.058 0.000 0.824 76 E CB 0.143 29.817 29.700 -0.044 0.000 0.756 76 E HN 0.189 nan 8.360 nan 0.000 0.477 77 V N 0.421 120.272 119.914 -0.105 0.000 2.379 77 V HA -0.082 4.037 4.120 -0.000 0.000 0.243 77 V C 2.277 178.226 176.094 -0.241 0.000 1.035 77 V CA 1.560 63.747 62.300 -0.189 0.000 1.035 77 V CB -0.246 31.510 31.823 -0.112 0.000 0.673 77 V HN 0.283 nan 8.190 nan 0.000 0.457 78 A N 0.567 123.319 122.820 -0.113 0.000 1.917 78 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 78 A C 2.519 180.045 177.584 -0.098 0.000 1.182 78 A CA 2.698 54.694 52.037 -0.069 0.000 0.633 78 A CB -1.159 17.827 19.000 -0.024 0.000 0.819 78 A HN 0.901 nan 8.150 nan 0.000 0.448 79 S N -0.191 115.447 115.700 -0.104 0.000 2.440 79 S HA -0.232 4.238 4.470 -0.000 0.000 0.240 79 S C 1.688 176.214 174.600 -0.124 0.000 1.014 79 S CA 1.728 59.874 58.200 -0.091 0.000 0.980 79 S CB -0.422 62.732 63.200 -0.077 0.000 0.775 79 S HN 0.661 nan 8.310 nan 0.000 0.499 80 K N 1.110 121.360 120.400 -0.250 0.000 2.167 80 K HA 0.217 4.537 4.320 -0.000 0.000 0.203 80 K C 2.592 179.123 176.600 -0.114 0.000 1.052 80 K CA 0.858 56.947 56.287 -0.330 0.000 0.956 80 K CB -0.467 31.522 32.500 -0.852 0.000 0.735 80 K HN 0.479 nan 8.250 nan 0.000 0.451 81 A N 1.897 124.707 122.820 -0.016 0.000 1.883 81 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 81 A C 1.925 179.570 177.584 0.101 0.000 1.186 81 A CA 2.085 54.248 52.037 0.211 0.000 0.624 81 A CB -0.792 18.325 19.000 0.194 0.000 0.822 81 A HN 0.301 nan 8.150 nan 0.000 0.444 82 N N 0.014 118.733 118.700 0.031 0.000 2.104 82 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 82 N C 1.243 176.755 175.510 0.003 0.000 1.024 82 N CA 1.690 54.741 53.050 0.001 0.000 0.853 82 N CB -0.211 38.261 38.487 -0.026 0.000 1.008 82 N HN 0.427 nan 8.380 nan 0.000 0.424 83 D N -0.478 119.926 120.400 0.007 0.000 2.182 83 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 83 D C 1.564 177.896 176.300 0.054 0.000 0.986 83 D CA 1.202 55.211 54.000 0.015 0.000 0.847 83 D CB -0.177 40.620 40.800 -0.006 0.000 0.942 83 D HN 0.433 nan 8.370 nan 0.000 0.467 84 A N 0.903 123.776 122.820 0.088 0.000 1.859 84 A HA 0.307 4.627 4.320 -0.000 0.000 0.212 84 A C 2.142 179.781 177.584 0.091 0.000 1.238 84 A CA 1.374 53.472 52.037 0.101 0.000 0.613 84 A CB -0.764 18.322 19.000 0.144 0.000 0.904 84 A HN 0.201 nan 8.150 nan 0.000 0.457 85 A N -1.697 121.174 122.820 0.085 0.000 1.833 85 A HA 0.395 4.715 4.320 -0.000 0.000 0.215 85 A C 1.838 179.470 177.584 0.081 0.000 1.275 85 A CA 2.222 54.304 52.037 0.075 0.000 0.602 85 A CB -0.889 18.146 19.000 0.058 0.000 0.929 85 A HN 1.663 nan 8.150 nan 0.000 0.462 86 G N -2.304 106.513 108.800 0.029 0.000 4.362 86 G HA2 0.321 4.281 3.960 -0.000 0.000 0.220 86 G HA3 0.321 4.281 3.960 -0.000 0.000 0.220 86 G C -0.371 174.497 174.900 -0.054 0.000 0.795 86 G CA 0.752 45.824 45.100 -0.048 0.000 0.920 86 G HN 0.791 nan 8.290 nan 0.000 0.715 87 D N -2.807 117.586 120.400 -0.011 0.000 2.970 87 D HA 0.515 5.155 4.640 -0.000 0.000 0.344 87 D C 1.216 177.525 176.300 0.015 0.000 1.365 87 D CA 1.126 55.122 54.000 -0.007 0.000 0.910 87 D CB 0.246 41.044 40.800 -0.003 0.000 1.445 87 D HN 1.202 nan 8.370 nan 0.000 0.532 88 G N -1.032 107.777 108.800 0.015 0.000 2.308 88 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.221 88 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.221 88 G C 1.385 176.301 174.900 0.028 0.000 1.032 88 G CA 1.212 46.328 45.100 0.027 0.000 0.623 88 G HN 1.269 nan 8.290 nan 0.000 0.506 89 T N -0.747 113.819 114.554 0.020 0.000 2.680 89 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 89 T C 2.222 176.927 174.700 0.008 0.000 1.033 89 T CA 3.139 65.245 62.100 0.011 0.000 1.152 89 T CB -1.164 67.700 68.868 -0.006 0.000 0.859 89 T HN 0.666 nan 8.240 nan 0.000 0.452 90 T N 1.468 116.025 114.554 0.005 0.000 2.867 90 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 90 T C 2.231 176.936 174.700 0.007 0.000 1.057 90 T CA 1.766 63.867 62.100 0.003 0.000 1.136 90 T CB -0.811 68.057 68.868 0.000 0.000 0.874 90 T HN 0.642 nan 8.240 nan 0.000 0.466 91 T N 2.122 116.684 114.554 0.013 0.000 2.732 91 T HA 0.084 4.433 4.350 -0.000 0.000 0.261 91 T C 2.501 177.214 174.700 0.022 0.000 1.040 91 T CA 0.941 63.050 62.100 0.015 0.000 1.145 91 T CB -0.707 68.172 68.868 0.018 0.000 0.866 91 T HN 0.407 nan 8.240 nan 0.000 0.427 92 A N 2.032 124.872 122.820 0.034 0.000 1.859 92 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 92 A C 2.569 180.171 177.584 0.032 0.000 1.209 92 A CA 2.601 54.667 52.037 0.047 0.000 0.639 92 A CB -1.679 17.361 19.000 0.067 0.000 0.835 92 A HN 0.482 nan 8.150 nan 0.000 0.450 93 T N -0.792 113.774 114.554 0.020 0.000 2.685 93 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 93 T C 1.821 176.527 174.700 0.010 0.000 1.034 93 T CA 1.810 63.916 62.100 0.011 0.000 1.149 93 T CB -0.693 68.178 68.868 0.004 0.000 0.860 93 T HN 0.398 nan 8.240 nan 0.000 0.449 94 V N 0.501 120.421 119.914 0.009 0.000 2.667 94 V HA 0.026 4.146 4.120 -0.000 0.000 0.252 94 V C 2.061 178.160 176.094 0.008 0.000 1.065 94 V CA 1.208 63.512 62.300 0.006 0.000 1.083 94 V CB -0.474 31.350 31.823 0.002 0.000 0.692 94 V HN 0.476 nan 8.190 nan 0.000 0.468 95 L N 0.079 121.310 121.223 0.013 0.000 2.007 95 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 95 L C 2.884 179.763 176.870 0.016 0.000 1.073 95 L CA 1.576 56.425 54.840 0.015 0.000 0.744 95 L CB -0.940 41.132 42.059 0.021 0.000 0.898 95 L HN 0.395 nan 8.230 nan 0.000 0.435 96 A N -0.498 122.334 122.820 0.021 0.000 1.884 96 A HA -0.359 3.961 4.320 -0.000 0.000 0.219 96 A C 2.226 179.817 177.584 0.013 0.000 1.197 96 A CA 2.295 54.344 52.037 0.020 0.000 0.637 96 A CB -0.927 18.086 19.000 0.022 0.000 0.827 96 A HN 0.527 nan 8.150 nan 0.000 0.450 97 Q N -0.711 119.095 119.800 0.010 0.000 2.082 97 Q HA -0.287 4.053 4.340 -0.000 0.000 0.211 97 Q C 2.299 178.303 176.000 0.005 0.000 1.002 97 Q CA 2.389 58.196 55.803 0.006 0.000 0.868 97 Q CB -0.423 28.317 28.738 0.004 0.000 0.931 97 Q HN 0.649 nan 8.270 nan 0.000 0.414 98 A N 0.611 123.434 122.820 0.005 0.000 1.883 98 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 98 A C 2.005 179.592 177.584 0.004 0.000 1.186 98 A CA 1.747 53.786 52.037 0.004 0.000 0.624 98 A CB -0.729 18.273 19.000 0.003 0.000 0.822 98 A HN 0.487 nan 8.150 nan 0.000 0.444 99 I N -0.311 120.263 120.570 0.007 0.000 2.133 99 I HA -0.236 3.934 4.170 -0.000 0.000 0.238 99 I C 2.329 178.449 176.117 0.006 0.000 1.074 99 I CA 1.433 62.738 61.300 0.007 0.000 1.342 99 I CB -0.542 37.464 38.000 0.010 0.000 1.053 99 I HN 0.271 nan 8.210 nan 0.000 0.404 100 I N 0.861 121.435 120.570 0.007 0.000 2.194 100 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 100 I C 2.578 178.698 176.117 0.004 0.000 1.093 100 I CA 1.835 63.139 61.300 0.005 0.000 1.355 100 I CB -0.983 37.021 38.000 0.006 0.000 1.046 100 I HN 0.325 nan 8.210 nan 0.000 0.413 101 T N -0.109 114.447 114.554 0.004 0.000 2.788 101 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 101 T C 1.787 176.488 174.700 0.002 0.000 1.044 101 T CA 1.204 63.306 62.100 0.003 0.000 1.139 101 T CB -0.135 68.735 68.868 0.002 0.000 0.867 101 T HN 0.307 nan 8.240 nan 0.000 0.454 102 E N 0.363 120.564 120.200 0.002 0.000 2.250 102 E HA 0.140 4.490 4.350 -0.000 0.000 0.192 102 E C 2.434 179.035 176.600 0.002 0.000 0.986 102 E CA 0.440 56.841 56.400 0.002 0.000 0.849 102 E CB -0.449 29.251 29.700 0.001 0.000 0.797 102 E HN 0.531 nan 8.360 nan 0.000 0.482 103 G N 1.712 110.513 108.800 0.002 0.000 2.484 103 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 103 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 103 G C 1.636 176.536 174.900 0.001 0.000 1.219 103 G CA 0.463 45.564 45.100 0.002 0.000 0.791 103 G HN 0.185 nan 8.290 nan 0.000 0.550 104 L N 0.261 121.484 121.223 0.001 0.000 2.261 104 L HA -0.035 4.305 4.340 -0.000 0.000 0.216 104 L C 2.724 179.595 176.870 0.001 0.000 1.114 104 L CA 1.166 56.006 54.840 0.000 0.000 0.777 104 L CB -0.343 41.716 42.059 -0.000 0.000 0.910 104 L HN 0.240 nan 8.230 nan 0.000 0.440 105 K N 0.308 120.709 120.400 0.001 0.000 2.217 105 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 105 K C 2.077 178.678 176.600 0.001 0.000 1.051 105 K CA 0.951 57.238 56.287 0.001 0.000 0.952 105 K CB 0.111 32.611 32.500 0.001 0.000 0.736 105 K HN 0.296 nan 8.250 nan 0.000 0.453 106 A N 0.179 122.999 122.820 0.001 0.000 1.862 106 A HA -0.017 4.303 4.320 -0.000 0.000 0.211 106 A C 2.098 179.682 177.584 -0.000 0.000 1.220 106 A CA 0.778 52.815 52.037 0.000 0.000 0.616 106 A CB -0.625 18.375 19.000 0.000 0.000 0.878 106 A HN 0.065 nan 8.150 nan 0.000 0.453 107 V N 0.511 120.425 119.914 -0.000 0.000 2.233 107 V HA -0.361 3.759 4.120 -0.000 0.000 0.252 107 V C 2.954 179.048 176.094 -0.001 0.000 1.063 107 V CA 2.366 64.666 62.300 -0.001 0.000 1.032 107 V CB -1.313 30.509 31.823 -0.002 0.000 0.645 107 V HN 0.605 nan 8.190 nan 0.000 0.446 108 A N -0.669 122.151 122.820 0.000 0.000 2.225 108 A HA 0.131 4.451 4.320 -0.000 0.000 0.215 108 A C 2.123 179.708 177.584 0.001 0.000 1.164 108 A CA 1.510 53.548 52.037 0.001 0.000 0.710 108 A CB -0.517 18.485 19.000 0.002 0.000 0.780 108 A HN 0.650 nan 8.150 nan 0.000 0.473 109 A N -2.071 120.750 122.820 0.001 0.000 2.218 109 A HA 0.446 4.766 4.320 -0.000 0.000 0.209 109 A C 1.612 179.196 177.584 0.000 0.000 1.168 109 A CA 1.169 53.206 52.037 0.001 0.000 0.804 109 A CB -0.363 18.637 19.000 0.001 0.000 0.834 109 A HN 1.676 nan 8.150 nan 0.000 0.482 110 G N -1.945 106.854 108.800 -0.001 0.000 2.183 110 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.168 110 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.168 110 G C 0.083 174.981 174.900 -0.002 0.000 1.008 110 G CA 0.043 45.142 45.100 -0.001 0.000 0.677 110 G HN 0.289 nan 8.290 nan 0.000 0.498 111 M N 0.750 120.349 119.600 -0.002 0.000 2.368 111 M HA 0.367 4.847 4.480 -0.000 0.000 0.311 111 M C 0.561 176.859 176.300 -0.004 0.000 1.168 111 M CA -0.785 54.514 55.300 -0.003 0.000 1.044 111 M CB 0.781 33.380 32.600 -0.002 0.000 1.506 111 M HN 0.152 nan 8.290 nan 0.000 0.475 112 N N 1.633 120.331 118.700 -0.004 0.000 2.497 112 N HA 0.123 4.863 4.740 -0.000 0.000 0.268 112 N C -2.292 173.215 175.510 -0.005 0.000 1.171 112 N CA -1.254 51.793 53.050 -0.005 0.000 0.948 112 N CB 1.341 39.825 38.487 -0.006 0.000 1.069 112 N HN 0.247 nan 8.380 nan 0.000 0.460 113 P HA -0.037 nan 4.420 nan 0.000 0.213 113 P C 1.755 179.053 177.300 -0.004 0.000 1.170 113 P CA 1.138 64.236 63.100 -0.004 0.000 0.889 113 P CB 0.177 31.873 31.700 -0.006 0.000 0.782 114 M N -0.497 119.100 119.600 -0.005 0.000 2.260 114 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 114 M C 1.141 177.439 176.300 -0.003 0.000 1.066 114 M CA 1.674 56.971 55.300 -0.004 0.000 1.082 114 M CB -1.481 31.116 32.600 -0.006 0.000 1.388 114 M HN 0.007 nan 8.290 nan 0.000 0.419 115 D N -0.170 120.228 120.400 -0.003 0.000 2.144 115 D HA 0.032 4.672 4.640 -0.000 0.000 0.207 115 D C 2.233 178.532 176.300 -0.001 0.000 0.970 115 D CA 0.683 54.681 54.000 -0.002 0.000 0.853 115 D CB -0.198 40.600 40.800 -0.003 0.000 1.007 115 D HN 0.297 nan 8.370 nan 0.000 0.469 116 L N 1.051 122.273 121.223 -0.001 0.000 2.137 116 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 116 L C 2.468 179.338 176.870 0.001 0.000 1.085 116 L CA 1.252 56.091 54.840 -0.000 0.000 0.760 116 L CB -0.373 41.686 42.059 -0.000 0.000 0.893 116 L HN 0.045 nan 8.230 nan 0.000 0.434 117 K N 0.282 120.683 120.400 0.001 0.000 2.097 117 K HA -0.208 4.112 4.320 -0.000 0.000 0.205 117 K C 2.308 178.909 176.600 0.002 0.000 1.050 117 K CA 1.179 57.467 56.287 0.002 0.000 0.938 117 K CB 0.053 32.554 32.500 0.002 0.000 0.718 117 K HN 0.123 nan 8.250 nan 0.000 0.442 118 R N -0.219 120.281 120.500 0.000 0.000 2.057 118 R HA -0.048 4.291 4.340 -0.000 0.000 0.229 118 R C 2.377 178.677 176.300 -0.000 0.000 1.136 118 R CA 1.571 57.670 56.100 -0.000 0.000 0.952 118 R CB -0.664 29.636 30.300 -0.001 0.000 0.848 118 R HN 0.384 nan 8.270 nan 0.000 0.430 119 G N 1.184 109.983 108.800 -0.000 0.000 2.556 119 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 119 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 119 G C 1.436 176.336 174.900 0.000 0.000 1.156 119 G CA 1.290 46.390 45.100 -0.000 0.000 0.766 119 G HN 0.297 nan 8.290 nan 0.000 0.583 120 I N 0.621 121.192 120.570 0.001 0.000 2.179 120 I HA -0.124 4.046 4.170 -0.000 0.000 0.242 120 I C 2.244 178.362 176.117 0.000 0.000 1.088 120 I CA 1.308 62.609 61.300 0.002 0.000 1.357 120 I CB -0.179 37.824 38.000 0.004 0.000 1.051 120 I HN 0.086 nan 8.210 nan 0.000 0.409 121 D N 0.529 120.929 120.400 0.000 0.000 2.219 121 D HA -0.179 4.461 4.640 -0.000 0.000 0.205 121 D C 2.011 178.309 176.300 -0.004 0.000 0.970 121 D CA 0.986 54.985 54.000 -0.002 0.000 0.851 121 D CB 0.000 40.800 40.800 -0.001 0.000 0.943 121 D HN 0.336 nan 8.370 nan 0.000 0.488 122 K N 0.849 121.247 120.400 -0.003 0.000 1.991 122 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 122 K C 2.133 178.731 176.600 -0.004 0.000 1.045 122 K CA 0.963 57.248 56.287 -0.003 0.000 0.937 122 K CB -0.040 32.459 32.500 -0.002 0.000 0.720 122 K HN -0.070 nan 8.250 nan 0.000 0.438 123 A N 0.854 123.673 122.820 -0.002 0.000 2.009 123 A HA -0.183 4.136 4.320 -0.000 0.000 0.222 123 A C 2.201 179.783 177.584 -0.003 0.000 1.175 123 A CA 1.992 54.028 52.037 -0.002 0.000 0.651 123 A CB -0.766 18.234 19.000 -0.000 0.000 0.815 123 A HN 0.222 nan 8.150 nan 0.000 0.459 124 V N -0.791 119.120 119.914 -0.005 0.000 2.256 124 V HA -0.187 3.933 4.120 -0.000 0.000 0.240 124 V C 2.660 178.747 176.094 -0.012 0.000 1.036 124 V CA 2.341 64.636 62.300 -0.009 0.000 1.008 124 V CB -1.288 30.528 31.823 -0.011 0.000 0.648 124 V HN 0.606 nan 8.190 nan 0.000 0.453 125 T N 0.655 115.202 114.554 -0.013 0.000 2.792 125 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 125 T C 1.811 176.504 174.700 -0.011 0.000 1.059 125 T CA 1.746 63.837 62.100 -0.014 0.000 1.136 125 T CB -0.426 68.435 68.868 -0.012 0.000 0.846 125 T HN 0.575 nan 8.240 nan 0.000 0.489 126 A N 1.315 124.130 122.820 -0.008 0.000 1.850 126 A HA 0.455 4.775 4.320 -0.000 0.000 0.212 126 A C 2.699 180.280 177.584 -0.005 0.000 1.208 126 A CA 1.231 53.265 52.037 -0.005 0.000 0.609 126 A CB -1.210 17.788 19.000 -0.003 0.000 0.860 126 A HN 0.484 nan 8.150 nan 0.000 0.448 127 A N -0.327 122.490 122.820 -0.004 0.000 2.024 127 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 127 A C 2.095 179.675 177.584 -0.006 0.000 1.164 127 A CA 1.792 53.827 52.037 -0.003 0.000 0.643 127 A CB -0.877 18.122 19.000 -0.002 0.000 0.806 127 A HN 0.425 nan 8.150 nan 0.000 0.451 128 V N -0.289 119.618 119.914 -0.011 0.000 2.515 128 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 128 V C 2.281 178.368 176.094 -0.012 0.000 1.058 128 V CA 2.239 64.529 62.300 -0.016 0.000 1.064 128 V CB -0.717 31.091 31.823 -0.025 0.000 0.675 128 V HN 0.657 nan 8.190 nan 0.000 0.461 129 E N -0.189 120.006 120.200 -0.008 0.000 2.075 129 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 129 E C 2.184 178.783 176.600 -0.001 0.000 0.969 129 E CA 0.638 57.035 56.400 -0.005 0.000 0.815 129 E CB -0.122 29.576 29.700 -0.004 0.000 0.776 129 E HN 0.431 nan 8.360 nan 0.000 0.457 130 E N 0.968 121.168 120.200 -0.000 0.000 2.284 130 E HA -0.208 4.142 4.350 -0.000 0.000 0.200 130 E C 1.711 178.314 176.600 0.005 0.000 1.008 130 E CA 0.592 56.994 56.400 0.003 0.000 0.829 130 E CB -0.050 29.652 29.700 0.004 0.000 0.744 130 E HN 0.123 nan 8.360 nan 0.000 0.491 131 L N 0.220 121.445 121.223 0.003 0.000 2.162 131 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 131 L C 1.645 178.517 176.870 0.004 0.000 1.086 131 L CA 1.318 56.160 54.840 0.004 0.000 0.778 131 L CB -0.016 42.043 42.059 -0.000 0.000 0.928 131 L HN -0.080 nan 8.230 nan 0.000 0.446 132 K N -0.367 120.033 120.400 0.001 0.000 2.574 132 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 132 K C 1.728 178.330 176.600 0.004 0.000 1.035 132 K CA 0.547 56.835 56.287 0.001 0.000 0.982 132 K CB -0.058 32.441 32.500 -0.001 0.000 0.795 132 K HN 0.441 nan 8.250 nan 0.000 0.491 133 A N 1.389 124.212 122.820 0.006 0.000 1.835 133 A HA -0.056 4.264 4.320 -0.000 0.000 0.213 133 A C 1.982 179.572 177.584 0.010 0.000 1.210 133 A CA 0.627 52.669 52.037 0.008 0.000 0.605 133 A CB -0.448 18.557 19.000 0.008 0.000 0.860 133 A HN 0.105 nan 8.150 nan 0.000 0.447 134 L N 0.462 121.692 121.223 0.013 0.000 2.081 134 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 134 L C 1.551 178.430 176.870 0.015 0.000 1.080 134 L CA 1.228 56.078 54.840 0.017 0.000 0.754 134 L CB -1.273 40.798 42.059 0.020 0.000 0.893 134 L HN 0.429 nan 8.230 nan 0.000 0.433 135 S N 0.433 116.140 115.700 0.012 0.000 3.225 135 S HA -0.014 4.456 4.470 -0.000 0.000 0.378 135 S C -0.122 174.484 174.600 0.011 0.000 1.190 135 S CA -0.274 57.933 58.200 0.011 0.000 1.104 135 S CB -0.146 63.058 63.200 0.007 0.000 0.795 135 S HN 0.082 nan 8.310 nan 0.000 0.517 136 V N 9.779 129.700 119.914 0.012 0.000 2.328 136 V HA 0.318 4.438 4.120 -0.000 0.000 0.278 136 V C -1.681 174.419 176.094 0.010 0.000 1.021 136 V CA -1.765 60.542 62.300 0.012 0.000 0.838 136 V CB 0.853 32.684 31.823 0.014 0.000 0.999 136 V HN 0.756 nan 8.190 nan 0.000 0.447 137 P HA -0.125 nan 4.420 nan 0.000 0.275 137 P C -0.146 177.158 177.300 0.007 0.000 1.227 137 P CA 0.178 63.282 63.100 0.007 0.000 0.808 137 P CB 0.317 32.020 31.700 0.006 0.000 0.858 138 C N 0.977 120.280 119.300 0.006 0.000 3.079 138 C HA 0.304 4.764 4.460 -0.000 0.000 0.246 138 C C 1.186 176.179 174.990 0.004 0.000 1.025 138 C CA 0.034 59.055 59.018 0.006 0.000 1.081 138 C CB -1.356 26.388 27.740 0.007 0.000 1.757 138 C HN 0.545 nan 8.230 nan 0.000 0.646 139 S N 0.588 116.289 115.700 0.003 0.000 2.527 139 S HA 0.084 4.554 4.470 -0.000 0.000 0.227 139 S C 0.357 174.958 174.600 0.001 0.000 1.059 139 S CA 0.161 58.362 58.200 0.002 0.000 0.919 139 S CB 0.048 63.249 63.200 0.002 0.000 0.805 139 S HN 0.920 nan 8.310 nan 0.000 0.500 140 D N 2.317 122.718 120.400 0.002 0.000 2.348 140 D HA 0.088 4.728 4.640 -0.000 0.000 0.253 140 D C 0.673 176.974 176.300 0.001 0.000 1.161 140 D CA -0.007 53.994 54.000 0.001 0.000 0.876 140 D CB 1.138 41.939 40.800 0.002 0.000 1.160 140 D HN 0.156 nan 8.370 nan 0.000 0.459 141 S N 1.700 117.400 115.700 0.000 0.000 2.559 141 S HA -0.246 4.224 4.470 -0.000 0.000 0.250 141 S C 1.356 175.956 174.600 0.001 0.000 0.977 141 S CA 0.725 58.925 58.200 0.000 0.000 0.958 141 S CB -0.304 62.896 63.200 -0.001 0.000 0.751 141 S HN 0.661 nan 8.310 nan 0.000 0.534 142 K N 1.375 121.777 120.400 0.002 0.000 2.141 142 K HA 0.251 4.571 4.320 -0.000 0.000 0.202 142 K C 2.238 178.840 176.600 0.003 0.000 1.045 142 K CA 0.748 57.036 56.287 0.002 0.000 0.971 142 K CB -0.434 32.067 32.500 0.003 0.000 0.795 142 K HN 0.352 nan 8.250 nan 0.000 0.459 143 A N 1.322 124.144 122.820 0.004 0.000 2.014 143 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 143 A C 1.975 179.562 177.584 0.005 0.000 1.163 143 A CA 0.749 52.789 52.037 0.005 0.000 0.652 143 A CB -0.430 18.574 19.000 0.006 0.000 0.808 143 A HN 0.325 nan 8.150 nan 0.000 0.449 144 I N -0.351 120.221 120.570 0.004 0.000 2.286 144 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 144 I C 2.962 179.081 176.117 0.004 0.000 1.115 144 I CA 0.973 62.275 61.300 0.004 0.000 1.392 144 I CB -0.279 37.722 38.000 0.001 0.000 1.065 144 I HN 0.387 nan 8.210 nan 0.000 0.418 145 A N 0.372 123.194 122.820 0.004 0.000 1.858 145 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 145 A C 2.203 179.790 177.584 0.005 0.000 1.190 145 A CA 1.650 53.689 52.037 0.004 0.000 0.617 145 A CB -0.737 18.265 19.000 0.003 0.000 0.827 145 A HN 0.465 nan 8.150 nan 0.000 0.443 146 Q N -0.514 119.289 119.800 0.006 0.000 2.152 146 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 146 Q C 2.129 178.134 176.000 0.008 0.000 0.985 146 Q CA 1.697 57.504 55.803 0.007 0.000 0.863 146 Q CB -0.485 28.257 28.738 0.007 0.000 0.904 146 Q HN 0.516 nan 8.270 nan 0.000 0.422 147 V N 0.336 120.256 119.914 0.009 0.000 2.221 147 V HA -0.193 3.927 4.120 -0.000 0.000 0.242 147 V C 2.295 178.396 176.094 0.012 0.000 1.041 147 V CA 2.073 64.380 62.300 0.011 0.000 0.995 147 V CB -1.292 30.538 31.823 0.012 0.000 0.635 147 V HN 0.555 nan 8.190 nan 0.000 0.448 148 G N -0.697 108.110 108.800 0.012 0.000 2.507 148 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.221 148 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.221 148 G C 1.648 176.555 174.900 0.011 0.000 1.119 148 G CA 1.777 46.884 45.100 0.013 0.000 0.751 148 G HN 0.485 nan 8.290 nan 0.000 0.574 149 T N 0.968 115.527 114.554 0.009 0.000 2.867 149 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 149 T C 2.295 177.000 174.700 0.008 0.000 1.057 149 T CA 0.838 62.943 62.100 0.007 0.000 1.136 149 T CB -0.089 68.783 68.868 0.006 0.000 0.874 149 T HN 0.325 nan 8.240 nan 0.000 0.466 150 I N 0.653 121.228 120.570 0.009 0.000 2.876 150 I HA 0.005 4.175 4.170 -0.000 0.000 0.264 150 I C 2.130 178.253 176.117 0.010 0.000 1.204 150 I CA 0.525 61.830 61.300 0.008 0.000 1.485 150 I CB -0.079 37.926 38.000 0.009 0.000 1.103 150 I HN 0.108 nan 8.210 nan 0.000 0.446 151 S N 0.851 116.559 115.700 0.013 0.000 2.527 151 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 151 S C 1.685 176.294 174.600 0.015 0.000 0.985 151 S CA 0.744 58.953 58.200 0.016 0.000 0.921 151 S CB 0.136 63.350 63.200 0.024 0.000 0.772 151 S HN 0.481 nan 8.310 nan 0.000 0.529 152 A N 1.327 124.154 122.820 0.012 0.000 2.500 152 A HA 0.442 4.762 4.320 -0.000 0.000 0.267 152 A C 0.572 178.161 177.584 0.007 0.000 1.290 152 A CA -0.354 51.690 52.037 0.011 0.000 0.928 152 A CB -0.403 18.603 19.000 0.010 0.000 1.066 152 A HN 0.370 nan 8.150 nan 0.000 0.516 153 N N -0.281 118.423 118.700 0.006 0.000 2.746 153 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 153 N C 0.209 175.721 175.510 0.003 0.000 1.055 153 N CA 1.048 54.100 53.050 0.004 0.000 0.699 153 N CB -1.862 36.627 38.487 0.003 0.000 0.919 153 N HN 0.511 nan 8.380 nan 0.000 0.548 154 S N -1.580 114.122 115.700 0.003 0.000 3.490 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.301 154 S C -0.356 174.246 174.600 0.003 0.000 1.233 154 S CA 0.827 59.029 58.200 0.002 0.000 0.914 154 S CB -1.042 62.158 63.200 0.000 0.000 1.047 154 S HN 0.765 nan 8.310 nan 0.000 0.602 155 D N 1.402 121.804 120.400 0.004 0.000 2.441 155 D HA 0.215 4.854 4.640 -0.000 0.000 0.221 155 D C 1.136 177.439 176.300 0.004 0.000 1.156 155 D CA -0.248 53.754 54.000 0.003 0.000 0.896 155 D CB 0.480 41.282 40.800 0.004 0.000 1.028 155 D HN 0.481 nan 8.370 nan 0.000 0.509 156 E N 1.334 121.536 120.200 0.003 0.000 2.130 156 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 156 E C 1.522 178.124 176.600 0.003 0.000 0.998 156 E CA 1.293 57.695 56.400 0.003 0.000 0.806 156 E CB 0.141 29.842 29.700 0.002 0.000 0.738 156 E HN 0.495 nan 8.360 nan 0.000 0.459 157 T N 1.020 115.576 114.554 0.003 0.000 2.699 157 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 157 T C 2.099 176.800 174.700 0.003 0.000 1.036 157 T CA 1.425 63.527 62.100 0.002 0.000 1.147 157 T CB -0.305 68.564 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.497 121.413 119.914 0.004 0.000 2.216 158 V HA -0.098 4.022 4.120 -0.000 0.000 0.243 158 V C 2.929 179.025 176.094 0.004 0.000 1.044 158 V CA 2.004 64.307 62.300 0.005 0.000 0.995 158 V CB -1.634 30.194 31.823 0.007 0.000 0.633 158 V HN 0.571 nan 8.190 nan 0.000 0.446 159 G N 0.027 108.830 108.800 0.005 0.000 2.663 159 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.222 159 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.222 159 G C 1.633 176.534 174.900 0.002 0.000 1.146 159 G CA 1.811 46.914 45.100 0.004 0.000 0.764 159 G HN 0.543 nan 8.290 nan 0.000 0.608 160 K N 0.073 120.475 120.400 0.002 0.000 2.002 160 K HA 0.019 4.339 4.320 -0.000 0.000 0.209 160 K C 2.639 179.238 176.600 -0.001 0.000 1.048 160 K CA 1.187 57.475 56.287 0.001 0.000 0.930 160 K CB -0.379 32.121 32.500 0.000 0.000 0.714 160 K HN 0.353 nan 8.250 nan 0.000 0.438 161 L N 1.134 122.357 121.223 -0.000 0.000 2.034 161 L HA -0.291 4.049 4.340 -0.000 0.000 0.217 161 L C 2.503 179.371 176.870 -0.003 0.000 1.077 161 L CA 1.625 56.465 54.840 -0.002 0.000 0.769 161 L CB -0.416 41.643 42.059 -0.001 0.000 0.890 161 L HN 0.329 nan 8.230 nan 0.000 0.435 162 I N -0.767 119.801 120.570 -0.003 0.000 2.090 162 I HA -0.334 3.835 4.170 -0.000 0.000 0.236 162 I C 2.811 178.925 176.117 -0.006 0.000 1.064 162 I CA 1.301 62.598 61.300 -0.005 0.000 1.324 162 I CB -0.663 37.335 38.000 -0.003 0.000 1.044 162 I HN 0.252 nan 8.210 nan 0.000 0.399 163 A N 0.579 123.397 122.820 -0.004 0.000 1.915 163 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 163 A C 2.180 179.762 177.584 -0.005 0.000 1.198 163 A CA 2.294 54.329 52.037 -0.004 0.000 0.647 163 A CB -0.886 18.113 19.000 -0.002 0.000 0.825 163 A HN 0.550 nan 8.150 nan 0.000 0.456 164 E N -0.639 119.559 120.200 -0.004 0.000 2.153 164 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 164 E C 2.314 178.910 176.600 -0.007 0.000 0.988 164 E CA 0.843 57.240 56.400 -0.005 0.000 0.811 164 E CB -0.273 29.425 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.293 124.108 122.820 -0.008 0.000 1.854 165 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 165 A C 2.179 179.756 177.584 -0.012 0.000 1.192 165 A CA 1.128 53.158 52.037 -0.011 0.000 0.611 165 A CB -0.408 18.584 19.000 -0.014 0.000 0.832 165 A HN 0.103 nan 8.150 nan 0.000 0.442 166 M N -0.828 118.765 119.600 -0.012 0.000 2.213 166 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 166 M C 1.381 177.675 176.300 -0.010 0.000 1.062 166 M CA 1.733 57.025 55.300 -0.013 0.000 1.105 166 M CB -0.592 32.001 32.600 -0.012 0.000 1.385 166 M HN 0.361 nan 8.290 nan 0.000 0.417 167 D N 0.309 120.704 120.400 -0.008 0.000 2.378 167 D HA -0.062 4.578 4.640 -0.000 0.000 0.227 167 D C 1.800 178.096 176.300 -0.007 0.000 1.012 167 D CA 0.758 54.754 54.000 -0.006 0.000 0.905 167 D CB 0.304 41.101 40.800 -0.005 0.000 0.895 167 D HN 0.040 nan 8.370 nan 0.000 0.532 168 K N -0.682 119.713 120.400 -0.008 0.000 2.399 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 168 K C 0.878 177.472 176.600 -0.009 0.000 1.103 168 K CA 0.444 56.726 56.287 -0.008 0.000 0.986 168 K CB 1.526 34.021 32.500 -0.008 0.000 0.952 168 K HN 0.151 nan 8.250 nan 0.000 0.541 169 V N -3.007 116.901 119.914 -0.010 0.000 3.261 169 V HA 0.438 4.558 4.120 -0.000 0.000 0.330 169 V C 0.263 176.350 176.094 -0.011 0.000 1.461 169 V CA -0.196 62.098 62.300 -0.011 0.000 1.127 169 V CB 0.093 31.907 31.823 -0.014 0.000 1.044 169 V HN 0.216 nan 8.190 nan 0.000 0.499 170 G N 2.534 111.328 108.800 -0.010 0.000 2.750 170 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 170 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 170 G C 0.253 175.146 174.900 -0.012 0.000 1.395 170 G CA -0.008 45.086 45.100 -0.010 0.000 0.918 170 G HN 0.778 nan 8.290 nan 0.000 0.594 171 K N 0.345 120.739 120.400 -0.010 0.000 2.633 171 K HA -0.022 4.298 4.320 -0.000 0.000 0.193 171 K C 0.631 177.223 176.600 -0.014 0.000 1.033 171 K CA 1.377 57.657 56.287 -0.012 0.000 0.980 171 K CB 0.385 32.880 32.500 -0.009 0.000 0.800 171 K HN 0.517 nan 8.250 nan 0.000 0.493 172 E N 1.089 121.280 120.200 -0.014 0.000 2.624 172 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 172 E C 0.434 177.024 176.600 -0.017 0.000 0.997 172 E CA -0.094 56.297 56.400 -0.014 0.000 0.999 172 E CB 1.170 30.865 29.700 -0.009 0.000 1.040 172 E HN 0.414 nan 8.360 nan 0.000 0.469 173 G N 0.417 109.205 108.800 -0.020 0.000 2.568 173 G HA2 0.435 4.395 3.960 -0.000 0.000 0.293 173 G HA3 0.435 4.395 3.960 -0.000 0.000 0.293 173 G C -0.060 174.821 174.900 -0.030 0.000 1.347 173 G CA -0.428 44.659 45.100 -0.021 0.000 1.039 173 G HN -0.036 nan 8.290 nan 0.000 0.523 174 V N 0.018 119.914 119.914 -0.030 0.000 2.481 174 V HA 0.579 4.699 4.120 -0.000 0.000 0.286 174 V C -0.111 175.959 176.094 -0.041 0.000 1.042 174 V CA -0.363 61.913 62.300 -0.040 0.000 0.928 174 V CB 0.944 32.745 31.823 -0.036 0.000 0.986 174 V HN 0.486 nan 8.190 nan 0.000 0.462 175 I N 3.040 123.578 120.570 -0.053 0.000 2.571 175 I HA 0.512 4.682 4.170 -0.000 0.000 0.289 175 I C -0.409 175.677 176.117 -0.052 0.000 1.115 175 I CA -0.147 61.124 61.300 -0.048 0.000 1.045 175 I CB 2.477 40.447 38.000 -0.050 0.000 1.238 175 I HN 0.615 nan 8.210 nan 0.000 0.424 176 T N 4.575 119.106 114.554 -0.038 0.000 2.907 176 T HA 0.600 4.950 4.350 -0.000 0.000 0.292 176 T C -0.501 174.187 174.700 -0.020 0.000 1.043 176 T CA -0.720 61.361 62.100 -0.032 0.000 1.003 176 T CB 2.501 71.350 68.868 -0.031 0.000 1.084 176 T HN 0.382 nan 8.240 nan 0.000 0.483 177 V N 0.098 120.005 119.914 -0.012 0.000 2.378 177 V HA 0.642 4.762 4.120 -0.000 0.000 0.288 177 V C -0.185 175.907 176.094 -0.002 0.000 1.016 177 V CA -0.817 61.480 62.300 -0.004 0.000 0.840 177 V CB 1.005 32.831 31.823 0.004 0.000 0.994 177 V HN 0.864 nan 8.190 nan 0.000 0.431 178 E N 2.556 122.754 120.200 -0.004 0.000 2.961 178 E HA 0.427 4.777 4.350 -0.000 0.000 0.254 178 E C -0.933 175.667 176.600 0.000 0.000 1.192 178 E CA -0.937 55.461 56.400 -0.003 0.000 1.069 178 E CB 0.835 30.532 29.700 -0.006 0.000 1.338 178 E HN 0.764 nan 8.360 nan 0.000 0.596 179 D N -0.123 120.277 120.400 -0.000 0.000 2.277 179 D HA 0.282 4.922 4.640 -0.000 0.000 0.250 179 D C -0.136 176.164 176.300 -0.000 0.000 1.032 179 D CA -0.224 53.777 54.000 0.001 0.000 0.947 179 D CB 1.478 42.279 40.800 0.002 0.000 1.159 179 D HN 0.441 nan 8.370 nan 0.000 0.460 180 G N -0.917 107.884 108.800 0.001 0.000 2.539 180 G HA2 0.285 4.245 3.960 -0.000 0.000 0.258 180 G HA3 0.285 4.245 3.960 -0.000 0.000 0.258 180 G C 0.837 175.737 174.900 -0.001 0.000 1.202 180 G CA -0.306 44.794 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.756 111.797 114.554 -0.001 0.000 3.069 181 T HA 0.470 4.820 4.350 -0.000 0.000 0.252 181 T C 0.975 175.674 174.700 -0.001 0.000 1.053 181 T CA 0.519 62.618 62.100 -0.002 0.000 0.964 181 T CB 0.349 69.215 68.868 -0.002 0.000 1.005 181 T HN 2.006 nan 8.240 nan 0.000 0.532 182 G N 1.999 110.799 108.800 -0.000 0.000 2.421 182 G HA2 0.308 4.268 3.960 -0.000 0.000 0.360 182 G HA3 0.308 4.268 3.960 -0.000 0.000 0.360 182 G C -0.577 174.323 174.900 -0.000 0.000 1.219 182 G CA -0.615 44.485 45.100 -0.000 0.000 1.257 182 G HN 0.621 nan 8.290 nan 0.000 0.609 183 L N -0.021 121.202 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.356 183 L C 0.478 177.348 176.870 -0.000 0.000 1.007 183 L CA 2.310 57.150 54.840 0.000 0.000 1.222 183 L CB -0.322 41.737 42.059 0.000 0.000 0.016 183 L HN 1.794 nan 8.230 nan 0.000 0.101 184 Q N 1.510 121.310 119.800 -0.000 0.000 2.667 184 Q HA -0.126 4.214 4.340 -0.000 0.000 0.210 184 Q C -0.611 175.389 176.000 -0.001 0.000 1.417 184 Q CA 1.032 56.835 55.803 -0.000 0.000 0.607 184 Q CB -0.590 28.148 28.738 -0.001 0.000 0.739 184 Q HN 0.590 nan 8.270 nan 0.000 0.315 185 D N 3.386 123.785 120.400 -0.001 0.000 2.455 185 D HA 0.035 4.675 4.640 -0.000 0.000 0.241 185 D C 0.302 176.600 176.300 -0.002 0.000 1.138 185 D CA 0.761 54.761 54.000 -0.001 0.000 0.877 185 D CB 0.711 41.511 40.800 -0.001 0.000 1.187 185 D HN 0.307 nan 8.370 nan 0.000 0.451 186 E N 0.338 120.537 120.200 -0.003 0.000 2.221 186 E HA 0.594 4.943 4.350 -0.000 0.000 0.268 186 E C -0.892 175.705 176.600 -0.005 0.000 0.933 186 E CA -0.991 55.407 56.400 -0.004 0.000 0.809 186 E CB 2.256 31.953 29.700 -0.004 0.000 1.190 186 E HN 0.126 nan 8.360 nan 0.000 0.406 187 L N 2.849 124.069 121.223 -0.005 0.000 2.543 187 L HA 0.416 4.756 4.340 -0.000 0.000 0.265 187 L C -2.155 174.711 176.870 -0.006 0.000 0.945 187 L CA -0.246 54.590 54.840 -0.006 0.000 0.869 187 L CB 1.750 43.805 42.059 -0.006 0.000 1.294 187 L HN 0.618 nan 8.230 nan 0.000 0.405 188 D N 3.417 123.812 120.400 -0.008 0.000 2.639 188 D HA 0.451 5.091 4.640 -0.000 0.000 0.271 188 D C -1.389 174.906 176.300 -0.009 0.000 1.254 188 D CA -0.419 53.576 54.000 -0.008 0.000 0.810 188 D CB 2.053 42.849 40.800 -0.007 0.000 1.351 188 D HN 0.307 nan 8.370 nan 0.000 0.427 189 V N 0.201 120.110 119.914 -0.008 0.000 2.435 189 V HA 0.607 4.727 4.120 -0.000 0.000 0.290 189 V C 0.301 176.390 176.094 -0.008 0.000 1.030 189 V CA -0.678 61.617 62.300 -0.009 0.000 0.881 189 V CB 1.306 33.124 31.823 -0.008 0.000 0.983 189 V HN 0.614 nan 8.190 nan 0.000 0.445 190 V N 1.096 121.005 119.914 -0.009 0.000 2.962 190 V HA 0.653 4.773 4.120 -0.000 0.000 0.313 190 V C -0.334 175.756 176.094 -0.006 0.000 1.099 190 V CA -1.003 61.292 62.300 -0.008 0.000 0.971 190 V CB 2.182 33.999 31.823 -0.010 0.000 1.028 190 V HN 0.714 nan 8.190 nan 0.000 0.430 191 E N 2.456 122.654 120.200 -0.004 0.000 2.341 191 E HA 0.465 4.815 4.350 -0.000 0.000 0.256 191 E C 0.353 176.954 176.600 0.001 0.000 1.125 191 E CA 0.839 57.239 56.400 -0.000 0.000 0.939 191 E CB 0.750 30.451 29.700 0.001 0.000 0.991 191 E HN 1.097 nan 8.360 nan 0.000 0.458 192 G N 1.678 110.480 108.800 0.003 0.000 2.911 192 G HA2 0.752 4.712 3.960 -0.000 0.000 0.299 192 G HA3 0.752 4.712 3.960 -0.000 0.000 0.299 192 G C -0.912 173.998 174.900 0.016 0.000 1.283 192 G CA -0.548 44.555 45.100 0.005 0.000 0.805 192 G HN 0.415 nan 8.290 nan 0.000 0.548 193 M N -0.914 118.696 119.600 0.017 0.000 2.895 193 M HA 0.524 5.004 4.480 -0.000 0.000 0.271 193 M C -2.467 173.835 176.300 0.003 0.000 1.174 193 M CA -0.625 54.699 55.300 0.040 0.000 0.816 193 M CB 2.364 35.024 32.600 0.100 0.000 1.647 193 M HN 0.636 nan 8.290 nan 0.000 0.506 194 Q N 2.695 122.507 119.800 0.020 0.000 2.280 194 Q HA 0.543 4.883 4.340 -0.000 0.000 0.259 194 Q C -2.262 173.741 176.000 0.005 0.000 0.964 194 Q CA -0.516 55.227 55.803 -0.100 0.000 0.844 194 Q CB 1.879 30.557 28.738 -0.099 0.000 1.334 194 Q HN 0.585 nan 8.270 nan 0.000 0.423 195 F N -0.026 119.917 119.950 -0.012 0.000 2.579 195 F HA 0.548 5.075 4.527 -0.000 0.000 0.324 195 F C 0.099 175.893 175.800 -0.010 0.000 1.058 195 F CA -1.135 56.860 58.000 -0.008 0.000 0.944 195 F CB 0.985 39.983 39.000 -0.003 0.000 1.245 195 F HN 0.285 nan 8.300 nan 0.000 0.477 196 D N 2.444 122.975 120.400 0.220 0.000 2.982 196 D HA 0.090 4.730 4.640 -0.000 0.000 0.238 196 D C -0.167 176.215 176.300 0.136 0.000 1.168 196 D CA 0.346 54.414 54.000 0.114 0.000 0.947 196 D CB -0.049 40.804 40.800 0.088 0.000 1.147 196 D HN 0.243 nan 8.370 nan 0.000 0.450 197 R N -0.035 120.570 120.500 0.174 0.000 2.670 197 R HA 0.595 4.935 4.340 -0.000 0.000 0.289 197 R C 0.373 176.681 176.300 0.013 0.000 0.965 197 R CA -0.717 55.478 56.100 0.158 0.000 0.899 197 R CB 2.181 32.694 30.300 0.354 0.000 1.173 197 R HN 0.099 nan 8.270 nan 0.000 0.456 198 G N 0.864 109.640 108.800 -0.041 0.000 2.667 198 G HA2 0.452 4.412 3.960 -0.000 0.000 0.310 198 G HA3 0.452 4.412 3.960 -0.000 0.000 0.310 198 G C -0.752 174.106 174.900 -0.069 0.000 1.259 198 G CA -0.566 44.424 45.100 -0.184 0.000 1.019 198 G HN 0.435 nan 8.290 nan 0.000 0.496 199 Y N -0.840 119.483 120.300 0.038 0.000 2.652 199 Y HA 0.271 4.821 4.550 -0.000 0.000 0.344 199 Y C 1.348 177.313 175.900 0.108 0.000 1.254 199 Y CA -1.030 57.104 58.100 0.057 0.000 1.480 199 Y CB 0.190 38.722 38.460 0.119 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.253 122.721 121.223 0.409 0.000 2.240 200 L HA 0.055 4.395 4.340 -0.000 0.000 0.211 200 L C 0.512 177.592 176.870 0.350 0.000 1.106 200 L CA 1.167 56.211 54.840 0.339 0.000 0.793 200 L CB -0.456 41.771 42.059 0.280 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.125 112.807 115.700 0.386 0.000 2.543 201 S HA 0.485 4.955 4.470 -0.000 0.000 0.274 201 S C -2.756 171.695 174.600 -0.248 0.000 1.149 201 S CA -1.202 57.045 58.200 0.078 0.000 0.866 201 S CB 2.042 65.267 63.200 0.042 0.000 1.111 201 S HN -0.286 nan 8.310 nan 0.000 0.457 202 P HA 0.209 nan 4.420 nan 0.000 0.317 202 P C 0.260 177.245 177.300 -0.525 0.000 1.427 202 P CA 0.558 63.178 63.100 -0.799 0.000 0.820 202 P CB -0.156 31.076 31.700 -0.781 0.000 1.894 203 Y N -4.554 115.571 120.300 -0.292 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.959 177.736 175.900 -0.206 0.000 1.055 203 Y CA 1.478 59.419 58.100 -0.265 0.000 2.997 203 Y CB -3.174 35.074 38.460 -0.353 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.483 120.442 119.950 0.015 0.000 2.236 204 F HA -0.122 4.405 4.527 -0.000 0.000 0.302 204 F C 1.499 177.299 175.800 -0.001 0.000 1.073 204 F CA 0.963 58.970 58.000 0.012 0.000 1.336 204 F CB -0.751 38.252 39.000 0.004 0.000 1.040 204 F HN -0.009 nan 8.300 nan 0.000 0.507 205 I N 2.481 123.120 120.570 0.115 0.000 2.943 205 I HA -0.221 3.949 4.170 -0.000 0.000 0.296 205 I C 0.759 176.921 176.117 0.076 0.000 1.220 205 I CA 0.526 61.866 61.300 0.067 0.000 1.409 205 I CB -0.112 37.877 38.000 -0.019 0.000 1.374 205 I HN 0.235 nan 8.210 nan 0.000 0.545 206 N N 4.833 123.581 118.700 0.080 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.019 175.521 175.510 0.050 0.000 1.151 206 N CA -0.133 52.956 53.050 0.065 0.000 0.878 206 N CB 0.479 39.007 38.487 0.068 0.000 1.014 206 N HN 0.483 nan 8.380 nan 0.000 0.512 207 K N 1.158 121.588 120.400 0.051 0.000 2.842 207 K HA 0.246 4.566 4.320 -0.000 0.000 0.176 207 K C -2.153 174.471 176.600 0.040 0.000 1.080 207 K CA -1.560 54.752 56.287 0.042 0.000 0.954 207 K CB 1.880 34.404 32.500 0.041 0.000 1.203 207 K HN 0.002 nan 8.250 nan 0.000 0.611 208 P HA -0.172 nan 4.420 nan 0.000 0.231 208 P C 0.197 177.510 177.300 0.022 0.000 1.154 208 P CA 1.082 64.197 63.100 0.025 0.000 0.762 208 P CB 0.505 32.217 31.700 0.020 0.000 0.790 209 E N -0.146 120.068 120.200 0.024 0.000 2.021 209 E HA -0.073 4.276 4.350 -0.000 0.000 0.189 209 E C 2.065 178.676 176.600 0.019 0.000 0.980 209 E CA 1.683 58.094 56.400 0.018 0.000 0.803 209 E CB -0.922 28.789 29.700 0.018 0.000 0.766 209 E HN 0.194 nan 8.360 nan 0.000 0.449 210 T N -1.274 113.297 114.554 0.028 0.000 2.942 210 T HA 0.110 4.460 4.350 -0.000 0.000 0.265 210 T C 1.354 176.080 174.700 0.043 0.000 1.062 210 T CA 0.920 63.039 62.100 0.032 0.000 1.139 210 T CB 0.008 68.901 68.868 0.042 0.000 0.883 210 T HN 0.421 nan 8.240 nan 0.000 0.468 211 G N 1.066 109.900 108.800 0.056 0.000 2.130 211 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 211 G C 0.035 175.024 174.900 0.148 0.000 0.999 211 G CA -0.058 45.091 45.100 0.081 0.000 0.686 211 G HN 0.907 nan 8.290 nan 0.000 0.515 212 A N -1.519 121.378 122.820 0.127 0.000 2.475 212 A HA 0.989 5.309 4.320 -0.000 0.000 0.281 212 A C -0.267 177.398 177.584 0.135 0.000 1.263 212 A CA -0.145 51.993 52.037 0.169 0.000 0.776 212 A CB 1.641 20.707 19.000 0.111 0.000 1.347 212 A HN 1.243 nan 8.150 nan 0.000 0.443 213 V N 0.235 120.233 119.914 0.139 0.000 2.769 213 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 213 V C -0.299 175.832 176.094 0.062 0.000 1.058 213 V CA -0.422 61.943 62.300 0.107 0.000 0.952 213 V CB 1.625 33.523 31.823 0.126 0.000 1.019 213 V HN 0.909 nan 8.190 nan 0.000 0.445 214 E N 2.821 123.051 120.200 0.050 0.000 2.274 214 E HA 0.613 4.963 4.350 -0.000 0.000 0.269 214 E C -2.010 174.604 176.600 0.024 0.000 0.891 214 E CA -0.537 55.880 56.400 0.028 0.000 0.784 214 E CB 1.674 31.390 29.700 0.025 0.000 1.225 214 E HN 0.623 nan 8.360 nan 0.000 0.412 215 L N 3.415 124.644 121.223 0.010 0.000 2.381 215 L HA 0.521 4.861 4.340 -0.000 0.000 0.274 215 L C -0.415 176.449 176.870 -0.011 0.000 0.988 215 L CA -0.875 53.969 54.840 0.007 0.000 0.824 215 L CB 1.991 44.055 42.059 0.008 0.000 1.263 215 L HN 0.474 nan 8.230 nan 0.000 0.410 216 E N 1.492 121.684 120.200 -0.015 0.000 2.156 216 E HA 0.299 4.649 4.350 -0.000 0.000 0.279 216 E C -0.154 176.411 176.600 -0.058 0.000 0.965 216 E CA -0.540 55.842 56.400 -0.031 0.000 0.789 216 E CB 1.564 31.252 29.700 -0.021 0.000 1.098 216 E HN 0.634 nan 8.360 nan 0.000 0.397 217 S N 1.741 117.392 115.700 -0.081 0.000 3.614 217 S HA -0.124 4.346 4.470 -0.000 0.000 0.360 217 S C -2.033 172.437 174.600 -0.217 0.000 1.023 217 S CA 0.409 58.526 58.200 -0.139 0.000 1.114 217 S CB -1.339 61.782 63.200 -0.131 0.000 0.907 217 S HN 0.513 nan 8.310 nan 0.000 0.470 218 P HA 0.553 nan 4.420 nan 0.000 0.279 218 P C -0.123 177.049 177.300 -0.214 0.000 1.276 218 P CA -0.614 62.398 63.100 -0.146 0.000 0.801 218 P CB 0.548 32.230 31.700 -0.030 0.000 1.127 219 F N -0.540 119.416 119.950 0.011 0.000 2.432 219 F HA 0.478 5.005 4.527 -0.000 0.000 0.329 219 F C 0.743 176.550 175.800 0.012 0.000 1.076 219 F CA -0.449 57.558 58.000 0.012 0.000 1.018 219 F CB 0.899 39.906 39.000 0.012 0.000 1.201 219 F HN 0.045 nan 8.300 nan 0.000 0.489 220 I N 3.105 123.817 120.570 0.237 0.000 2.569 220 I HA 0.389 4.559 4.170 -0.000 0.000 0.296 220 I C -1.430 174.750 176.117 0.105 0.000 1.028 220 I CA -1.120 60.260 61.300 0.134 0.000 1.082 220 I CB 2.090 40.150 38.000 0.100 0.000 1.264 220 I HN 0.234 nan 8.210 nan 0.000 0.429 221 L N 6.857 128.122 121.223 0.070 0.000 2.298 221 L HA 0.526 4.866 4.340 -0.000 0.000 0.284 221 L C -1.095 175.794 176.870 0.032 0.000 1.013 221 L CA -0.189 54.677 54.840 0.043 0.000 0.824 221 L CB 0.983 43.060 42.059 0.031 0.000 1.221 221 L HN 0.472 nan 8.230 nan 0.000 0.418 222 L N 6.149 127.386 121.223 0.023 0.000 2.301 222 L HA 0.799 5.139 4.340 -0.000 0.000 0.278 222 L C -0.285 176.587 176.870 0.003 0.000 1.022 222 L CA -0.426 54.420 54.840 0.010 0.000 0.854 222 L CB 1.182 43.247 42.059 0.009 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.835 124.655 122.820 0.001 0.000 2.381 223 A HA 0.448 4.768 4.320 -0.000 0.000 0.299 223 A C -1.077 176.506 177.584 -0.002 0.000 1.049 223 A CA -0.584 51.453 52.037 0.001 0.000 0.715 223 A CB 1.476 20.479 19.000 0.005 0.000 1.222 223 A HN 0.639 nan 8.150 nan 0.000 0.428 224 D N 2.509 122.906 120.400 -0.004 0.000 2.422 224 D HA 0.490 5.130 4.640 -0.000 0.000 0.227 224 D C -0.054 176.248 176.300 0.003 0.000 1.190 224 D CA 0.410 54.408 54.000 -0.004 0.000 0.905 224 D CB -0.276 40.519 40.800 -0.008 0.000 1.034 224 D HN 0.705 nan 8.370 nan 0.000 0.507 225 K N 0.740 121.145 120.400 0.008 0.000 3.663 225 K HA 0.129 4.449 4.320 -0.000 0.000 0.413 225 K C -1.407 175.204 176.600 0.018 0.000 1.089 225 K CA -1.131 55.164 56.287 0.013 0.000 0.860 225 K CB 0.239 32.746 32.500 0.011 0.000 1.492 225 K HN 0.027 nan 8.250 nan 0.000 0.517 226 K N 0.858 121.270 120.400 0.021 0.000 2.118 226 K HA 0.514 4.834 4.320 -0.000 0.000 0.264 226 K C -0.504 176.111 176.600 0.025 0.000 1.000 226 K CA -0.627 55.675 56.287 0.025 0.000 0.929 226 K CB 0.883 33.399 32.500 0.026 0.000 1.021 226 K HN 0.378 nan 8.250 nan 0.000 0.463 227 I N 1.666 122.254 120.570 0.030 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.160 176.298 176.117 0.035 0.000 1.023 227 I CA -0.108 61.211 61.300 0.031 0.000 1.100 227 I CB 1.912 39.932 38.000 0.033 0.000 1.238 227 I HN 0.623 nan 8.210 nan 0.000 0.445 228 S N 2.819 118.537 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.722 175.338 174.600 0.027 0.000 1.078 228 S CA -0.123 58.095 58.200 0.030 0.000 0.867 228 S CB 0.285 63.500 63.200 0.026 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.918 121.631 118.700 0.022 0.000 2.399 229 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 229 N C 0.681 176.202 175.510 0.019 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.842 39.338 38.487 0.014 0.000 1.156 229 N HN 0.336 nan 8.380 nan 0.000 0.489 230 I N 3.233 123.816 120.570 0.021 0.000 2.423 230 I HA -0.297 3.873 4.170 -0.000 0.000 0.254 230 I C 1.906 178.033 176.117 0.016 0.000 1.151 230 I CA 1.184 62.498 61.300 0.022 0.000 1.421 230 I CB 0.204 38.217 38.000 0.023 0.000 1.079 230 I HN 0.429 nan 8.210 nan 0.000 0.431 231 R N 0.828 121.335 120.500 0.013 0.000 2.119 231 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 231 R C 1.941 178.246 176.300 0.007 0.000 1.146 231 R CA 2.168 58.273 56.100 0.009 0.000 0.962 231 R CB -0.481 29.824 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.185 120.020 120.200 0.009 0.000 2.265 232 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 232 E C 1.903 178.506 176.600 0.005 0.000 0.996 232 E CA 0.845 57.249 56.400 0.006 0.000 0.832 232 E CB 0.028 29.733 29.700 0.009 0.000 0.756 232 E HN 0.272 nan 8.360 nan 0.000 0.491 233 M N 0.190 119.795 119.600 0.009 0.000 2.115 233 M HA -0.046 4.434 4.480 -0.000 0.000 0.261 233 M C 2.398 178.698 176.300 0.001 0.000 1.079 233 M CA 1.074 56.378 55.300 0.008 0.000 1.143 233 M CB -1.030 31.580 32.600 0.018 0.000 1.332 233 M HN 0.139 nan 8.290 nan 0.000 0.421 234 L N 0.636 121.861 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.439 176.425 176.870 -0.010 0.000 1.106 234 L CA 2.074 56.913 54.840 -0.001 0.000 0.827 234 L CB -2.856 39.203 42.059 0.000 0.000 0.915 234 L HN 0.218 nan 8.230 nan 0.000 0.448 235 P HA -0.110 nan 4.420 nan 0.000 0.226 235 P C 1.376 178.657 177.300 -0.032 0.000 1.146 235 P CA 1.372 64.460 63.100 -0.019 0.000 0.773 235 P CB 0.204 31.895 31.700 -0.016 0.000 0.772 236 V N -1.334 118.560 119.914 -0.033 0.000 3.371 236 V HA 0.071 4.191 4.120 -0.000 0.000 0.246 236 V C 2.445 178.508 176.094 -0.051 0.000 1.303 236 V CA 0.237 62.505 62.300 -0.054 0.000 1.156 236 V CB -0.490 31.303 31.823 -0.049 0.000 0.929 236 V HN -0.042 nan 8.190 nan 0.000 0.459 237 L N 0.265 121.474 121.223 -0.023 0.000 2.456 237 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 237 L C 2.223 179.087 176.870 -0.010 0.000 1.148 237 L CA 1.459 56.294 54.840 -0.008 0.000 0.825 237 L CB -0.174 41.891 42.059 0.009 0.000 0.937 237 L HN 0.466 nan 8.230 nan 0.000 0.450 238 E N -0.468 119.720 120.200 -0.020 0.000 2.251 238 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 238 E C 2.125 178.706 176.600 -0.031 0.000 0.964 238 E CA 0.618 57.008 56.400 -0.017 0.000 0.868 238 E CB 0.145 29.837 29.700 -0.013 0.000 0.828 238 E HN 0.386 nan 8.360 nan 0.000 0.481 239 A N 0.967 123.753 122.820 -0.057 0.000 2.168 239 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 239 A C 1.986 179.496 177.584 -0.123 0.000 1.152 239 A CA 0.656 52.642 52.037 -0.085 0.000 0.716 239 A CB 0.089 19.023 19.000 -0.110 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.270 118.583 119.914 -0.102 0.000 3.621 240 V HA 0.142 4.262 4.120 -0.000 0.000 0.285 240 V C 2.320 178.425 176.094 0.019 0.000 1.346 240 V CA 0.831 63.081 62.300 -0.083 0.000 1.104 240 V CB 0.036 31.814 31.823 -0.076 0.000 0.913 240 V HN 0.531 nan 8.190 nan 0.000 0.432 241 A N -0.276 122.550 122.820 0.010 0.000 1.975 241 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 241 A C 1.441 179.047 177.584 0.037 0.000 1.170 241 A CA 0.712 52.767 52.037 0.029 0.000 0.656 241 A CB 0.022 19.033 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.138 118.277 120.400 0.025 0.000 2.118 242 K HA 0.431 4.751 4.320 -0.000 0.000 0.240 242 K C 1.069 177.713 176.600 0.073 0.000 1.035 242 K CA 0.304 56.612 56.287 0.034 0.000 0.899 242 K CB 0.324 32.833 32.500 0.015 0.000 1.085 242 K HN 0.598 nan 8.250 nan 0.000 0.498 243 A N 0.308 123.177 122.820 0.082 0.000 4.115 243 A HA -0.241 4.079 4.320 -0.000 0.000 0.268 243 A C 1.205 178.864 177.584 0.124 0.000 0.917 243 A CA 1.810 53.923 52.037 0.127 0.000 1.090 243 A CB -2.439 16.699 19.000 0.231 0.000 1.067 243 A HN 1.393 nan 8.150 nan 0.000 0.828 244 G N -1.248 107.615 108.800 0.105 0.000 2.321 244 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G C -0.019 174.937 174.900 0.094 0.000 1.018 244 G CA 1.512 46.663 45.100 0.085 0.000 0.855 244 G HN 1.170 nan 8.290 nan 0.000 0.507 245 K N 0.746 121.240 120.400 0.157 0.000 2.164 245 K HA 0.517 4.837 4.320 -0.000 0.000 0.258 245 K C -2.005 174.699 176.600 0.174 0.000 0.951 245 K CA -1.995 54.367 56.287 0.126 0.000 0.844 245 K CB 2.352 34.877 32.500 0.041 0.000 1.099 245 K HN 0.070 nan 8.250 nan 0.000 0.435 246 P HA 0.117 nan 4.420 nan 0.000 0.274 246 P C -1.120 176.273 177.300 0.155 0.000 1.260 246 P CA -0.524 62.642 63.100 0.110 0.000 0.793 246 P CB 0.643 32.384 31.700 0.067 0.000 1.048 247 L N 0.266 121.563 121.223 0.125 0.000 2.401 247 L HA 0.567 4.906 4.340 -0.000 0.000 0.266 247 L C -1.421 175.488 176.870 0.066 0.000 0.991 247 L CA -1.045 53.874 54.840 0.131 0.000 0.818 247 L CB 1.691 43.822 42.059 0.119 0.000 1.321 247 L HN 0.175 nan 8.230 nan 0.000 0.413 248 L N 5.092 126.354 121.223 0.066 0.000 2.322 248 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 248 L C -1.214 175.672 176.870 0.028 0.000 1.014 248 L CA -0.231 54.622 54.840 0.022 0.000 0.815 248 L CB 1.438 43.517 42.059 0.034 0.000 1.247 248 L HN 0.430 nan 8.230 nan 0.000 0.421 249 I N 6.792 127.360 120.570 -0.004 0.000 2.362 249 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 249 I C -0.389 175.743 176.117 0.025 0.000 0.994 249 I CA -0.286 61.021 61.300 0.012 0.000 1.158 249 I CB 1.224 39.227 38.000 0.004 0.000 1.315 249 I HN 0.533 nan 8.210 nan 0.000 0.451 250 I N 5.715 126.305 120.570 0.034 0.000 2.439 250 I HA 0.680 4.850 4.170 -0.000 0.000 0.283 250 I C -0.038 176.085 176.117 0.009 0.000 1.023 250 I CA -0.244 61.074 61.300 0.030 0.000 1.100 250 I CB 1.794 39.812 38.000 0.032 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.324 127.149 122.820 0.010 0.000 2.588 251 A HA 0.424 4.744 4.320 -0.000 0.000 0.290 251 A C 0.616 178.206 177.584 0.010 0.000 1.136 251 A CA -0.540 51.501 52.037 0.007 0.000 0.681 251 A CB 1.399 20.409 19.000 0.017 0.000 1.282 251 A HN 0.715 nan 8.150 nan 0.000 0.421 252 E N -0.578 119.629 120.200 0.012 0.000 2.147 252 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 252 E C 0.122 176.741 176.600 0.031 0.000 1.005 252 E CA 2.122 58.534 56.400 0.020 0.000 0.810 252 E CB 0.072 29.786 29.700 0.023 0.000 0.736 252 E HN 0.639 nan 8.360 nan 0.000 0.460 253 D N -3.108 117.313 120.400 0.034 0.000 2.940 253 D HA 0.109 4.749 4.640 -0.000 0.000 0.304 253 D C -2.080 174.249 176.300 0.049 0.000 1.255 253 D CA -0.362 53.665 54.000 0.045 0.000 0.734 253 D CB 0.999 41.825 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.518 121.468 119.914 0.061 0.000 2.610 254 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 254 V C -0.551 175.585 176.094 0.071 0.000 1.067 254 V CA -0.686 61.654 62.300 0.067 0.000 0.894 254 V CB 1.590 33.464 31.823 0.085 0.000 1.015 254 V HN 0.443 nan 8.190 nan 0.000 0.432 255 E N 2.396 122.630 120.200 0.057 0.000 2.250 255 E HA 0.464 4.814 4.350 -0.000 0.000 0.269 255 E C 1.422 178.052 176.600 0.051 0.000 1.018 255 E CA -0.138 56.293 56.400 0.052 0.000 0.873 255 E CB 1.634 31.358 29.700 0.040 0.000 1.134 255 E HN 0.774 nan 8.360 nan 0.000 0.403 256 G N 1.649 110.477 108.800 0.047 0.000 3.437 256 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G C 1.220 176.141 174.900 0.036 0.000 1.054 256 G CA 1.663 46.787 45.100 0.040 0.000 0.704 256 G HN 0.542 nan 8.290 nan 0.000 0.713 257 E N 0.718 120.939 120.200 0.034 0.000 2.002 257 E HA 0.132 4.482 4.350 -0.000 0.000 0.196 257 E C 2.941 179.562 176.600 0.036 0.000 0.974 257 E CA 0.953 57.371 56.400 0.029 0.000 0.853 257 E CB -0.861 28.855 29.700 0.025 0.000 0.808 257 E HN 0.329 nan 8.360 nan 0.000 0.492 258 A N 1.006 123.850 122.820 0.041 0.000 2.234 258 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 258 A C 2.074 179.701 177.584 0.073 0.000 1.167 258 A CA 1.152 53.219 52.037 0.050 0.000 0.698 258 A CB -0.469 18.561 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.604 120.665 121.223 0.077 0.000 2.056 259 L HA 0.205 4.545 4.340 -0.000 0.000 0.202 259 L C 2.514 179.431 176.870 0.079 0.000 1.086 259 L CA 2.114 57.019 54.840 0.108 0.000 0.758 259 L CB -1.004 41.118 42.059 0.105 0.000 0.912 259 L HN 0.226 nan 8.230 nan 0.000 0.446 260 A N -1.678 121.169 122.820 0.045 0.000 2.234 260 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 260 A C 2.056 179.638 177.584 -0.004 0.000 1.167 260 A CA 1.872 53.915 52.037 0.009 0.000 0.698 260 A CB -1.059 17.945 19.000 0.006 0.000 0.779 260 A HN 0.596 nan 8.150 nan 0.000 0.475 261 T N -0.085 114.481 114.554 0.021 0.000 2.814 261 T HA 0.052 4.402 4.350 -0.000 0.000 0.254 261 T C 1.758 176.474 174.700 0.027 0.000 1.037 261 T CA 1.175 63.286 62.100 0.019 0.000 1.143 261 T CB -0.242 68.644 68.868 0.031 0.000 0.866 261 T HN 0.410 nan 8.240 nan 0.000 0.431 262 L N 1.117 122.382 121.223 0.070 0.000 2.156 262 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 262 L C 2.530 179.436 176.870 0.060 0.000 1.095 262 L CA 0.596 55.506 54.840 0.116 0.000 0.770 262 L CB -0.721 41.473 42.059 0.225 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.438 119.452 119.914 -0.040 0.000 2.688 263 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 263 V C 2.140 178.109 176.094 -0.208 0.000 1.084 263 V CA 1.306 63.458 62.300 -0.247 0.000 1.103 263 V CB -0.176 31.522 31.823 -0.208 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -0.998 118.846 119.914 -0.117 0.000 3.048 264 V HA -0.013 4.107 4.120 -0.000 0.000 0.241 264 V C 1.912 177.970 176.094 -0.061 0.000 1.129 264 V CA 1.104 63.337 62.300 -0.112 0.000 1.128 264 V CB -0.478 31.290 31.823 -0.091 0.000 0.849 264 V HN 0.497 nan 8.190 nan 0.000 0.475 265 N N 0.983 119.671 118.700 -0.020 0.000 2.084 265 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 265 N C 1.780 177.300 175.510 0.017 0.000 1.030 265 N CA 1.905 54.958 53.050 0.005 0.000 0.849 265 N CB -0.046 38.457 38.487 0.026 0.000 1.012 265 N HN 0.588 nan 8.380 nan 0.000 0.423 266 T N -1.654 112.925 114.554 0.041 0.000 3.194 266 T HA 0.069 4.419 4.350 -0.000 0.000 0.251 266 T C 1.408 176.124 174.700 0.026 0.000 1.132 266 T CA 0.132 62.270 62.100 0.063 0.000 1.028 266 T CB 0.103 69.056 68.868 0.141 0.000 0.976 266 T HN 0.032 nan 8.240 nan 0.000 0.535 267 M N 0.657 120.244 119.600 -0.023 0.000 2.466 267 M HA 0.390 4.870 4.480 -0.000 0.000 0.265 267 M C 2.151 178.428 176.300 -0.039 0.000 1.122 267 M CA 1.045 56.310 55.300 -0.058 0.000 1.157 267 M CB 0.108 32.630 32.600 -0.131 0.000 1.352 267 M HN 0.062 nan 8.290 nan 0.000 0.464 268 R N -0.552 119.930 120.500 -0.029 0.000 2.297 268 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 268 R C 0.876 177.174 176.300 -0.004 0.000 0.943 268 R CA 0.709 56.797 56.100 -0.020 0.000 1.038 268 R CB 0.096 30.384 30.300 -0.020 0.000 0.957 268 R HN 0.598 nan 8.270 nan 0.000 0.484 269 G N 1.130 109.934 108.800 0.007 0.000 2.148 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G C 0.120 175.034 174.900 0.023 0.000 0.993 269 G CA -0.533 44.578 45.100 0.018 0.000 0.661 269 G HN 0.209 nan 8.290 nan 0.000 0.518 270 I N 1.916 122.499 120.570 0.022 0.000 2.241 270 I HA 0.383 4.553 4.170 -0.000 0.000 0.294 270 I C 0.821 176.962 176.117 0.039 0.000 1.145 270 I CA -0.768 60.547 61.300 0.025 0.000 1.261 270 I CB 0.606 38.617 38.000 0.017 0.000 1.475 270 I HN 0.098 nan 8.210 nan 0.000 0.533 271 V N 4.667 124.608 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.189 176.328 176.094 0.076 0.000 0.682 271 V CA 0.426 62.762 62.300 0.060 0.000 1.959 271 V CB -1.505 30.352 31.823 0.056 0.000 2.372 271 V HN 0.756 nan 8.190 nan 0.000 0.501 272 K N 3.972 124.421 120.400 0.083 0.000 2.368 272 K HA 0.689 5.009 4.320 -0.000 0.000 0.282 272 K C -0.172 176.496 176.600 0.114 0.000 1.035 272 K CA -0.117 56.233 56.287 0.105 0.000 0.973 272 K CB 1.330 33.886 32.500 0.094 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.653 120.658 119.914 0.153 0.000 3.159 273 V HA 0.867 4.987 4.120 -0.000 0.000 0.308 273 V C -1.144 174.974 176.094 0.039 0.000 1.190 273 V CA -1.061 61.302 62.300 0.104 0.000 1.037 273 V CB 2.242 34.130 31.823 0.109 0.000 1.060 273 V HN 0.822 nan 8.190 nan 0.000 0.437 274 A N 1.339 124.025 122.820 -0.224 0.000 2.594 274 A HA 1.039 5.359 4.320 -0.000 0.000 0.295 274 A C -0.912 176.372 177.584 -0.500 0.000 1.071 274 A CA -0.053 51.491 52.037 -0.821 0.000 0.685 274 A CB 1.963 20.604 19.000 -0.599 0.000 1.285 274 A HN 1.956 nan 8.150 nan 0.000 0.405 275 A N 0.165 122.630 122.820 -0.590 0.000 2.498 275 A HA 0.929 5.249 4.320 -0.000 0.000 0.298 275 A C -0.668 176.867 177.584 -0.080 0.000 1.075 275 A CA -0.092 51.831 52.037 -0.189 0.000 0.714 275 A CB 1.571 20.535 19.000 -0.060 0.000 1.299 275 A HN 2.364 nan 8.150 nan 0.000 0.407 276 V N -1.350 118.576 119.914 0.019 0.000 2.969 276 V HA 0.555 4.675 4.120 -0.000 0.000 0.304 276 V C -0.601 175.550 176.094 0.094 0.000 1.192 276 V CA -1.333 61.018 62.300 0.085 0.000 0.962 276 V CB 1.320 33.222 31.823 0.132 0.000 1.045 276 V HN 0.911 nan 8.190 nan 0.000 0.428 277 K N 2.229 122.684 120.400 0.093 0.000 2.469 277 K HA 0.503 4.823 4.320 -0.000 0.000 0.274 277 K C 0.796 177.414 176.600 0.031 0.000 0.983 277 K CA 0.527 56.851 56.287 0.063 0.000 0.974 277 K CB 0.745 33.284 32.500 0.065 0.000 0.913 277 K HN 1.150 nan 8.250 nan 0.000 0.493 278 A N 4.215 127.022 122.820 -0.022 0.000 2.364 278 A HA 0.179 4.499 4.320 -0.000 0.000 0.258 278 A C -2.023 175.462 177.584 -0.166 0.000 1.131 278 A CA -0.757 51.205 52.037 -0.125 0.000 0.800 278 A CB -0.487 18.458 19.000 -0.091 0.000 1.086 278 A HN 0.546 nan 8.150 nan 0.000 0.508 279 P HA 0.402 nan 4.420 nan 0.000 0.284 279 P C 0.699 177.963 177.300 -0.060 0.000 1.253 279 P CA 1.118 64.077 63.100 -0.234 0.000 0.800 279 P CB 0.869 32.326 31.700 -0.406 0.000 0.961 280 G N 2.877 111.703 108.800 0.044 0.000 2.581 280 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G C -0.510 174.552 174.900 0.270 0.000 1.277 280 G CA 0.732 45.928 45.100 0.159 0.000 0.959 280 G HN 0.774 nan 8.290 nan 0.000 0.554 281 F N -3.432 116.516 119.950 -0.003 0.000 2.831 281 F HA 0.724 5.251 4.527 -0.000 0.000 0.318 281 F C 0.926 176.732 175.800 0.010 0.000 1.174 281 F CA 0.395 58.397 58.000 0.003 0.000 0.918 281 F CB 0.701 39.709 39.000 0.013 0.000 1.364 281 F HN 2.453 nan 8.300 nan 0.000 0.475 282 G N 0.988 109.796 108.800 0.012 0.000 2.527 282 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G C 0.158 175.000 174.900 -0.097 0.000 1.175 282 G CA 0.505 45.547 45.100 -0.097 0.000 0.962 282 G HN 0.913 nan 8.290 nan 0.000 0.560 283 D N 0.971 121.296 120.400 -0.124 0.000 2.249 283 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 283 D C 2.536 178.777 176.300 -0.099 0.000 0.962 283 D CA 1.187 55.137 54.000 -0.083 0.000 0.860 283 D CB -0.020 40.743 40.800 -0.061 0.000 0.955 283 D HN 0.634 nan 8.370 nan 0.000 0.505 284 R N 1.120 121.529 120.500 -0.151 0.000 2.276 284 R HA 0.068 4.408 4.340 -0.000 0.000 0.203 284 R C 2.092 178.320 176.300 -0.121 0.000 1.017 284 R CA 0.343 56.361 56.100 -0.137 0.000 1.010 284 R CB -0.230 29.967 30.300 -0.171 0.000 0.900 284 R HN 0.004 nan 8.270 nan 0.000 0.469 285 R N 2.128 122.558 120.500 -0.117 0.000 2.066 285 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 285 R C 1.234 177.492 176.300 -0.070 0.000 1.131 285 R CA 1.533 57.586 56.100 -0.079 0.000 0.955 285 R CB -0.050 30.230 30.300 -0.033 0.000 0.851 285 R HN 0.221 nan 8.270 nan 0.000 0.432 286 K N -0.085 120.281 120.400 -0.056 0.000 2.442 286 K HA -0.025 4.295 4.320 -0.000 0.000 0.198 286 K C 1.691 178.261 176.600 -0.049 0.000 1.042 286 K CA 0.910 57.170 56.287 -0.045 0.000 0.958 286 K CB 0.171 32.651 32.500 -0.033 0.000 0.766 286 K HN 0.273 nan 8.250 nan 0.000 0.474 287 A N 0.920 123.704 122.820 -0.060 0.000 1.909 287 A HA 0.063 4.383 4.320 -0.000 0.000 0.209 287 A C 2.045 179.592 177.584 -0.063 0.000 1.247 287 A CA 0.249 52.252 52.037 -0.056 0.000 0.660 287 A CB -0.217 18.748 19.000 -0.058 0.000 0.910 287 A HN 0.047 nan 8.150 nan 0.000 0.465 288 M N -0.360 119.192 119.600 -0.079 0.000 2.082 288 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 288 M C 2.254 178.493 176.300 -0.102 0.000 1.069 288 M CA 1.869 57.114 55.300 -0.091 0.000 1.102 288 M CB -0.499 32.032 32.600 -0.116 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.190 121.346 121.223 -0.112 0.000 2.127 289 L HA -0.282 4.058 4.340 -0.000 0.000 0.211 289 L C 2.486 179.317 176.870 -0.065 0.000 1.089 289 L CA 1.567 56.342 54.840 -0.109 0.000 0.757 289 L CB -0.262 41.742 42.059 -0.092 0.000 0.899 289 L HN 0.318 nan 8.230 nan 0.000 0.434 290 Q N 0.047 119.817 119.800 -0.051 0.000 2.167 290 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 290 Q C 1.669 177.654 176.000 -0.025 0.000 0.970 290 Q CA 2.005 57.789 55.803 -0.032 0.000 0.855 290 Q CB -0.177 28.544 28.738 -0.028 0.000 0.911 290 Q HN 0.545 nan 8.270 nan 0.000 0.438 291 D N 0.170 120.552 120.400 -0.030 0.000 2.084 291 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 291 D C 1.900 178.197 176.300 -0.005 0.000 0.990 291 D CA 1.414 55.404 54.000 -0.017 0.000 0.826 291 D CB -0.287 40.502 40.800 -0.019 0.000 0.971 291 D HN 0.359 nan 8.370 nan 0.000 0.453 292 I N 1.352 121.916 120.570 -0.010 0.000 2.300 292 I HA -0.321 3.849 4.170 -0.000 0.000 0.252 292 I C 2.446 178.575 176.117 0.019 0.000 1.119 292 I CA 1.077 62.386 61.300 0.015 0.000 1.384 292 I CB -0.210 37.788 38.000 -0.003 0.000 1.062 292 I HN -0.056 nan 8.210 nan 0.000 0.426 293 A N 0.436 123.259 122.820 0.006 0.000 1.855 293 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 293 A C 2.377 179.970 177.584 0.015 0.000 1.191 293 A CA 2.344 54.388 52.037 0.012 0.000 0.613 293 A CB -1.106 17.896 19.000 0.004 0.000 0.829 293 A HN 0.366 nan 8.150 nan 0.000 0.442 294 T N 0.735 115.294 114.554 0.008 0.000 2.720 294 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 294 T C 1.828 176.536 174.700 0.013 0.000 1.037 294 T CA 1.297 63.402 62.100 0.009 0.000 1.144 294 T CB -0.357 68.513 68.868 0.003 0.000 0.864 294 T HN 0.297 nan 8.240 nan 0.000 0.444 295 L N 2.159 123.391 121.223 0.016 0.000 2.131 295 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 295 L C 1.844 178.728 176.870 0.024 0.000 1.092 295 L CA 2.165 57.017 54.840 0.020 0.000 0.759 295 L CB -1.233 40.843 42.059 0.028 0.000 0.903 295 L HN 0.460 nan 8.230 nan 0.000 0.435 296 T N -3.788 110.783 114.554 0.029 0.000 3.248 296 T HA 0.364 4.714 4.350 -0.000 0.000 0.271 296 T C 1.036 175.758 174.700 0.037 0.000 1.005 296 T CA 0.128 62.248 62.100 0.033 0.000 0.902 296 T CB -0.318 68.577 68.868 0.044 0.000 1.102 296 T HN 0.517 nan 8.240 nan 0.000 0.548 297 G N 0.201 109.019 108.800 0.030 0.000 2.386 297 G HA2 0.139 4.099 3.960 -0.000 0.000 0.295 297 G HA3 0.139 4.099 3.960 -0.000 0.000 0.295 297 G C 0.381 175.306 174.900 0.042 0.000 0.979 297 G CA 0.008 45.127 45.100 0.032 0.000 1.193 297 G HN 1.140 nan 8.290 nan 0.000 0.508 298 G N -1.552 107.270 108.800 0.037 0.000 3.135 298 G HA2 0.924 4.884 3.960 -0.000 0.000 0.278 298 G HA3 0.924 4.884 3.960 -0.000 0.000 0.278 298 G C -0.665 174.249 174.900 0.023 0.000 1.302 298 G CA 0.305 45.428 45.100 0.038 0.000 0.880 298 G HN 0.840 nan 8.290 nan 0.000 0.574 299 T N -0.462 114.103 114.554 0.018 0.000 2.916 299 T HA 0.520 4.870 4.350 -0.000 0.000 0.305 299 T C -0.645 174.058 174.700 0.005 0.000 1.119 299 T CA -0.369 61.737 62.100 0.009 0.000 1.008 299 T CB 1.961 70.832 68.868 0.006 0.000 1.129 299 T HN 0.426 nan 8.240 nan 0.000 0.480 300 V N 2.849 122.763 119.914 -0.000 0.000 2.583 300 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 300 V C 0.013 176.104 176.094 -0.004 0.000 1.051 300 V CA -0.443 61.854 62.300 -0.004 0.000 1.010 300 V CB 0.673 32.490 31.823 -0.010 0.000 0.988 300 V HN 0.723 nan 8.190 nan 0.000 0.478 301 I N 5.059 125.627 120.570 -0.003 0.000 2.412 301 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 301 I C 0.311 176.427 176.117 -0.002 0.000 1.063 301 I CA 0.064 61.362 61.300 -0.003 0.000 1.193 301 I CB 0.897 38.896 38.000 -0.001 0.000 1.370 301 I HN 0.724 nan 8.210 nan 0.000 0.479 302 S N 2.703 118.401 115.700 -0.003 0.000 2.621 302 S HA 0.454 4.924 4.470 -0.000 0.000 0.302 302 S C 0.459 175.059 174.600 -0.001 0.000 1.093 302 S CA -0.832 57.367 58.200 -0.002 0.000 1.017 302 S CB 2.157 65.355 63.200 -0.004 0.000 1.077 302 S HN 0.552 nan 8.310 nan 0.000 0.517 303 E N 0.342 120.543 120.200 0.001 0.000 2.442 303 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 303 E C 1.068 177.669 176.600 0.001 0.000 1.030 303 E CA 0.321 56.722 56.400 0.002 0.000 0.869 303 E CB -0.023 29.679 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.455 120.655 120.200 0.000 0.000 2.338 304 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 304 E C 1.419 178.018 176.600 -0.001 0.000 1.007 304 E CA 0.685 57.085 56.400 -0.000 0.000 0.849 304 E CB 0.154 29.853 29.700 -0.001 0.000 0.774 304 E HN 0.341 nan 8.360 nan 0.000 0.506 305 I N -0.930 119.639 120.570 -0.001 0.000 4.154 305 I HA 0.191 4.361 4.170 -0.000 0.000 0.334 305 I C 0.879 176.996 176.117 -0.001 0.000 1.371 305 I CA 0.027 61.326 61.300 -0.002 0.000 1.110 305 I CB 1.003 39.001 38.000 -0.003 0.000 1.085 305 I HN 0.097 nan 8.210 nan 0.000 0.398 306 G N 2.161 110.961 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G C -0.011 174.888 174.900 -0.001 0.000 1.035 306 G CA -0.339 44.760 45.100 -0.000 0.000 0.744 306 G HN 0.238 nan 8.290 nan 0.000 0.501 307 M N 0.300 119.899 119.600 -0.001 0.000 2.300 307 M HA 0.519 4.999 4.480 -0.000 0.000 0.348 307 M C 0.218 176.517 176.300 -0.001 0.000 1.151 307 M CA -0.206 55.093 55.300 -0.002 0.000 1.046 307 M CB 1.452 34.050 32.600 -0.002 0.000 1.647 307 M HN 0.221 nan 8.290 nan 0.000 0.451 308 E N 2.065 122.264 120.200 -0.002 0.000 2.227 308 E HA 0.327 4.677 4.350 -0.000 0.000 0.268 308 E C 0.209 176.807 176.600 -0.003 0.000 0.907 308 E CA -0.561 55.838 56.400 -0.002 0.000 0.786 308 E CB 2.223 31.922 29.700 -0.002 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.608 122.830 121.223 -0.002 0.000 2.456 309 L HA -0.142 4.198 4.340 -0.000 0.000 0.224 309 L C 1.428 178.294 176.870 -0.008 0.000 1.148 309 L CA 0.896 55.733 54.840 -0.004 0.000 0.825 309 L CB -0.203 41.856 42.059 0.000 0.000 0.937 309 L HN 0.520 nan 8.230 nan 0.000 0.450 310 E N 0.355 120.551 120.200 -0.007 0.000 2.158 310 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 310 E C 0.646 177.239 176.600 -0.012 0.000 0.982 310 E CA 0.802 57.197 56.400 -0.009 0.000 0.823 310 E CB 0.125 29.822 29.700 -0.005 0.000 0.766 310 E HN 0.259 nan 8.360 nan 0.000 0.468 311 K N 0.726 121.120 120.400 -0.011 0.000 2.765 311 K HA 0.523 4.843 4.320 -0.000 0.000 0.246 311 K C -0.920 175.671 176.600 -0.015 0.000 1.254 311 K CA -0.235 56.044 56.287 -0.012 0.000 1.219 311 K CB 0.954 33.449 32.500 -0.009 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.113 123.920 122.820 -0.022 0.000 2.442 312 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 312 A C 0.223 177.781 177.584 -0.044 0.000 1.058 312 A CA -0.759 51.261 52.037 -0.028 0.000 0.738 312 A CB 0.735 19.719 19.000 -0.025 0.000 1.242 312 A HN 0.374 nan 8.150 nan 0.000 0.421 313 T N 0.069 114.595 114.554 -0.046 0.000 3.018 313 T HA 0.477 4.827 4.350 -0.000 0.000 0.338 313 T C 1.080 175.717 174.700 -0.105 0.000 1.208 313 T CA -0.151 61.910 62.100 -0.065 0.000 0.963 313 T CB 0.034 68.875 68.868 -0.046 0.000 1.697 313 T HN 0.380 nan 8.240 nan 0.000 0.560 314 L N -0.021 121.122 121.223 -0.133 0.000 2.567 314 L HA 0.269 4.609 4.340 -0.000 0.000 0.225 314 L C 2.764 179.576 176.870 -0.097 0.000 1.119 314 L CA 0.499 55.201 54.840 -0.230 0.000 0.871 314 L CB -0.357 41.515 42.059 -0.312 0.000 1.036 314 L HN 0.795 nan 8.230 nan 0.000 0.459 315 E N 0.524 120.702 120.200 -0.037 0.000 2.170 315 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 315 E C 0.943 177.553 176.600 0.017 0.000 0.981 315 E CA 0.744 57.151 56.400 0.011 0.000 0.830 315 E CB 0.334 30.038 29.700 0.007 0.000 0.775 315 E HN 0.394 nan 8.360 nan 0.000 0.470 316 D N 0.386 120.784 120.400 -0.003 0.000 2.363 316 D HA -0.002 4.637 4.640 -0.000 0.000 0.226 316 D C -0.211 176.099 176.300 0.016 0.000 1.020 316 D CA 0.305 54.308 54.000 0.004 0.000 0.892 316 D CB 0.243 41.038 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.360 121.599 121.223 0.026 0.000 2.357 317 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 317 L C 1.289 178.241 176.870 0.136 0.000 1.080 317 L CA -0.508 54.373 54.840 0.069 0.000 0.803 317 L CB 1.418 43.500 42.059 0.038 0.000 1.174 317 L HN -0.175 nan 8.230 nan 0.000 0.443 318 G N 1.120 109.997 108.800 0.128 0.000 2.599 318 G HA2 0.482 4.442 3.960 -0.000 0.000 0.264 318 G HA3 0.482 4.442 3.960 -0.000 0.000 0.264 318 G C -0.992 173.996 174.900 0.148 0.000 1.200 318 G CA -0.169 44.999 45.100 0.113 0.000 0.896 318 G HN 0.602 nan 8.290 nan 0.000 0.536 319 Q N -0.994 118.851 119.800 0.075 0.000 2.378 319 Q HA 0.551 4.891 4.340 -0.000 0.000 0.262 319 Q C -1.120 174.862 176.000 -0.030 0.000 0.978 319 Q CA -0.719 55.084 55.803 -0.000 0.000 0.918 319 Q CB 1.802 30.519 28.738 -0.034 0.000 1.415 319 Q HN 0.975 nan 8.270 nan 0.000 0.409 320 A N 2.586 125.371 122.820 -0.060 0.000 2.524 320 A HA 0.602 4.922 4.320 -0.000 0.000 0.286 320 A C -0.811 176.730 177.584 -0.071 0.000 1.203 320 A CA -0.646 51.363 52.037 -0.047 0.000 0.736 320 A CB 1.597 20.584 19.000 -0.021 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.520 119.849 120.400 -0.052 0.000 2.387 321 K HA 0.311 4.631 4.320 -0.000 0.000 0.198 321 K C -0.024 176.550 176.600 -0.044 0.000 1.022 321 K CA 0.338 56.593 56.287 -0.054 0.000 1.128 321 K CB 0.356 32.832 32.500 -0.041 0.000 0.853 321 K HN 0.515 nan 8.250 nan 0.000 0.523 322 R N -0.015 120.461 120.500 -0.040 0.000 4.584 322 R HA 0.038 4.378 4.340 -0.000 0.000 0.251 322 R C -2.186 174.096 176.300 -0.029 0.000 0.957 322 R CA -0.481 55.600 56.100 -0.031 0.000 1.195 322 R CB 0.751 31.035 30.300 -0.026 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.215 120.112 119.914 -0.027 0.000 2.932 323 V HA 0.886 5.006 4.120 -0.000 0.000 0.307 323 V C -1.255 174.820 176.094 -0.033 0.000 1.147 323 V CA -0.719 61.560 62.300 -0.035 0.000 0.951 323 V CB 2.207 34.011 31.823 -0.030 0.000 1.031 323 V HN 0.426 nan 8.190 nan 0.000 0.426 324 V N 4.522 124.405 119.914 -0.051 0.000 2.914 324 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 324 V C -0.367 175.689 176.094 -0.063 0.000 1.084 324 V CA -0.496 61.782 62.300 -0.037 0.000 0.963 324 V CB 1.981 33.784 31.823 -0.033 0.000 1.025 324 V HN 1.086 nan 8.190 nan 0.000 0.432 325 I N 0.154 120.710 120.570 -0.022 0.000 2.576 325 I HA 0.505 4.675 4.170 -0.000 0.000 0.279 325 I C -0.102 176.012 176.117 -0.005 0.000 1.114 325 I CA -0.579 60.698 61.300 -0.038 0.000 1.076 325 I CB 1.154 39.150 38.000 -0.007 0.000 1.212 325 I HN 0.435 nan 8.210 nan 0.000 0.472 326 N N 4.588 123.237 118.700 -0.086 0.000 2.255 326 N HA 0.003 4.742 4.740 -0.000 0.000 0.260 326 N C 1.047 176.293 175.510 -0.441 0.000 1.288 326 N CA -0.040 52.938 53.050 -0.120 0.000 0.894 326 N CB 0.733 39.161 38.487 -0.099 0.000 1.033 326 N HN 0.678 nan 8.380 nan 0.000 0.477 327 K N 0.371 120.499 120.400 -0.453 0.000 2.148 327 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 327 K C -0.319 175.905 176.600 -0.628 0.000 1.050 327 K CA 1.786 57.603 56.287 -0.784 0.000 0.942 327 K CB 0.005 32.358 32.500 -0.246 0.000 0.724 327 K HN 0.610 nan 8.250 nan 0.000 0.446 328 D N -1.084 119.118 120.400 -0.329 0.000 2.822 328 D HA 0.103 4.743 4.640 -0.000 0.000 0.327 328 D C -1.146 175.078 176.300 -0.127 0.000 1.577 328 D CA -0.484 53.402 54.000 -0.190 0.000 0.785 328 D CB 0.859 41.596 40.800 -0.106 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.117 114.339 114.554 -0.163 0.000 3.293 329 T HA 0.458 4.808 4.350 -0.000 0.000 0.320 329 T C -0.430 174.142 174.700 -0.213 0.000 0.995 329 T CA -0.455 61.556 62.100 -0.149 0.000 1.041 329 T CB 1.920 70.721 68.868 -0.111 0.000 1.058 329 T HN -0.049 nan 8.240 nan 0.000 0.453 330 T N 1.772 116.112 114.554 -0.357 0.000 2.884 330 T HA 0.817 5.167 4.350 -0.000 0.000 0.277 330 T C -0.050 174.331 174.700 -0.530 0.000 0.976 330 T CA -0.569 61.228 62.100 -0.505 0.000 0.956 330 T CB 1.482 69.821 68.868 -0.882 0.000 1.113 330 T HN 0.715 nan 8.240 nan 0.000 0.554 331 T N 0.895 115.182 114.554 -0.446 0.000 4.349 331 T HA 0.317 4.667 4.350 -0.000 0.000 0.404 331 T C -1.587 173.011 174.700 -0.170 0.000 0.993 331 T CA -0.595 61.331 62.100 -0.290 0.000 1.025 331 T CB -0.177 68.581 68.868 -0.183 0.000 1.219 331 T HN 0.455 nan 8.240 nan 0.000 0.451 332 I N 5.791 126.292 120.570 -0.115 0.000 2.353 332 I HA 0.518 4.688 4.170 -0.000 0.000 0.293 332 I C -0.005 176.095 176.117 -0.028 0.000 0.992 332 I CA -0.957 60.319 61.300 -0.040 0.000 1.268 332 I CB 1.438 39.452 38.000 0.024 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.400 125.954 120.570 -0.026 0.000 2.389 333 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 333 I C -0.654 175.453 176.117 -0.018 0.000 0.999 333 I CA -0.533 60.753 61.300 -0.023 0.000 1.129 333 I CB 1.440 39.423 38.000 -0.027 0.000 1.288 333 I HN 0.610 nan 8.210 nan 0.000 0.444 334 D N 4.641 125.033 120.400 -0.013 0.000 4.597 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.234 334 D C -0.212 176.082 176.300 -0.011 0.000 1.052 334 D CA 1.196 55.189 54.000 -0.012 0.000 1.265 334 D CB 0.186 40.976 40.800 -0.016 0.000 0.738 334 D HN 0.813 nan 8.370 nan 0.000 0.372 335 G N 1.641 110.438 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.178 176.077 174.900 -0.001 0.000 1.177 335 G CA -0.413 44.687 45.100 -0.001 0.000 0.951 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 V N 1.190 121.104 119.914 -0.000 0.000 2.720 336 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 336 V C 2.179 178.278 176.094 0.008 0.000 1.082 336 V CA 1.126 63.428 62.300 0.003 0.000 1.101 336 V CB -1.270 30.558 31.823 0.008 0.000 0.693 336 V HN 0.851 nan 8.190 nan 0.000 0.479 337 G N 1.220 110.027 108.800 0.011 0.000 2.187 337 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.239 337 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.239 337 G C -0.069 174.836 174.900 0.008 0.000 1.200 337 G CA -0.078 45.028 45.100 0.011 0.000 0.888 337 G HN 0.583 nan 8.290 nan 0.000 0.482 338 E N 1.852 122.057 120.200 0.007 0.000 2.331 338 E HA 0.066 4.416 4.350 -0.000 0.000 0.272 338 E C 0.681 177.283 176.600 0.004 0.000 1.036 338 E CA -0.229 56.174 56.400 0.005 0.000 0.864 338 E CB 1.327 31.031 29.700 0.006 0.000 1.035 338 E HN 0.656 nan 8.360 nan 0.000 0.408 339 E N 1.390 121.591 120.200 0.002 0.000 2.527 339 E HA -0.165 4.185 4.350 -0.000 0.000 0.204 339 E C 0.974 177.575 176.600 0.001 0.000 1.132 339 E CA 0.225 56.626 56.400 0.001 0.000 0.905 339 E CB -0.005 29.695 29.700 0.000 0.000 0.875 339 E HN 0.500 nan 8.360 nan 0.000 0.548 340 A N 1.188 124.009 122.820 0.002 0.000 1.884 340 A HA 0.231 4.551 4.320 -0.000 0.000 0.212 340 A C 2.290 179.875 177.584 0.001 0.000 1.265 340 A CA 0.746 52.783 52.037 0.001 0.000 0.626 340 A CB -0.392 18.609 19.000 0.002 0.000 0.943 340 A HN 0.279 nan 8.150 nan 0.000 0.466 341 A N -0.505 122.316 122.820 0.002 0.000 2.119 341 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 341 A C 1.948 179.533 177.584 0.001 0.000 1.153 341 A CA 1.137 53.175 52.037 0.002 0.000 0.692 341 A CB -0.549 18.453 19.000 0.003 0.000 0.799 341 A HN 0.492 nan 8.150 nan 0.000 0.458 342 I N -1.646 118.925 120.570 0.002 0.000 2.429 342 I HA -0.132 4.038 4.170 -0.000 0.000 0.247 342 I C 2.539 178.655 176.117 -0.001 0.000 1.099 342 I CA 1.150 62.451 61.300 0.001 0.000 1.422 342 I CB -0.155 37.847 38.000 0.003 0.000 1.112 342 I HN 0.293 nan 8.210 nan 0.000 0.430 343 Q N 1.258 121.058 119.800 -0.001 0.000 2.364 343 Q HA -0.072 4.268 4.340 -0.000 0.000 0.207 343 Q C 1.861 177.860 176.000 -0.003 0.000 0.970 343 Q CA 1.573 57.375 55.803 -0.002 0.000 0.888 343 Q CB -0.297 28.440 28.738 -0.002 0.000 0.951 343 Q HN 0.473 nan 8.270 nan 0.000 0.469 344 G N -0.583 108.215 108.800 -0.002 0.000 2.459 344 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.213 344 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.213 344 G C 1.519 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.393 45.491 45.100 -0.003 0.000 0.811 344 G HN 0.279 nan 8.290 nan 0.000 0.534 345 R N 0.535 121.032 120.500 -0.005 0.000 2.115 345 R HA 0.030 4.370 4.340 -0.000 0.000 0.230 345 R C 2.369 178.664 176.300 -0.008 0.000 1.111 345 R CA 1.249 57.345 56.100 -0.007 0.000 0.976 345 R CB -0.716 29.580 30.300 -0.006 0.000 0.870 345 R HN 0.207 nan 8.270 nan 0.000 0.445 346 V N 0.565 120.475 119.914 -0.007 0.000 2.358 346 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 346 V C 2.324 178.412 176.094 -0.009 0.000 1.047 346 V CA 1.774 64.069 62.300 -0.008 0.000 1.035 346 V CB -0.857 30.963 31.823 -0.006 0.000 0.658 346 V HN 0.510 nan 8.190 nan 0.000 0.452 347 A N -0.721 122.094 122.820 -0.007 0.000 1.933 347 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 347 A C 2.190 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.795 53.828 52.037 -0.007 0.000 0.628 347 A CB -0.421 18.575 19.000 -0.006 0.000 0.814 347 A HN 0.623 nan 8.150 nan 0.000 0.444 348 Q N -0.644 119.150 119.800 -0.009 0.000 2.119 348 Q HA -0.039 4.301 4.340 -0.000 0.000 0.201 348 Q C 1.910 177.902 176.000 -0.014 0.000 0.972 348 Q CA 1.432 57.229 55.803 -0.011 0.000 0.847 348 Q CB -0.232 28.500 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.156 120.405 120.570 -0.015 0.000 2.617 349 I HA -0.150 4.020 4.170 -0.000 0.000 0.256 349 I C 2.364 178.470 176.117 -0.018 0.000 1.167 349 I CA 0.491 61.779 61.300 -0.019 0.000 1.469 349 I CB -0.101 37.886 38.000 -0.021 0.000 1.098 349 I HN 0.069 nan 8.210 nan 0.000 0.436 350 R N 0.903 121.395 120.500 -0.015 0.000 2.152 350 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 350 R C 2.198 178.490 176.300 -0.012 0.000 1.117 350 R CA 1.314 57.406 56.100 -0.013 0.000 0.981 350 R CB 0.024 30.318 30.300 -0.010 0.000 0.870 350 R HN 0.403 nan 8.270 nan 0.000 0.451 351 Q N -0.870 118.923 119.800 -0.012 0.000 2.250 351 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 351 Q C 1.739 177.732 176.000 -0.012 0.000 0.941 351 Q CA 0.491 56.288 55.803 -0.011 0.000 0.872 351 Q CB 0.405 29.138 28.738 -0.009 0.000 0.965 351 Q HN 0.372 nan 8.270 nan 0.000 0.480 352 Q N 0.394 120.185 119.800 -0.015 0.000 2.248 352 Q HA -0.165 4.175 4.340 -0.000 0.000 0.208 352 Q C 1.910 177.900 176.000 -0.018 0.000 0.984 352 Q CA 1.109 56.901 55.803 -0.018 0.000 0.875 352 Q CB -0.143 28.581 28.738 -0.024 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.712 121.271 120.570 -0.018 0.000 2.617 353 I HA -0.174 3.996 4.170 -0.000 0.000 0.256 353 I C 1.993 178.103 176.117 -0.011 0.000 1.167 353 I CA 0.618 61.907 61.300 -0.017 0.000 1.469 353 I CB -0.188 37.802 38.000 -0.018 0.000 1.098 353 I HN 0.072 nan 8.210 nan 0.000 0.436 354 E N 1.479 121.673 120.200 -0.010 0.000 2.072 354 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 354 E C 1.170 177.767 176.600 -0.005 0.000 0.982 354 E CA 1.017 57.413 56.400 -0.007 0.000 0.803 354 E CB -0.290 29.406 29.700 -0.006 0.000 0.755 354 E HN 0.581 nan 8.360 nan 0.000 0.453 355 E N 1.141 121.337 120.200 -0.006 0.000 2.301 355 E HA 0.254 4.604 4.350 -0.000 0.000 0.195 355 E C -0.235 176.363 176.600 -0.003 0.000 1.171 355 E CA -0.307 56.090 56.400 -0.004 0.000 1.142 355 E CB 0.237 29.934 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.248 124.066 122.820 -0.003 0.000 2.454 356 A HA 0.147 4.467 4.320 -0.000 0.000 0.260 356 A C 1.257 178.844 177.584 0.005 0.000 1.106 356 A CA -0.184 51.852 52.037 -0.001 0.000 0.780 356 A CB 0.145 19.143 19.000 -0.003 0.000 1.044 356 A HN 0.281 nan 8.150 nan 0.000 0.498 357 T N -0.904 113.656 114.554 0.010 0.000 3.001 357 T HA 0.364 4.714 4.350 -0.000 0.000 0.251 357 T C 0.649 175.362 174.700 0.021 0.000 1.040 357 T CA 0.589 62.697 62.100 0.013 0.000 0.985 357 T CB -0.049 68.826 68.868 0.012 0.000 1.011 357 T HN 0.784 nan 8.240 nan 0.000 0.509 358 S N -0.774 114.944 115.700 0.030 0.000 2.618 358 S HA 0.417 4.886 4.470 -0.000 0.000 0.277 358 S C -0.402 174.230 174.600 0.053 0.000 1.138 358 S CA -0.578 57.649 58.200 0.046 0.000 0.844 358 S CB 1.695 64.935 63.200 0.067 0.000 1.127 358 S HN 0.060 nan 8.310 nan 0.000 0.474 359 D N 0.573 121.014 120.400 0.068 0.000 2.183 359 D HA -0.022 4.618 4.640 -0.000 0.000 0.203 359 D C 1.201 177.560 176.300 0.098 0.000 0.969 359 D CA 1.106 55.147 54.000 0.067 0.000 0.842 359 D CB -0.124 40.715 40.800 0.066 0.000 0.957 359 D HN 0.576 nan 8.370 nan 0.000 0.484 360 Y N 2.171 122.469 120.300 -0.004 0.000 2.092 360 Y HA -0.192 4.358 4.550 -0.000 0.000 0.282 360 Y C 1.678 177.570 175.900 -0.013 0.000 1.126 360 Y CA 1.747 59.843 58.100 -0.006 0.000 1.111 360 Y CB -0.479 37.977 38.460 -0.006 0.000 0.987 360 Y HN -0.167 nan 8.280 nan 0.000 0.489 361 D N -0.427 120.022 120.400 0.082 0.000 2.220 361 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 361 D C 2.228 178.482 176.300 -0.077 0.000 1.001 361 D CA 1.717 55.704 54.000 -0.021 0.000 0.875 361 D CB -0.201 40.616 40.800 0.028 0.000 0.921 361 D HN 0.293 nan 8.370 nan 0.000 0.454 362 R N 0.381 120.852 120.500 -0.049 0.000 2.056 362 R HA -0.119 4.221 4.340 -0.000 0.000 0.227 362 R C 1.967 178.215 176.300 -0.086 0.000 1.149 362 R CA 1.096 57.166 56.100 -0.050 0.000 0.937 362 R CB 0.074 30.362 30.300 -0.019 0.000 0.835 362 R HN 0.060 nan 8.270 nan 0.000 0.430 363 E N 1.166 121.304 120.200 -0.105 0.000 2.045 363 E HA -0.252 4.098 4.350 -0.000 0.000 0.212 363 E C 1.666 178.169 176.600 -0.162 0.000 1.039 363 E CA 1.418 57.743 56.400 -0.125 0.000 0.860 363 E CB -0.333 29.279 29.700 -0.146 0.000 0.776 363 E HN 0.212 nan 8.360 nan 0.000 0.467 364 K N 0.601 120.837 120.400 -0.274 0.000 2.589 364 K HA -0.061 4.259 4.320 -0.000 0.000 0.195 364 K C 2.040 178.549 176.600 -0.150 0.000 1.040 364 K CA 0.477 56.618 56.287 -0.245 0.000 0.950 364 K CB -0.256 32.024 32.500 -0.366 0.000 0.781 364 K HN 0.268 nan 8.250 nan 0.000 0.486 365 L N -0.640 120.513 121.223 -0.118 0.000 2.425 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 365 L C 2.049 178.885 176.870 -0.057 0.000 1.065 365 L CA 0.257 55.050 54.840 -0.078 0.000 0.842 365 L CB -0.070 41.950 42.059 -0.065 0.000 1.033 365 L HN 0.097 nan 8.230 nan 0.000 0.474 366 Q N 0.092 119.858 119.800 -0.056 0.000 2.297 366 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 366 Q C 1.680 177.659 176.000 -0.036 0.000 0.962 366 Q CA 0.968 56.748 55.803 -0.039 0.000 0.879 366 Q CB 0.217 28.934 28.738 -0.035 0.000 0.947 366 Q HN 0.499 nan 8.270 nan 0.000 0.462 367 E N 0.537 120.708 120.200 -0.047 0.000 2.051 367 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 367 E C 2.018 178.602 176.600 -0.027 0.000 0.979 367 E CA 0.302 56.681 56.400 -0.036 0.000 0.803 367 E CB 0.106 29.778 29.700 -0.046 0.000 0.761 367 E HN 0.180 nan 8.360 nan 0.000 0.451 368 R N 0.710 121.187 120.500 -0.038 0.000 2.105 368 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 368 R C 2.568 178.857 176.300 -0.019 0.000 1.135 368 R CA 1.627 57.709 56.100 -0.030 0.000 0.967 368 R CB -0.373 29.900 30.300 -0.044 0.000 0.861 368 R HN 0.205 nan 8.270 nan 0.000 0.442 369 V N -2.453 117.449 119.914 -0.021 0.000 2.283 369 V HA -0.026 4.094 4.120 -0.000 0.000 0.243 369 V C 2.352 178.440 176.094 -0.009 0.000 1.039 369 V CA 1.454 63.746 62.300 -0.015 0.000 1.016 369 V CB -1.240 30.573 31.823 -0.017 0.000 0.650 369 V HN 0.211 nan 8.190 nan 0.000 0.449 370 A N 1.043 123.857 122.820 -0.010 0.000 1.869 370 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 370 A C 2.321 179.905 177.584 -0.001 0.000 1.203 370 A CA 2.917 54.950 52.037 -0.006 0.000 0.638 370 A CB -0.928 18.068 19.000 -0.008 0.000 0.831 370 A HN 0.625 nan 8.150 nan 0.000 0.450 371 K N -1.376 119.027 120.400 0.005 0.000 2.218 371 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 371 K C 1.720 178.330 176.600 0.017 0.000 1.046 371 K CA 1.434 57.731 56.287 0.016 0.000 0.933 371 K CB -0.245 32.276 32.500 0.034 0.000 0.728 371 K HN 0.406 nan 8.250 nan 0.000 0.454 372 L N -0.778 120.451 121.223 0.011 0.000 2.477 372 L HA 0.119 4.459 4.340 -0.000 0.000 0.220 372 L C 1.701 178.573 176.870 0.004 0.000 1.106 372 L CA 0.767 55.613 54.840 0.010 0.000 0.851 372 L CB 0.259 42.321 42.059 0.005 0.000 0.994 372 L HN 0.026 nan 8.230 nan 0.000 0.462 373 A N -1.304 121.516 122.820 0.001 0.000 1.963 373 A HA 0.344 4.664 4.320 -0.000 0.000 0.207 373 A C 1.822 179.404 177.584 -0.002 0.000 1.243 373 A CA 0.517 52.553 52.037 -0.002 0.000 0.728 373 A CB -0.683 18.315 19.000 -0.004 0.000 0.895 373 A HN 0.319 nan 8.150 nan 0.000 0.467 374 G N 0.258 109.056 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 374 G C 1.047 175.944 174.900 -0.005 0.000 1.339 374 G CA 0.619 45.717 45.100 -0.005 0.000 1.258 374 G HN 0.798 nan 8.290 nan 0.000 0.560 375 G N 0.172 108.970 108.800 -0.003 0.000 2.998 375 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.855 375 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.855 375 G C 0.135 175.031 174.900 -0.008 0.000 1.032 375 G CA 1.064 46.163 45.100 -0.003 0.000 0.804 375 G HN 0.958 nan 8.290 nan 0.000 0.970 376 V N -0.598 119.309 119.914 -0.011 0.000 2.971 376 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 376 V C 0.411 176.494 176.094 -0.018 0.000 1.130 376 V CA -0.378 61.912 62.300 -0.018 0.000 0.964 376 V CB 1.654 33.464 31.823 -0.022 0.000 1.029 376 V HN 1.433 nan 8.190 nan 0.000 0.427 377 A N 2.590 125.397 122.820 -0.021 0.000 2.310 377 A HA 0.830 5.150 4.320 -0.000 0.000 0.299 377 A C -0.729 176.842 177.584 -0.020 0.000 1.147 377 A CA -0.474 51.551 52.037 -0.019 0.000 0.818 377 A CB 1.200 20.188 19.000 -0.021 0.000 1.096 377 A HN 0.813 nan 8.150 nan 0.000 0.495 378 V N 4.126 124.030 119.914 -0.016 0.000 2.482 378 V HA 0.315 4.435 4.120 -0.000 0.000 0.295 378 V C -0.632 175.455 176.094 -0.012 0.000 1.026 378 V CA -0.091 62.200 62.300 -0.015 0.000 0.856 378 V CB 1.319 33.134 31.823 -0.014 0.000 1.001 378 V HN 0.747 nan 8.190 nan 0.000 0.424 379 I N 5.425 125.989 120.570 -0.011 0.000 2.328 379 I HA 0.412 4.582 4.170 -0.000 0.000 0.287 379 I C 0.108 176.222 176.117 -0.006 0.000 1.012 379 I CA -0.541 60.754 61.300 -0.008 0.000 1.195 379 I CB 1.218 39.213 38.000 -0.007 0.000 1.350 379 I HN 0.444 nan 8.210 nan 0.000 0.464 380 K N 6.167 126.564 120.400 -0.005 0.000 2.266 380 K HA 0.368 4.688 4.320 -0.000 0.000 0.274 380 K C -0.289 176.310 176.600 -0.001 0.000 1.090 380 K CA -0.574 55.711 56.287 -0.003 0.000 0.925 380 K CB 1.248 33.745 32.500 -0.004 0.000 1.225 380 K HN 0.342 nan 8.250 nan 0.000 0.458 381 V N 2.459 122.373 119.914 0.000 0.000 3.083 381 V HA -0.131 3.989 4.120 -0.000 0.000 0.303 381 V C 1.665 177.760 176.094 0.001 0.000 1.151 381 V CA 0.491 62.792 62.300 0.002 0.000 1.275 381 V CB 0.130 31.955 31.823 0.004 0.000 0.950 381 V HN 0.954 nan 8.190 nan 0.000 0.506 382 G N 1.314 110.115 108.800 0.002 0.000 2.393 382 G HA2 0.507 4.467 3.960 -0.000 0.000 0.268 382 G HA3 0.507 4.467 3.960 -0.000 0.000 0.268 382 G C 0.127 175.028 174.900 0.002 0.000 1.472 382 G CA 0.482 45.583 45.100 0.001 0.000 1.059 382 G HN 1.380 nan 8.290 nan 0.000 0.555 383 A N -3.548 119.273 122.820 0.002 0.000 5.519 383 A HA 0.839 5.159 4.320 -0.000 0.000 0.158 383 A C 0.060 177.645 177.584 0.002 0.000 0.860 383 A CA 0.761 52.799 52.037 0.002 0.000 1.134 383 A CB -0.302 18.699 19.000 0.001 0.000 2.248 383 A HN 2.573 nan 8.150 nan 0.000 1.056 384 A N -0.605 122.216 122.820 0.002 0.000 3.033 384 A HA 0.576 4.896 4.320 -0.000 0.000 0.262 384 A C 1.017 178.602 177.584 0.002 0.000 1.301 384 A CA 1.155 53.193 52.037 0.002 0.000 0.727 384 A CB -2.613 16.388 19.000 0.001 0.000 1.094 384 A HN 3.569 nan 8.150 nan 0.000 0.374 385 T N -2.154 112.401 114.554 0.002 0.000 0.541 385 T HA -0.089 4.261 4.350 -0.000 0.000 0.774 385 T C 0.387 175.089 174.700 0.003 0.000 0.992 385 T CA 1.510 63.612 62.100 0.002 0.000 4.077 385 T CB -1.039 67.831 68.868 0.002 0.000 2.303 385 T HN 1.901 nan 8.240 nan 0.000 0.398 386 E N 0.973 121.175 120.200 0.003 0.000 2.085 386 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 386 E C 2.188 178.790 176.600 0.004 0.000 0.994 386 E CA 2.082 58.484 56.400 0.004 0.000 0.801 386 E CB -0.185 29.518 29.700 0.004 0.000 0.743 386 E HN 0.648 nan 8.360 nan 0.000 0.453 387 V N 1.364 121.281 119.914 0.004 0.000 2.332 387 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 387 V C 2.073 178.170 176.094 0.005 0.000 1.055 387 V CA 2.266 64.569 62.300 0.004 0.000 1.038 387 V CB -0.533 31.293 31.823 0.004 0.000 0.651 387 V HN 0.311 nan 8.190 nan 0.000 0.450 388 E N -0.799 119.403 120.200 0.004 0.000 2.158 388 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 388 E C 2.195 178.798 176.600 0.004 0.000 0.982 388 E CA 0.886 57.289 56.400 0.004 0.000 0.823 388 E CB -0.199 29.503 29.700 0.003 0.000 0.766 388 E HN 0.420 nan 8.360 nan 0.000 0.468 389 M N 1.256 120.859 119.600 0.004 0.000 2.086 389 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 389 M C 1.565 177.868 176.300 0.006 0.000 1.067 389 M CA 1.514 56.817 55.300 0.005 0.000 1.116 389 M CB -0.141 32.461 32.600 0.004 0.000 1.348 389 M HN -0.146 nan 8.290 nan 0.000 0.407 390 K N 0.120 120.523 120.400 0.006 0.000 2.439 390 K HA -0.109 4.211 4.320 -0.000 0.000 0.197 390 K C 1.737 178.342 176.600 0.008 0.000 1.041 390 K CA 0.758 57.050 56.287 0.008 0.000 0.970 390 K CB -0.196 32.309 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.981 121.185 120.200 0.007 0.000 2.102 391 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 391 E C 1.880 178.485 176.600 0.008 0.000 0.971 391 E CA 0.463 56.867 56.400 0.007 0.000 0.821 391 E CB 0.281 29.984 29.700 0.006 0.000 0.777 391 E HN 0.079 nan 8.360 nan 0.000 0.460 392 K N 1.155 121.559 120.400 0.007 0.000 2.062 392 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 392 K C 2.238 178.844 176.600 0.010 0.000 1.051 392 K CA 1.166 57.457 56.287 0.008 0.000 0.941 392 K CB 0.015 32.519 32.500 0.006 0.000 0.719 392 K HN -0.088 nan 8.250 nan 0.000 0.440 393 K N 0.359 120.765 120.400 0.010 0.000 2.059 393 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 393 K C 1.903 178.513 176.600 0.017 0.000 1.050 393 K CA 1.593 57.887 56.287 0.012 0.000 0.927 393 K CB -0.215 32.292 32.500 0.011 0.000 0.714 393 K HN 0.212 nan 8.250 nan 0.000 0.447 394 A N 1.467 124.297 122.820 0.016 0.000 1.845 394 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 394 A C 2.060 179.656 177.584 0.021 0.000 1.195 394 A CA 1.668 53.716 52.037 0.018 0.000 0.616 394 A CB -0.599 18.409 19.000 0.013 0.000 0.832 394 A HN 0.380 nan 8.150 nan 0.000 0.443 395 R N -0.636 119.873 120.500 0.016 0.000 2.211 395 R HA -0.105 4.235 4.340 -0.000 0.000 0.240 395 R C 1.914 178.227 176.300 0.023 0.000 1.144 395 R CA 1.297 57.407 56.100 0.017 0.000 0.992 395 R CB -0.578 29.730 30.300 0.012 0.000 0.869 395 R HN 0.425 nan 8.270 nan 0.000 0.462 396 V N 0.999 120.926 119.914 0.023 0.000 2.283 396 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 396 V C 1.989 178.107 176.094 0.040 0.000 1.039 396 V CA 1.708 64.023 62.300 0.024 0.000 1.016 396 V CB -0.341 31.492 31.823 0.017 0.000 0.650 396 V HN 0.315 nan 8.190 nan 0.000 0.449 397 E N 0.459 120.690 120.200 0.051 0.000 2.049 397 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 397 E C 2.301 178.987 176.600 0.144 0.000 1.007 397 E CA 1.561 58.018 56.400 0.095 0.000 0.809 397 E CB -0.419 29.339 29.700 0.096 0.000 0.749 397 E HN 0.584 nan 8.360 nan 0.000 0.450 398 A N 1.396 124.268 122.820 0.086 0.000 1.908 398 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 398 A C 2.364 180.000 177.584 0.087 0.000 1.181 398 A CA 1.951 54.028 52.037 0.067 0.000 0.627 398 A CB -0.776 18.238 19.000 0.023 0.000 0.818 398 A HN 0.315 nan 8.150 nan 0.000 0.445 399 A N -0.259 122.598 122.820 0.062 0.000 1.832 399 A HA 0.002 4.322 4.320 -0.000 0.000 0.214 399 A C 2.134 179.752 177.584 0.056 0.000 1.200 399 A CA 1.763 53.830 52.037 0.049 0.000 0.610 399 A CB -0.935 18.083 19.000 0.030 0.000 0.842 399 A HN 0.961 nan 8.150 nan 0.000 0.444 400 L N -0.312 120.938 121.223 0.044 0.000 2.010 400 L HA -0.292 4.048 4.340 -0.000 0.000 0.219 400 L C 2.268 179.146 176.870 0.013 0.000 1.077 400 L CA 2.818 57.666 54.840 0.012 0.000 0.773 400 L CB -1.204 40.846 42.059 -0.014 0.000 0.892 400 L HN 0.575 nan 8.230 nan 0.000 0.436 401 H N -0.130 118.939 119.070 -0.001 0.000 2.355 401 H HA -0.208 4.348 4.556 -0.000 0.000 0.293 401 H C 2.083 177.413 175.328 0.002 0.000 1.060 401 H CA 2.253 58.301 56.048 0.000 0.000 1.167 401 H CB -0.644 29.118 29.762 0.001 0.000 1.376 401 H HN 0.529 nan 8.280 nan 0.000 0.549 402 A N 0.026 122.950 122.820 0.173 0.000 1.997 402 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 402 A C 2.683 180.301 177.584 0.057 0.000 1.172 402 A CA 2.404 54.497 52.037 0.092 0.000 0.645 402 A CB -1.054 17.982 19.000 0.061 0.000 0.813 402 A HN 0.532 nan 8.150 nan 0.000 0.454 403 T N -0.916 113.665 114.554 0.044 0.000 2.643 403 T HA -0.147 4.203 4.350 -0.000 0.000 0.264 403 T C 2.168 176.876 174.700 0.013 0.000 1.045 403 T CA 1.343 63.456 62.100 0.022 0.000 1.155 403 T CB -0.272 68.603 68.868 0.012 0.000 0.863 403 T HN 0.367 nan 8.240 nan 0.000 0.420 404 R N 1.280 121.780 120.500 0.000 0.000 2.133 404 R HA -0.110 4.230 4.340 -0.000 0.000 0.245 404 R C 2.416 178.719 176.300 0.006 0.000 1.137 404 R CA 1.974 58.066 56.100 -0.012 0.000 0.947 404 R CB -1.225 29.047 30.300 -0.047 0.000 0.865 404 R HN 0.452 nan 8.270 nan 0.000 0.437 405 A N -0.484 122.352 122.820 0.026 0.000 2.216 405 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 405 A C 2.062 179.661 177.584 0.024 0.000 1.160 405 A CA 1.516 53.572 52.037 0.033 0.000 0.725 405 A CB -0.261 18.772 19.000 0.054 0.000 0.784 405 A HN 0.430 nan 8.150 nan 0.000 0.472 406 A N -0.927 121.904 122.820 0.019 0.000 1.942 406 A HA 0.229 4.549 4.320 -0.000 0.000 0.209 406 A C 2.021 179.611 177.584 0.010 0.000 1.214 406 A CA 1.003 53.049 52.037 0.015 0.000 0.686 406 A CB -0.574 18.436 19.000 0.016 0.000 0.871 406 A HN 0.282 nan 8.150 nan 0.000 0.460 407 V N 0.690 120.609 119.914 0.007 0.000 2.324 407 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 407 V C 2.394 178.490 176.094 0.004 0.000 1.060 407 V CA 2.491 64.793 62.300 0.004 0.000 1.042 407 V CB -0.866 30.957 31.823 -0.001 0.000 0.650 407 V HN 0.614 nan 8.190 nan 0.000 0.450 408 E N -0.033 120.170 120.200 0.005 0.000 2.006 408 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 408 E C 1.483 178.086 176.600 0.005 0.000 0.993 408 E CA 1.349 57.752 56.400 0.005 0.000 0.808 408 E CB -0.044 29.660 29.700 0.007 0.000 0.764 408 E HN 0.652 nan 8.360 nan 0.000 0.449 409 E N -0.093 120.111 120.200 0.007 0.000 2.736 409 E HA 0.252 4.602 4.350 -0.000 0.000 0.208 409 E C 0.086 176.690 176.600 0.007 0.000 0.996 409 E CA -0.038 56.365 56.400 0.005 0.000 1.104 409 E CB 1.128 30.830 29.700 0.003 0.000 1.111 409 E HN 0.333 nan 8.360 nan 0.000 0.455 410 G N 0.989 109.793 108.800 0.008 0.000 2.645 410 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.239 410 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.239 410 G C -0.199 174.708 174.900 0.011 0.000 1.331 410 G CA -0.271 44.835 45.100 0.009 0.000 0.890 410 G HN 0.652 nan 8.290 nan 0.000 0.572 411 V N -3.136 116.786 119.914 0.012 0.000 3.147 411 V HA 0.968 5.088 4.120 -0.000 0.000 0.306 411 V C -0.158 175.945 176.094 0.015 0.000 1.209 411 V CA 0.386 62.695 62.300 0.014 0.000 1.023 411 V CB 1.491 33.323 31.823 0.015 0.000 1.059 411 V HN 2.632 nan 8.190 nan 0.000 0.435 412 V N 2.107 122.031 119.914 0.017 0.000 3.120 412 V HA 0.898 5.018 4.120 -0.000 0.000 0.303 412 V C 0.478 176.585 176.094 0.022 0.000 1.238 412 V CA -0.247 62.064 62.300 0.019 0.000 1.008 412 V CB 1.848 33.681 31.823 0.017 0.000 1.064 412 V HN 2.689 nan 8.190 nan 0.000 0.434 413 A N 3.690 126.525 122.820 0.026 0.000 2.500 413 A HA 0.399 4.719 4.320 -0.000 0.000 0.281 413 A C 1.059 178.658 177.584 0.025 0.000 1.092 413 A CA 1.112 53.167 52.037 0.030 0.000 0.909 413 A CB -1.343 17.680 19.000 0.039 0.000 0.958 413 A HN 2.101 nan 8.150 nan 0.000 0.535 414 G N 1.371 110.184 108.800 0.022 0.000 2.486 414 G HA2 0.522 4.482 3.960 -0.000 0.000 0.272 414 G HA3 0.522 4.482 3.960 -0.000 0.000 0.272 414 G C 1.240 176.152 174.900 0.020 0.000 1.426 414 G CA -0.065 45.046 45.100 0.019 0.000 1.058 414 G HN 2.230 nan 8.290 nan 0.000 0.531 415 G N -2.267 106.544 108.800 0.018 0.000 2.249 415 G HA2 0.231 4.191 3.960 -0.000 0.000 0.273 415 G HA3 0.231 4.191 3.960 -0.000 0.000 0.273 415 G C 1.498 176.409 174.900 0.018 0.000 1.036 415 G CA 1.120 46.233 45.100 0.021 0.000 0.824 415 G HN 2.491 nan 8.290 nan 0.000 0.504 416 G N -2.765 106.043 108.800 0.012 0.000 2.253 416 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.251 416 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.251 416 G C 1.988 176.893 174.900 0.009 0.000 0.998 416 G CA 1.892 46.996 45.100 0.006 0.000 0.621 416 G HN 2.071 nan 8.290 nan 0.000 0.524 417 V N -0.880 119.045 119.914 0.017 0.000 2.270 417 V HA 0.274 4.394 4.120 -0.000 0.000 0.245 417 V C 3.100 179.208 176.094 0.023 0.000 1.043 417 V CA 2.368 64.681 62.300 0.022 0.000 1.014 417 V CB -1.773 30.068 31.823 0.029 0.000 0.645 417 V HN 1.736 nan 8.190 nan 0.000 0.447 418 A N 1.591 124.425 122.820 0.023 0.000 1.899 418 A HA -0.304 4.016 4.320 -0.000 0.000 0.230 418 A C 2.280 179.875 177.584 0.018 0.000 1.593 418 A CA 3.236 55.285 52.037 0.021 0.000 0.728 418 A CB -1.159 17.851 19.000 0.017 0.000 0.848 418 A HN 0.637 nan 8.150 nan 0.000 0.490 419 L N -0.959 120.272 121.223 0.014 0.000 1.994 419 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 419 L C 2.619 179.497 176.870 0.013 0.000 1.071 419 L CA 1.673 56.520 54.840 0.011 0.000 0.745 419 L CB -0.780 41.284 42.059 0.008 0.000 0.892 419 L HN 0.446 nan 8.230 nan 0.000 0.431 420 I N -0.326 120.252 120.570 0.013 0.000 2.315 420 I HA -0.303 3.867 4.170 -0.000 0.000 0.251 420 I C 2.816 178.946 176.117 0.022 0.000 1.125 420 I CA 0.918 62.227 61.300 0.015 0.000 1.392 420 I CB -0.443 37.566 38.000 0.014 0.000 1.065 420 I HN 0.284 nan 8.210 nan 0.000 0.424 421 R N 1.487 122.004 120.500 0.028 0.000 2.082 421 R HA -0.112 4.228 4.340 -0.000 0.000 0.228 421 R C 2.196 178.512 176.300 0.026 0.000 1.140 421 R CA 1.875 57.996 56.100 0.034 0.000 0.920 421 R CB -1.125 29.199 30.300 0.040 0.000 0.828 421 R HN 0.096 nan 8.270 nan 0.000 0.430 422 V N 1.279 121.205 119.914 0.020 0.000 2.218 422 V HA -0.344 3.776 4.120 -0.000 0.000 0.251 422 V C 2.275 178.377 176.094 0.013 0.000 1.057 422 V CA 2.611 64.919 62.300 0.015 0.000 1.022 422 V CB -1.260 30.569 31.823 0.010 0.000 0.645 422 V HN 0.625 nan 8.190 nan 0.000 0.451 423 A N 0.237 123.064 122.820 0.011 0.000 2.245 423 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 423 A C 2.327 179.918 177.584 0.011 0.000 1.171 423 A CA 2.053 54.096 52.037 0.009 0.000 0.688 423 A CB -0.622 18.383 19.000 0.008 0.000 0.781 423 A HN 0.799 nan 8.150 nan 0.000 0.479 424 S N -1.039 114.670 115.700 0.015 0.000 2.478 424 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 424 S C 1.666 176.275 174.600 0.014 0.000 1.008 424 S CA 0.697 58.907 58.200 0.016 0.000 0.928 424 S CB -0.020 63.194 63.200 0.024 0.000 0.781 424 S HN 0.619 nan 8.310 nan 0.000 0.518 425 K N 1.428 121.836 120.400 0.013 0.000 2.044 425 K HA 0.264 4.584 4.320 -0.000 0.000 0.204 425 K C 1.275 177.880 176.600 0.008 0.000 1.045 425 K CA 0.775 57.069 56.287 0.011 0.000 0.951 425 K CB -0.447 32.060 32.500 0.011 0.000 0.738 425 K HN 0.303 nan 8.250 nan 0.000 0.443 426 L N 1.734 122.961 121.223 0.007 0.000 2.885 426 L HA -0.047 4.293 4.340 -0.000 0.000 0.258 426 L C 1.752 178.625 176.870 0.004 0.000 1.146 426 L CA -0.318 54.525 54.840 0.005 0.000 0.922 426 L CB -0.755 41.306 42.059 0.004 0.000 1.138 426 L HN 0.202 nan 8.230 nan 0.000 0.431 427 A N -0.623 122.200 122.820 0.005 0.000 2.172 427 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 427 A C 1.772 179.358 177.584 0.003 0.000 1.154 427 A CA 1.222 53.262 52.037 0.004 0.000 0.701 427 A CB -0.156 18.847 19.000 0.005 0.000 0.789 427 A HN 0.398 nan 8.150 nan 0.000 0.465 428 D N -1.211 119.191 120.400 0.003 0.000 2.392 428 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 428 D C 0.375 176.676 176.300 0.001 0.000 1.046 428 D CA -0.232 53.769 54.000 0.002 0.000 0.865 428 D CB 0.014 40.815 40.800 0.002 0.000 0.969 428 D HN 0.349 nan 8.370 nan 0.000 0.509 429 L N 2.267 123.491 121.223 0.001 0.000 2.578 429 L HA -0.011 4.329 4.340 -0.000 0.000 0.279 429 L C 0.169 177.040 176.870 0.001 0.000 1.227 429 L CA 0.792 55.633 54.840 0.001 0.000 0.900 429 L CB 0.061 42.120 42.059 0.001 0.000 1.144 429 L HN -0.148 nan 8.230 nan 0.000 0.496 430 R N 3.123 123.623 120.500 0.000 0.000 2.817 430 R HA 0.713 5.053 4.340 -0.000 0.000 0.268 430 R C -0.268 176.032 176.300 -0.000 0.000 1.027 430 R CA -0.339 55.761 56.100 -0.000 0.000 0.928 430 R CB 1.480 31.780 30.300 -0.000 0.000 1.228 430 R HN 0.796 nan 8.270 nan 0.000 0.469 431 G N -0.351 108.449 108.800 -0.001 0.000 3.212 431 G HA2 0.231 4.191 3.960 -0.000 0.000 0.188 431 G HA3 0.231 4.191 3.960 -0.000 0.000 0.188 431 G C 0.018 174.917 174.900 -0.001 0.000 1.254 431 G CA -0.196 44.904 45.100 -0.001 0.000 0.957 431 G HN 0.414 nan 8.290 nan 0.000 0.596 432 Q N -0.400 119.399 119.800 -0.001 0.000 2.204 432 Q HA 0.111 4.451 4.340 -0.000 0.000 0.198 432 Q C -0.082 175.917 176.000 -0.002 0.000 0.946 432 Q CA 0.685 56.487 55.803 -0.002 0.000 0.859 432 Q CB 0.140 28.877 28.738 -0.002 0.000 0.946 432 Q HN 0.587 nan 8.270 nan 0.000 0.474 433 N N -1.466 117.232 118.700 -0.002 0.000 2.321 433 N HA 0.403 5.143 4.740 -0.000 0.000 0.290 433 N C -0.045 175.464 175.510 -0.002 0.000 1.212 433 N CA -0.037 53.012 53.050 -0.002 0.000 0.767 433 N CB 0.746 39.232 38.487 -0.002 0.000 1.494 433 N HN -0.072 nan 8.380 nan 0.000 0.479 434 A N 0.448 123.267 122.820 -0.001 0.000 1.903 434 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 434 A C 1.014 178.597 177.584 -0.001 0.000 1.191 434 A CA 2.034 54.071 52.037 -0.001 0.000 0.638 434 A CB -0.988 18.012 19.000 -0.001 0.000 0.823 434 A HN 0.755 nan 8.150 nan 0.000 0.451 435 D N -1.168 119.231 120.400 -0.002 0.000 2.411 435 D HA -0.063 4.577 4.640 -0.000 0.000 0.226 435 D C 1.642 177.941 176.300 -0.001 0.000 0.988 435 D CA 0.989 54.988 54.000 -0.002 0.000 0.938 435 D CB -0.030 40.769 40.800 -0.002 0.000 0.883 435 D HN 0.732 nan 8.370 nan 0.000 0.525 436 Q N -1.040 118.759 119.800 -0.001 0.000 2.404 436 Q HA 0.095 4.435 4.340 -0.000 0.000 0.262 436 Q C 1.380 177.379 176.000 -0.001 0.000 0.846 436 Q CA -0.230 55.572 55.803 -0.001 0.000 0.978 436 Q CB 0.541 29.278 28.738 -0.001 0.000 1.156 436 Q HN 0.026 nan 8.270 nan 0.000 0.548 437 N N 0.175 118.875 118.700 -0.001 0.000 2.188 437 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 437 N C 1.668 177.178 175.510 0.000 0.000 1.018 437 N CA 1.032 54.082 53.050 -0.000 0.000 0.858 437 N CB 0.052 38.539 38.487 -0.000 0.000 0.989 437 N HN 0.044 nan 8.380 nan 0.000 0.426 438 V N 0.699 120.613 119.914 -0.000 0.000 2.453 438 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 438 V C 2.309 178.403 176.094 0.000 0.000 1.048 438 V CA 1.730 64.030 62.300 0.000 0.000 1.049 438 V CB -1.013 30.810 31.823 -0.000 0.000 0.672 438 V HN 0.314 nan 8.190 nan 0.000 0.457 439 G N -0.506 108.294 108.800 0.000 0.000 2.535 439 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 439 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 439 G C 1.392 176.292 174.900 0.001 0.000 1.122 439 G CA 0.787 45.888 45.100 0.001 0.000 0.769 439 G HN 0.513 nan 8.290 nan 0.000 0.549 440 I N -0.564 120.007 120.570 0.001 0.000 2.726 440 I HA 0.052 4.222 4.170 -0.000 0.000 0.243 440 I C 2.393 178.511 176.117 0.001 0.000 1.082 440 I CA 0.164 61.465 61.300 0.001 0.000 1.447 440 I CB -0.118 37.882 38.000 0.001 0.000 1.250 440 I HN -0.161 nan 8.210 nan 0.000 0.453 441 K N 1.041 121.442 120.400 0.001 0.000 2.163 441 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 441 K C 2.075 178.676 176.600 0.002 0.000 1.048 441 K CA 1.221 57.509 56.287 0.002 0.000 0.928 441 K CB -1.005 31.496 32.500 0.001 0.000 0.716 441 K HN 0.193 nan 8.250 nan 0.000 0.459 442 V N 1.276 121.191 119.914 0.002 0.000 2.255 442 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 442 V C 2.423 178.519 176.094 0.002 0.000 1.051 442 V CA 2.100 64.402 62.300 0.002 0.000 1.018 442 V CB -0.757 31.067 31.823 0.002 0.000 0.641 442 V HN 0.379 nan 8.190 nan 0.000 0.445 443 A N -0.892 121.930 122.820 0.003 0.000 2.070 443 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 443 A C 2.138 179.724 177.584 0.003 0.000 1.159 443 A CA 1.621 53.660 52.037 0.003 0.000 0.656 443 A CB -0.383 18.618 19.000 0.003 0.000 0.800 443 A HN 0.545 nan 8.150 nan 0.000 0.453 444 L N -1.659 119.565 121.223 0.003 0.000 2.071 444 L HA -0.006 4.334 4.340 -0.000 0.000 0.201 444 L C 2.636 179.508 176.870 0.003 0.000 1.076 444 L CA 1.208 56.050 54.840 0.003 0.000 0.755 444 L CB -0.563 41.498 42.059 0.003 0.000 0.915 444 L HN 0.368 nan 8.230 nan 0.000 0.445 445 R N 0.905 121.406 120.500 0.002 0.000 2.261 445 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 445 R C 1.689 177.989 176.300 0.000 0.000 1.141 445 R CA 1.278 57.378 56.100 0.001 0.000 1.001 445 R CB -0.086 30.214 30.300 0.001 0.000 0.866 445 R HN 0.374 nan 8.270 nan 0.000 0.468 446 A N -0.383 122.438 122.820 0.001 0.000 2.307 446 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 446 A C 1.447 179.032 177.584 0.002 0.000 1.228 446 A CA -0.009 52.029 52.037 0.002 0.000 0.857 446 A CB 0.068 19.070 19.000 0.004 0.000 0.897 446 A HN 0.317 nan 8.150 nan 0.000 0.495 447 M N -1.442 118.159 119.600 0.002 0.000 2.414 447 M HA 0.130 4.610 4.480 -0.000 0.000 0.251 447 M C 1.029 177.329 176.300 0.000 0.000 1.116 447 M CA 0.394 55.696 55.300 0.003 0.000 1.056 447 M CB 0.219 32.822 32.600 0.004 0.000 1.388 447 M HN 0.326 nan 8.290 nan 0.000 0.487 448 E N 1.054 121.252 120.200 -0.002 0.000 2.502 448 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 448 E C 1.747 178.340 176.600 -0.012 0.000 1.062 448 E CA 0.164 56.560 56.400 -0.007 0.000 0.867 448 E CB 0.186 29.882 29.700 -0.006 0.000 0.888 448 E HN 0.459 nan 8.360 nan 0.000 0.510 449 A N 2.104 124.919 122.820 -0.009 0.000 1.826 449 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 449 A C -0.388 177.187 177.584 -0.015 0.000 1.212 449 A CA 0.717 52.748 52.037 -0.011 0.000 0.605 449 A CB -1.463 17.534 19.000 -0.005 0.000 0.861 449 A HN 0.075 nan 8.150 nan 0.000 0.447 450 P HA -0.218 nan 4.420 nan 0.000 0.219 450 P C 1.678 178.966 177.300 -0.020 0.000 1.158 450 P CA 1.470 64.565 63.100 -0.010 0.000 0.895 450 P CB -0.074 31.625 31.700 -0.002 0.000 0.792 451 L N -0.718 120.490 121.223 -0.025 0.000 1.961 451 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 451 L C 2.409 179.239 176.870 -0.067 0.000 1.075 451 L CA 1.774 56.587 54.840 -0.045 0.000 0.749 451 L CB -0.895 41.137 42.059 -0.045 0.000 0.890 451 L HN -0.283 nan 8.230 nan 0.000 0.433 452 R N -1.005 119.459 120.500 -0.060 0.000 2.257 452 R HA -0.307 4.033 4.340 -0.000 0.000 0.265 452 R C 2.233 178.496 176.300 -0.061 0.000 1.191 452 R CA 1.892 57.953 56.100 -0.065 0.000 1.010 452 R CB -0.330 29.945 30.300 -0.041 0.000 0.883 452 R HN 0.489 nan 8.270 nan 0.000 0.473 453 Q N 0.530 120.302 119.800 -0.047 0.000 2.013 453 Q HA 0.001 4.341 4.340 -0.000 0.000 0.195 453 Q C 1.887 177.860 176.000 -0.045 0.000 0.974 453 Q CA 1.394 57.174 55.803 -0.038 0.000 0.826 453 Q CB -0.058 28.665 28.738 -0.024 0.000 0.895 453 Q HN 0.331 nan 8.270 nan 0.000 0.448 454 I N 0.004 120.548 120.570 -0.043 0.000 2.315 454 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 454 I C 1.908 177.987 176.117 -0.064 0.000 1.125 454 I CA 0.871 62.148 61.300 -0.038 0.000 1.392 454 I CB -0.565 37.422 38.000 -0.022 0.000 1.065 454 I HN 0.016 nan 8.210 nan 0.000 0.424 455 V N 0.860 120.701 119.914 -0.122 0.000 2.913 455 V HA -0.190 3.930 4.120 -0.000 0.000 0.260 455 V C 2.173 178.199 176.094 -0.113 0.000 1.098 455 V CA 1.247 63.431 62.300 -0.193 0.000 1.121 455 V CB -0.295 31.358 31.823 -0.283 0.000 0.714 455 V HN 0.365 nan 8.190 nan 0.000 0.487 456 L N 0.133 121.312 121.223 -0.073 0.000 2.298 456 L HA 0.199 4.539 4.340 -0.000 0.000 0.209 456 L C 1.797 178.649 176.870 -0.030 0.000 1.084 456 L CA 1.293 56.105 54.840 -0.047 0.000 0.816 456 L CB -0.443 41.593 42.059 -0.038 0.000 0.967 456 L HN 0.254 nan 8.230 nan 0.000 0.460 457 N N -1.232 117.453 118.700 -0.026 0.000 2.567 457 N HA -0.050 4.690 4.740 -0.000 0.000 0.195 457 N C 0.593 176.098 175.510 -0.007 0.000 1.242 457 N CA 0.676 53.718 53.050 -0.014 0.000 0.884 457 N CB -0.351 38.129 38.487 -0.010 0.000 1.007 457 N HN 0.372 nan 8.380 nan 0.000 0.450 458 C N -1.549 117.745 119.300 -0.011 0.000 3.386 458 C HA 0.397 4.857 4.460 -0.000 0.000 0.279 458 C C 1.631 176.621 174.990 -0.000 0.000 1.508 458 C CA -0.394 58.626 59.018 0.003 0.000 1.801 458 C CB -0.435 27.318 27.740 0.022 0.000 2.798 458 C HN 0.471 nan 8.230 nan 0.000 0.605 459 G N 1.798 110.592 108.800 -0.009 0.000 2.200 459 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.267 459 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.267 459 G C -0.232 174.663 174.900 -0.009 0.000 0.993 459 G CA 0.581 45.677 45.100 -0.008 0.000 0.701 459 G HN 0.583 nan 8.290 nan 0.000 0.524 460 E N 1.005 121.193 120.200 -0.019 0.000 2.146 460 E HA 0.273 4.623 4.350 -0.000 0.000 0.282 460 E C 0.447 177.017 176.600 -0.050 0.000 0.989 460 E CA -0.517 55.869 56.400 -0.024 0.000 0.799 460 E CB 0.742 30.428 29.700 -0.024 0.000 1.088 460 E HN 0.582 nan 8.360 nan 0.000 0.397 461 E N 4.307 124.490 120.200 -0.029 0.000 2.924 461 E HA -0.103 4.247 4.350 -0.000 0.000 0.236 461 E C -1.556 175.010 176.600 -0.057 0.000 1.028 461 E CA -0.794 55.588 56.400 -0.031 0.000 0.952 461 E CB 0.209 29.903 29.700 -0.010 0.000 0.918 461 E HN 0.215 nan 8.360 nan 0.000 0.536 462 P HA -0.151 nan 4.420 nan 0.000 0.217 462 P C 1.041 178.306 177.300 -0.059 0.000 1.151 462 P CA 0.853 63.899 63.100 -0.090 0.000 0.828 462 P CB 0.295 31.951 31.700 -0.073 0.000 0.788 463 S N -0.315 115.364 115.700 -0.035 0.000 2.390 463 S HA -0.187 4.283 4.470 -0.000 0.000 0.234 463 S C 1.925 176.518 174.600 -0.012 0.000 1.063 463 S CA 1.922 60.111 58.200 -0.019 0.000 1.108 463 S CB -1.620 61.573 63.200 -0.010 0.000 0.975 463 S HN -0.004 nan 8.310 nan 0.000 0.442 464 V N 1.204 121.114 119.914 -0.007 0.000 2.278 464 V HA -0.071 4.049 4.120 -0.000 0.000 0.238 464 V C 2.350 178.460 176.094 0.026 0.000 1.039 464 V CA 1.216 63.526 62.300 0.017 0.000 1.017 464 V CB -0.993 30.853 31.823 0.039 0.000 0.657 464 V HN 0.363 nan 8.190 nan 0.000 0.462 465 V N 0.748 120.661 119.914 -0.001 0.000 2.353 465 V HA -0.394 3.726 4.120 -0.000 0.000 0.260 465 V C 2.596 178.691 176.094 0.002 0.000 1.091 465 V CA 2.456 64.744 62.300 -0.020 0.000 1.088 465 V CB -1.340 30.254 31.823 -0.382 0.000 0.672 465 V HN 0.591 nan 8.190 nan 0.000 0.455 466 A N 0.268 123.067 122.820 -0.034 0.000 1.832 466 A HA -0.234 4.086 4.320 -0.000 0.000 0.214 466 A C 2.054 179.646 177.584 0.015 0.000 1.204 466 A CA 1.843 53.870 52.037 -0.016 0.000 0.606 466 A CB -0.911 18.073 19.000 -0.027 0.000 0.849 466 A HN 0.604 nan 8.150 nan 0.000 0.445 467 N N -0.544 118.164 118.700 0.013 0.000 2.111 467 N HA -0.196 4.544 4.740 -0.000 0.000 0.197 467 N C 1.593 177.121 175.510 0.029 0.000 1.011 467 N CA 2.760 55.821 53.050 0.019 0.000 0.880 467 N CB -0.522 37.974 38.487 0.016 0.000 1.031 467 N HN 0.391 nan 8.380 nan 0.000 0.444 468 T N -0.863 113.714 114.554 0.037 0.000 2.857 468 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 468 T C 1.828 176.550 174.700 0.036 0.000 1.048 468 T CA 1.072 63.181 62.100 0.016 0.000 1.139 468 T CB -0.219 68.628 68.868 -0.035 0.000 0.874 468 T HN 0.072 nan 8.240 nan 0.000 0.455 469 V N 1.392 121.336 119.914 0.049 0.000 2.515 469 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 469 V C 2.382 178.529 176.094 0.088 0.000 1.058 469 V CA 1.436 63.753 62.300 0.029 0.000 1.064 469 V CB -0.432 31.409 31.823 0.029 0.000 0.675 469 V HN 0.451 nan 8.190 nan 0.000 0.461 470 K N 0.427 120.866 120.400 0.065 0.000 2.062 470 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 470 K C 1.992 178.634 176.600 0.069 0.000 1.051 470 K CA 1.206 57.529 56.287 0.060 0.000 0.941 470 K CB -0.552 31.969 32.500 0.035 0.000 0.719 470 K HN 0.529 nan 8.250 nan 0.000 0.440 471 G N 0.702 109.541 108.800 0.065 0.000 2.959 471 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.203 471 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.203 471 G C 0.430 175.361 174.900 0.053 0.000 1.176 471 G CA 0.626 45.755 45.100 0.048 0.000 0.860 471 G HN 0.370 nan 8.290 nan 0.000 0.507 472 G N -0.458 108.403 108.800 0.101 0.000 3.291 472 G HA2 0.618 4.578 3.960 -0.000 0.000 0.173 472 G HA3 0.618 4.578 3.960 -0.000 0.000 0.173 472 G C -1.286 173.655 174.900 0.067 0.000 1.099 472 G CA 0.146 45.285 45.100 0.064 0.000 0.794 472 G HN 0.404 nan 8.290 nan 0.000 0.651 473 D N -3.060 117.393 120.400 0.089 0.000 2.913 473 D HA 0.523 5.163 4.640 -0.000 0.000 0.293 473 D C 0.390 176.744 176.300 0.090 0.000 1.238 473 D CA 0.684 54.728 54.000 0.073 0.000 0.738 473 D CB 0.345 41.161 40.800 0.026 0.000 1.254 473 D HN 1.968 nan 8.370 nan 0.000 0.429 474 G N 0.132 108.975 108.800 0.072 0.000 2.542 474 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.235 474 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.235 474 G C -0.202 174.759 174.900 0.102 0.000 1.286 474 G CA 0.034 45.178 45.100 0.072 0.000 0.904 474 G HN 0.792 nan 8.290 nan 0.000 0.577 475 N N -0.013 118.751 118.700 0.106 0.000 2.322 475 N HA 0.187 4.927 4.740 -0.000 0.000 0.216 475 N C 0.055 175.660 175.510 0.159 0.000 1.144 475 N CA -0.172 52.941 53.050 0.106 0.000 0.830 475 N CB 0.174 38.706 38.487 0.075 0.000 1.034 475 N HN 0.486 nan 8.380 nan 0.000 0.484 476 Y N 1.403 121.731 120.300 0.046 0.000 2.537 476 Y HA 0.310 4.860 4.550 -0.000 0.000 0.339 476 Y C 0.565 176.527 175.900 0.104 0.000 1.066 476 Y CA -0.200 57.940 58.100 0.066 0.000 1.357 476 Y CB 0.059 38.544 38.460 0.042 0.000 1.175 476 Y HN -0.027 nan 8.280 nan 0.000 0.525 477 G N 4.569 113.274 108.800 -0.159 0.000 3.183 477 G HA2 0.308 4.268 3.960 -0.000 0.000 0.247 477 G HA3 0.308 4.268 3.960 -0.000 0.000 0.247 477 G C -2.233 172.637 174.900 -0.049 0.000 1.211 477 G CA -0.887 44.135 45.100 -0.130 0.000 0.835 477 G HN 0.596 nan 8.290 nan 0.000 0.604 478 Y N 0.955 121.180 120.300 -0.126 0.000 2.338 478 Y HA 0.552 5.102 4.550 -0.000 0.000 0.333 478 Y C -0.532 175.247 175.900 -0.202 0.000 0.968 478 Y CA -1.191 56.750 58.100 -0.265 0.000 1.123 478 Y CB 1.756 40.016 38.460 -0.334 0.000 1.165 478 Y HN 0.443 nan 8.280 nan 0.000 0.452 479 N N 4.507 122.935 118.700 -0.453 0.000 2.411 479 N HA 0.191 4.931 4.740 -0.000 0.000 0.259 479 N C 0.553 175.876 175.510 -0.312 0.000 1.103 479 N CA 0.766 53.653 53.050 -0.270 0.000 0.954 479 N CB 1.780 40.117 38.487 -0.250 0.000 1.085 479 N HN 0.979 nan 8.380 nan 0.000 0.485 480 A N 4.586 127.423 122.820 0.028 0.000 1.865 480 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 480 A C 2.072 179.667 177.584 0.018 0.000 1.191 480 A CA 2.036 54.165 52.037 0.153 0.000 0.623 480 A CB -1.030 18.034 19.000 0.106 0.000 0.826 480 A HN 0.760 nan 8.150 nan 0.000 0.444 481 A N -0.455 122.345 122.820 -0.033 0.000 1.851 481 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 481 A C 2.480 180.014 177.584 -0.085 0.000 1.195 481 A CA 2.878 54.888 52.037 -0.045 0.000 0.622 481 A CB -1.506 17.471 19.000 -0.038 0.000 0.831 481 A HN 0.893 nan 8.150 nan 0.000 0.444 482 T N -3.433 111.039 114.554 -0.138 0.000 3.055 482 T HA 0.027 4.377 4.350 -0.000 0.000 0.265 482 T C 0.533 175.099 174.700 -0.224 0.000 1.111 482 T CA 1.104 63.110 62.100 -0.155 0.000 1.118 482 T CB -0.402 68.375 68.868 -0.151 0.000 0.909 482 T HN 0.596 nan 8.240 nan 0.000 0.501 483 E N 0.522 120.504 120.200 -0.362 0.000 2.791 483 E HA -0.130 4.220 4.350 -0.000 0.000 0.271 483 E C -0.775 175.471 176.600 -0.591 0.000 1.044 483 E CA 0.786 56.907 56.400 -0.465 0.000 0.814 483 E CB -1.133 28.478 29.700 -0.149 0.000 1.400 483 E HN 0.693 nan 8.360 nan 0.000 0.423 484 E N -0.489 119.318 120.200 -0.656 0.000 2.317 484 E HA 0.402 4.752 4.350 -0.000 0.000 0.270 484 E C -0.249 176.042 176.600 -0.514 0.000 0.885 484 E CA -0.628 55.504 56.400 -0.447 0.000 0.760 484 E CB 1.002 30.596 29.700 -0.177 0.000 1.227 484 E HN -0.015 nan 8.360 nan 0.000 0.434 485 Y N 0.426 120.608 120.300 -0.197 0.000 2.314 485 Y HA 0.594 5.144 4.550 -0.000 0.000 0.359 485 Y C 1.489 177.374 175.900 -0.025 0.000 1.360 485 Y CA 0.730 58.741 58.100 -0.149 0.000 1.697 485 Y CB 0.594 38.996 38.460 -0.097 0.000 1.630 485 Y HN 0.724 nan 8.280 nan 0.000 0.583 486 G N -0.277 108.679 108.800 0.260 0.000 2.302 486 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.276 486 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.276 486 G C -1.651 173.392 174.900 0.238 0.000 1.316 486 G CA -1.048 44.219 45.100 0.278 0.000 0.988 486 G HN 0.630 nan 8.290 nan 0.000 0.479 487 N N 1.264 120.065 118.700 0.168 0.000 2.399 487 N HA 0.141 4.881 4.740 -0.000 0.000 0.259 487 N C 1.884 177.439 175.510 0.076 0.000 1.160 487 N CA -0.435 52.692 53.050 0.128 0.000 0.946 487 N CB 0.592 39.134 38.487 0.092 0.000 1.156 487 N HN 0.430 nan 8.380 nan 0.000 0.489 488 M N 3.381 123.022 119.600 0.067 0.000 2.267 488 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 488 M C 1.484 177.803 176.300 0.031 0.000 1.063 488 M CA 0.953 56.275 55.300 0.038 0.000 1.090 488 M CB -0.458 32.163 32.600 0.036 0.000 1.392 488 M HN 0.545 nan 8.290 nan 0.000 0.422 489 I N 0.145 120.737 120.570 0.038 0.000 2.333 489 I HA -0.213 3.957 4.170 -0.000 0.000 0.246 489 I C 1.889 178.020 176.117 0.024 0.000 1.106 489 I CA 1.231 62.548 61.300 0.029 0.000 1.411 489 I CB -1.305 36.713 38.000 0.030 0.000 1.082 489 I HN 0.217 nan 8.210 nan 0.000 0.420 490 D N 0.785 121.202 120.400 0.028 0.000 2.117 490 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 490 D C 2.205 178.514 176.300 0.016 0.000 0.987 490 D CA 1.085 55.099 54.000 0.022 0.000 0.829 490 D CB -0.138 40.678 40.800 0.027 0.000 0.961 490 D HN 0.285 nan 8.370 nan 0.000 0.460 491 M N -0.364 119.245 119.600 0.016 0.000 2.700 491 M HA 0.039 4.519 4.480 -0.000 0.000 0.249 491 M C 1.087 177.388 176.300 0.001 0.000 1.082 491 M CA 0.805 56.107 55.300 0.004 0.000 1.077 491 M CB -0.014 32.583 32.600 -0.004 0.000 1.477 491 M HN 0.094 nan 8.290 nan 0.000 0.529 492 G N 1.909 110.712 108.800 0.006 0.000 2.160 492 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 492 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 492 G C 0.037 174.940 174.900 0.006 0.000 1.008 492 G CA -0.187 44.916 45.100 0.006 0.000 0.724 492 G HN 0.530 nan 8.290 nan 0.000 0.514 493 I N 0.927 121.501 120.570 0.007 0.000 2.347 493 I HA 0.569 4.739 4.170 -0.000 0.000 0.283 493 I C 0.164 176.289 176.117 0.014 0.000 1.058 493 I CA -0.817 60.488 61.300 0.008 0.000 1.202 493 I CB 0.569 38.573 38.000 0.006 0.000 1.386 493 I HN 0.262 nan 8.210 nan 0.000 0.475 494 L N 3.806 125.037 121.223 0.014 0.000 2.710 494 L HA 0.710 5.050 4.340 -0.000 0.000 0.260 494 L C -1.708 175.172 176.870 0.016 0.000 0.993 494 L CA -0.806 54.044 54.840 0.016 0.000 0.877 494 L CB 1.784 43.853 42.059 0.017 0.000 1.461 494 L HN 0.110 nan 8.230 nan 0.000 0.413 495 D N -0.269 120.141 120.400 0.017 0.000 2.575 495 D HA 0.520 5.160 4.640 -0.000 0.000 0.236 495 D C -2.826 173.485 176.300 0.018 0.000 1.075 495 D CA -1.279 52.732 54.000 0.017 0.000 0.860 495 D CB 2.187 42.997 40.800 0.017 0.000 1.475 495 D HN 0.352 nan 8.370 nan 0.000 0.474 496 P HA -0.001 nan 4.420 nan 0.000 0.267 496 P C 0.870 178.180 177.300 0.017 0.000 1.201 496 P CA 0.166 63.278 63.100 0.020 0.000 0.775 496 P CB 0.621 32.336 31.700 0.026 0.000 0.854 497 T N 1.137 115.699 114.554 0.013 0.000 2.812 497 T HA -0.144 4.206 4.350 -0.000 0.000 0.264 497 T C 1.642 176.346 174.700 0.006 0.000 1.042 497 T CA 1.080 63.186 62.100 0.009 0.000 1.140 497 T CB -0.382 68.490 68.868 0.007 0.000 0.870 497 T HN 0.481 nan 8.240 nan 0.000 0.445 498 K N 0.897 121.302 120.400 0.008 0.000 2.049 498 K HA -0.235 4.085 4.320 -0.000 0.000 0.219 498 K C 2.381 178.986 176.600 0.007 0.000 1.056 498 K CA 2.263 58.554 56.287 0.006 0.000 0.946 498 K CB -0.645 31.865 32.500 0.017 0.000 0.723 498 K HN 0.315 nan 8.250 nan 0.000 0.453 499 V N -0.300 119.625 119.914 0.019 0.000 2.261 499 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 499 V C 1.778 177.883 176.094 0.017 0.000 1.047 499 V CA 2.558 64.873 62.300 0.025 0.000 1.015 499 V CB -1.080 30.761 31.823 0.029 0.000 0.642 499 V HN 0.430 nan 8.190 nan 0.000 0.446 500 T N 0.132 114.693 114.554 0.013 0.000 2.946 500 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 500 T C 1.788 176.488 174.700 -0.001 0.000 1.104 500 T CA 1.985 64.091 62.100 0.009 0.000 1.114 500 T CB -0.392 68.482 68.868 0.009 0.000 0.867 500 T HN 0.698 nan 8.240 nan 0.000 0.513 501 R N 0.851 121.345 120.500 -0.011 0.000 2.046 501 R HA 0.011 4.351 4.340 -0.000 0.000 0.223 501 R C 2.629 178.894 176.300 -0.058 0.000 1.179 501 R CA 1.265 57.345 56.100 -0.033 0.000 0.952 501 R CB -0.502 29.774 30.300 -0.040 0.000 0.843 501 R HN 0.146 nan 8.270 nan 0.000 0.439 502 S N 0.967 116.625 115.700 -0.069 0.000 2.390 502 S HA -0.304 4.166 4.470 -0.000 0.000 0.234 502 S C 2.053 176.638 174.600 -0.025 0.000 1.063 502 S CA 1.782 59.910 58.200 -0.119 0.000 1.108 502 S CB -0.618 62.581 63.200 -0.002 0.000 0.975 502 S HN 0.613 nan 8.310 nan 0.000 0.442 503 A N 0.780 123.628 122.820 0.048 0.000 1.948 503 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 503 A C 2.140 179.754 177.584 0.050 0.000 1.177 503 A CA 1.764 53.848 52.037 0.078 0.000 0.636 503 A CB -0.650 18.381 19.000 0.053 0.000 0.815 503 A HN 0.439 nan 8.150 nan 0.000 0.449 504 L N -0.456 120.773 121.223 0.009 0.000 2.156 504 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 504 L C 2.401 179.264 176.870 -0.010 0.000 1.095 504 L CA 2.010 56.851 54.840 0.001 0.000 0.770 504 L CB -0.551 41.502 42.059 -0.009 0.000 0.914 504 L HN 0.510 nan 8.230 nan 0.000 0.439 505 Q N -1.708 118.056 119.800 -0.061 0.000 2.008 505 Q HA -0.168 4.172 4.340 -0.000 0.000 0.196 505 Q C 2.194 178.180 176.000 -0.023 0.000 0.973 505 Q CA 1.655 57.401 55.803 -0.096 0.000 0.826 505 Q CB -0.481 28.121 28.738 -0.225 0.000 0.894 505 Q HN 0.416 nan 8.270 nan 0.000 0.439 506 Y N 1.048 121.350 120.300 0.003 0.000 2.193 506 Y HA -0.255 4.295 4.550 -0.000 0.000 0.285 506 Y C 2.463 178.364 175.900 0.001 0.000 1.166 506 Y CA 0.953 59.055 58.100 0.002 0.000 1.181 506 Y CB -0.978 37.483 38.460 0.002 0.000 0.976 506 Y HN 0.184 nan 8.280 nan 0.000 0.520 507 A N -0.038 122.879 122.820 0.161 0.000 1.883 507 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 507 A C 2.543 180.167 177.584 0.066 0.000 1.186 507 A CA 2.164 54.254 52.037 0.089 0.000 0.624 507 A CB -1.295 17.741 19.000 0.060 0.000 0.822 507 A HN 0.407 nan 8.150 nan 0.000 0.444 508 A N -0.672 122.180 122.820 0.054 0.000 1.865 508 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 508 A C 2.462 180.073 177.584 0.045 0.000 1.191 508 A CA 2.408 54.467 52.037 0.036 0.000 0.623 508 A CB -1.285 17.725 19.000 0.018 0.000 0.826 508 A HN 0.693 nan 8.150 nan 0.000 0.444 509 S N -0.643 115.097 115.700 0.068 0.000 2.427 509 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 509 S C 1.907 176.540 174.600 0.056 0.000 1.045 509 S CA 2.402 60.646 58.200 0.074 0.000 1.154 509 S CB -0.933 62.349 63.200 0.137 0.000 1.093 509 S HN 0.399 nan 8.310 nan 0.000 0.422 510 V N 2.782 122.732 119.914 0.061 0.000 2.215 510 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 510 V C 2.931 179.040 176.094 0.025 0.000 1.054 510 V CA 2.400 64.721 62.300 0.036 0.000 1.012 510 V CB -1.685 30.156 31.823 0.030 0.000 0.639 510 V HN 0.742 nan 8.190 nan 0.000 0.448 511 A N 0.183 123.018 122.820 0.026 0.000 1.954 511 A HA -0.280 4.040 4.320 -0.000 0.000 0.222 511 A C 2.344 179.936 177.584 0.014 0.000 1.199 511 A CA 2.667 54.714 52.037 0.017 0.000 0.657 511 A CB -1.514 17.497 19.000 0.018 0.000 0.823 511 A HN 0.654 nan 8.150 nan 0.000 0.463 512 G N -0.149 108.661 108.800 0.017 0.000 2.604 512 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 512 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 512 G C 1.510 176.416 174.900 0.010 0.000 1.265 512 G CA 1.181 46.289 45.100 0.013 0.000 0.804 512 G HN 0.500 nan 8.290 nan 0.000 0.579 513 L N -0.207 121.023 121.223 0.013 0.000 2.054 513 L HA -0.273 4.067 4.340 -0.000 0.000 0.220 513 L C 3.143 180.015 176.870 0.004 0.000 1.081 513 L CA 1.905 56.751 54.840 0.009 0.000 0.780 513 L CB -0.592 41.474 42.059 0.012 0.000 0.893 513 L HN 0.273 nan 8.230 nan 0.000 0.438 514 M N -0.582 119.020 119.600 0.004 0.000 2.159 514 M HA -0.175 4.304 4.480 -0.000 0.000 0.263 514 M C 2.213 178.511 176.300 -0.003 0.000 1.063 514 M CA 1.715 57.014 55.300 -0.002 0.000 1.110 514 M CB -0.307 32.293 32.600 -0.001 0.000 1.374 514 M HN 0.228 nan 8.290 nan 0.000 0.411 515 I N -0.402 120.168 120.570 0.000 0.000 2.830 515 I HA -0.140 4.030 4.170 -0.000 0.000 0.263 515 I C 1.332 177.448 176.117 -0.002 0.000 1.230 515 I CA 0.971 62.271 61.300 -0.001 0.000 1.480 515 I CB -0.561 37.439 38.000 0.001 0.000 1.095 515 I HN 0.322 nan 8.210 nan 0.000 0.455 516 T N -2.541 112.012 114.554 -0.002 0.000 3.268 516 T HA 0.278 4.628 4.350 -0.000 0.000 0.258 516 T C 0.200 174.897 174.700 -0.005 0.000 0.966 516 T CA -0.405 61.693 62.100 -0.004 0.000 0.952 516 T CB -0.213 68.654 68.868 -0.002 0.000 1.132 516 T HN -0.103 nan 8.240 nan 0.000 0.536 517 T N 1.491 116.041 114.554 -0.006 0.000 2.824 517 T HA 0.447 4.797 4.350 -0.000 0.000 0.282 517 T C 0.281 174.980 174.700 -0.001 0.000 0.993 517 T CA -0.638 61.459 62.100 -0.005 0.000 0.967 517 T CB 2.096 70.957 68.868 -0.011 0.000 0.960 517 T HN 0.091 nan 8.240 nan 0.000 0.441 518 E N 0.407 120.612 120.200 0.009 0.000 2.514 518 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 518 E C 0.016 176.689 176.600 0.122 0.000 0.946 518 E CA 0.121 56.537 56.400 0.028 0.000 1.038 518 E CB 0.889 30.577 29.700 -0.020 0.000 1.069 518 E HN 0.552 nan 8.360 nan 0.000 0.503 519 C N 1.014 120.386 119.300 0.120 0.000 2.686 519 C HA 0.672 5.132 4.460 -0.000 0.000 0.318 519 C C -1.247 173.771 174.990 0.047 0.000 1.160 519 C CA -0.601 58.558 59.018 0.236 0.000 1.396 519 C CB 0.292 28.245 27.740 0.354 0.000 1.924 519 C HN 0.102 nan 8.230 nan 0.000 0.471 520 M N 5.458 125.008 119.600 -0.084 0.000 2.326 520 M HA 0.552 5.032 4.480 -0.000 0.000 0.306 520 M C -1.143 175.096 176.300 -0.102 0.000 1.054 520 M CA -0.620 54.572 55.300 -0.181 0.000 0.922 520 M CB 2.095 34.398 32.600 -0.494 0.000 1.632 520 M HN 0.366 nan 8.290 nan 0.000 0.436 521 V N 1.858 121.791 119.914 0.033 0.000 2.380 521 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 521 V C -0.332 175.852 176.094 0.149 0.000 1.015 521 V CA -0.304 62.055 62.300 0.098 0.000 0.834 521 V CB 1.759 33.624 31.823 0.069 0.000 1.009 521 V HN 0.971 nan 8.190 nan 0.000 0.428 522 T N 2.439 117.126 114.554 0.222 0.000 2.907 522 T HA 0.485 4.834 4.350 -0.000 0.000 0.290 522 T C -0.509 174.213 174.700 0.036 0.000 1.066 522 T CA -0.475 61.705 62.100 0.134 0.000 1.012 522 T CB 1.782 70.744 68.868 0.157 0.000 1.184 522 T HN 0.630 nan 8.240 nan 0.000 0.522 523 D N 0.925 121.323 120.400 -0.005 0.000 2.354 523 D HA 0.304 4.944 4.640 -0.000 0.000 0.238 523 D C -0.282 175.974 176.300 -0.072 0.000 1.250 523 D CA -0.060 53.923 54.000 -0.029 0.000 0.911 523 D CB 0.265 41.048 40.800 -0.028 0.000 1.163 523 D HN 0.180 nan 8.370 nan 0.000 0.456 524 L N 2.278 123.464 121.223 -0.063 0.000 2.350 524 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 524 L C -1.769 175.047 176.870 -0.090 0.000 1.099 524 L CA -1.936 52.855 54.840 -0.082 0.000 0.808 524 L CB 0.816 42.842 42.059 -0.054 0.000 1.149 524 L HN 0.311 nan 8.230 nan 0.000 0.442 525 P HA -0.071 nan 4.420 nan 0.000 0.314 525 P C -0.818 176.441 177.300 -0.069 0.000 1.521 525 P CA 0.781 63.820 63.100 -0.102 0.000 0.754 525 P CB -0.228 31.401 31.700 -0.117 0.000 1.692 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543