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_1 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 0.000 177.585 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.001 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 3 A N 1.289 124.108 122.820 -0.002 0.000 2.547 3 A HA 0.387 4.707 4.320 -0.000 0.000 0.269 3 A C 0.452 178.033 177.584 -0.004 0.000 1.041 3 A CA 0.682 52.718 52.037 -0.002 0.000 0.855 3 A CB -0.732 18.264 19.000 -0.007 0.000 0.934 3 A HN 0.550 nan 8.150 nan 0.000 0.521 4 K N 1.821 122.224 120.400 0.004 0.000 2.098 4 K HA 0.402 4.722 4.320 -0.000 0.000 0.244 4 K C -0.534 176.068 176.600 0.004 0.000 1.014 4 K CA -0.609 55.683 56.287 0.008 0.000 0.917 4 K CB 0.821 33.337 32.500 0.026 0.000 1.072 4 K HN 0.726 nan 8.250 nan 0.000 0.477 5 D N 0.203 120.612 120.400 0.014 0.000 2.362 5 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 5 D C -1.508 174.851 176.300 0.097 0.000 1.050 5 D CA -0.684 53.328 54.000 0.021 0.000 0.839 5 D CB 1.468 42.242 40.800 -0.043 0.000 1.283 5 D HN 0.048 nan 8.370 nan 0.000 0.477 6 V N 3.842 123.765 119.914 0.015 0.000 2.623 6 V HA 0.451 4.571 4.120 -0.000 0.000 0.304 6 V C -0.276 175.573 176.094 -0.408 0.000 1.054 6 V CA -0.752 61.466 62.300 -0.138 0.000 0.882 6 V CB 2.040 33.744 31.823 -0.199 0.000 1.002 6 V HN 0.455 nan 8.190 nan 0.000 0.424 7 K N 3.481 123.571 120.400 -0.517 0.000 2.375 7 K HA 0.815 5.135 4.320 -0.000 0.000 0.249 7 K C -1.723 174.497 176.600 -0.634 0.000 0.942 7 K CA -0.503 55.427 56.287 -0.595 0.000 0.806 7 K CB 2.356 34.643 32.500 -0.355 0.000 1.227 7 K HN 0.443 nan 8.250 nan 0.000 0.430 8 F N -0.173 119.731 119.950 -0.077 0.000 2.620 8 F HA 0.593 5.120 4.527 -0.000 0.000 0.320 8 F C 0.902 176.667 175.800 -0.059 0.000 1.069 8 F CA -0.477 57.481 58.000 -0.070 0.000 0.953 8 F CB 1.258 40.234 39.000 -0.039 0.000 1.322 8 F HN 0.771 nan 8.300 nan 0.000 0.479 9 G N 1.365 110.268 108.800 0.172 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 0.818 175.736 174.900 0.030 0.000 1.289 9 G CA 0.391 45.537 45.100 0.077 0.000 0.920 9 G HN 0.826 nan 8.290 nan 0.000 0.571 10 N N 0.261 118.974 118.700 0.022 0.000 2.100 10 N HA -0.282 4.458 4.740 -0.000 0.000 0.199 10 N C 1.729 177.236 175.510 -0.005 0.000 1.017 10 N CA 2.310 55.365 53.050 0.008 0.000 0.890 10 N CB -0.394 38.100 38.487 0.012 0.000 1.080 10 N HN 0.697 nan 8.380 nan 0.000 0.525 11 D N 0.721 121.119 120.400 -0.003 0.000 2.355 11 D HA -0.263 4.377 4.640 -0.000 0.000 0.192 11 D C 1.833 178.089 176.300 -0.074 0.000 1.014 11 D CA 1.893 55.882 54.000 -0.018 0.000 0.862 11 D CB -0.782 40.009 40.800 -0.015 0.000 0.986 11 D HN 0.437 nan 8.370 nan 0.000 0.456 12 A N -0.034 122.711 122.820 -0.126 0.000 2.042 12 A HA -0.263 4.057 4.320 -0.000 0.000 0.222 12 A C 2.120 179.608 177.584 -0.161 0.000 1.167 12 A CA 1.936 53.831 52.037 -0.236 0.000 0.649 12 A CB -0.383 18.517 19.000 -0.167 0.000 0.809 12 A HN 0.182 nan 8.150 nan 0.000 0.457 13 R N -1.095 119.359 120.500 -0.076 0.000 2.062 13 R HA 0.012 4.352 4.340 -0.000 0.000 0.218 13 R C 2.241 178.526 176.300 -0.025 0.000 1.161 13 R CA 1.117 57.190 56.100 -0.044 0.000 0.994 13 R CB -0.731 29.556 30.300 -0.022 0.000 0.888 13 R HN 0.508 nan 8.270 nan 0.000 0.442 14 V N 0.867 120.773 119.914 -0.012 0.000 2.439 14 V HA -0.289 3.831 4.120 -0.000 0.000 0.253 14 V C 1.862 177.964 176.094 0.013 0.000 1.074 14 V CA 1.696 63.998 62.300 0.003 0.000 1.076 14 V CB -0.526 31.303 31.823 0.009 0.000 0.664 14 V HN 0.151 nan 8.190 nan 0.000 0.461 15 K N -0.111 120.298 120.400 0.014 0.000 2.026 15 K HA -0.008 4.312 4.320 -0.000 0.000 0.208 15 K C 2.261 178.885 176.600 0.040 0.000 1.048 15 K CA 2.088 58.408 56.287 0.055 0.000 0.929 15 K CB -0.535 32.031 32.500 0.109 0.000 0.713 15 K HN 0.545 nan 8.250 nan 0.000 0.439 16 M N 0.479 120.082 119.600 0.004 0.000 2.080 16 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 16 M C 2.219 178.525 176.300 0.010 0.000 1.068 16 M CA 1.218 56.522 55.300 0.005 0.000 1.109 16 M CB -0.416 32.173 32.600 -0.017 0.000 1.342 16 M HN 0.065 nan 8.290 nan 0.000 0.405 17 L N 0.770 121.996 121.223 0.006 0.000 1.932 17 L HA -0.220 4.120 4.340 -0.000 0.000 0.217 17 L C 2.432 179.309 176.870 0.011 0.000 1.077 17 L CA 2.101 56.946 54.840 0.007 0.000 0.765 17 L CB -1.033 41.029 42.059 0.005 0.000 0.888 17 L HN 0.158 nan 8.230 nan 0.000 0.433 18 R N 0.317 120.826 120.500 0.015 0.000 2.174 18 R HA -0.146 4.194 4.340 -0.000 0.000 0.253 18 R C 2.097 178.408 176.300 0.018 0.000 1.165 18 R CA 1.868 57.978 56.100 0.016 0.000 0.984 18 R CB -1.557 28.756 30.300 0.021 0.000 0.873 18 R HN 0.629 nan 8.270 nan 0.000 0.456 19 G N -0.670 108.145 108.800 0.025 0.000 2.408 19 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 19 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 19 G C 1.403 176.313 174.900 0.017 0.000 1.150 19 G CA 0.943 46.059 45.100 0.026 0.000 0.776 19 G HN 0.373 nan 8.290 nan 0.000 0.542 20 V N -1.271 118.651 119.914 0.013 0.000 2.649 20 V HA 0.020 4.140 4.120 -0.000 0.000 0.248 20 V C 2.181 178.279 176.094 0.006 0.000 1.054 20 V CA 1.524 63.829 62.300 0.009 0.000 1.073 20 V CB -0.596 31.231 31.823 0.007 0.000 0.699 20 V HN 0.121 nan 8.190 nan 0.000 0.463 21 N N 1.102 119.806 118.700 0.007 0.000 2.247 21 N HA -0.137 4.603 4.740 -0.000 0.000 0.189 21 N C 1.647 177.159 175.510 0.003 0.000 1.009 21 N CA 1.711 54.764 53.050 0.004 0.000 0.872 21 N CB -0.443 38.047 38.487 0.005 0.000 0.980 21 N HN 0.524 nan 8.380 nan 0.000 0.436 22 V N 0.791 120.708 119.914 0.004 0.000 2.249 22 V HA -0.145 3.975 4.120 -0.000 0.000 0.239 22 V C 2.341 178.435 176.094 -0.000 0.000 1.038 22 V CA 0.909 63.210 62.300 0.002 0.000 1.005 22 V CB -0.677 31.148 31.823 0.002 0.000 0.646 22 V HN 0.179 nan 8.190 nan 0.000 0.455 23 L N 0.729 121.953 121.223 0.000 0.000 2.103 23 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 23 L C 2.216 179.085 176.870 -0.002 0.000 1.080 23 L CA 2.566 57.406 54.840 -0.002 0.000 0.764 23 L CB -0.992 41.066 42.059 -0.001 0.000 0.890 23 L HN 0.294 nan 8.230 nan 0.000 0.435 24 A N -0.893 121.926 122.820 -0.000 0.000 1.824 24 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 24 A C 1.957 179.540 177.584 -0.002 0.000 1.244 24 A CA 1.362 53.398 52.037 -0.001 0.000 0.604 24 A CB -1.142 17.858 19.000 0.001 0.000 0.900 24 A HN 0.480 nan 8.150 nan 0.000 0.455 25 D N 0.252 120.651 120.400 -0.002 0.000 2.276 25 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 25 D C 1.565 177.862 176.300 -0.004 0.000 1.004 25 D CA 1.610 55.608 54.000 -0.003 0.000 0.898 25 D CB -0.270 40.528 40.800 -0.002 0.000 0.906 25 D HN 0.436 nan 8.370 nan 0.000 0.457 26 A N -0.452 122.366 122.820 -0.004 0.000 2.337 26 A HA 0.286 4.606 4.320 -0.000 0.000 0.227 26 A C 1.643 179.224 177.584 -0.005 0.000 1.259 26 A CA -0.050 51.984 52.037 -0.005 0.000 0.870 26 A CB 0.558 19.555 19.000 -0.005 0.000 0.927 26 A HN 0.128 nan 8.150 nan 0.000 0.497 27 V N -0.796 119.115 119.914 -0.005 0.000 3.245 27 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 27 V C 1.625 177.716 176.094 -0.005 0.000 1.487 27 V CA 0.874 63.171 62.300 -0.005 0.000 1.154 27 V CB 0.042 31.862 31.823 -0.005 0.000 0.971 27 V HN 0.668 nan 8.190 nan 0.000 0.443 28 K N 2.263 122.660 120.400 -0.005 0.000 2.665 28 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 28 K C 1.203 177.798 176.600 -0.007 0.000 1.021 28 K CA 1.398 57.682 56.287 -0.006 0.000 1.066 28 K CB -0.161 32.335 32.500 -0.006 0.000 0.849 28 K HN 0.520 nan 8.250 nan 0.000 0.500 29 V N -2.758 117.152 119.914 -0.006 0.000 2.908 29 V HA -0.044 4.076 4.120 -0.000 0.000 0.240 29 V C 2.139 178.230 176.094 -0.006 0.000 1.117 29 V CA 0.797 63.093 62.300 -0.007 0.000 1.133 29 V CB -0.348 31.472 31.823 -0.006 0.000 0.857 29 V HN 0.431 nan 8.190 nan 0.000 0.478 30 T N -0.471 114.080 114.554 -0.005 0.000 3.427 30 T HA 0.089 4.439 4.350 -0.000 0.000 0.256 30 T C 0.441 175.138 174.700 -0.004 0.000 1.172 30 T CA 0.188 62.285 62.100 -0.005 0.000 1.018 30 T CB -1.049 67.816 68.868 -0.005 0.000 0.981 30 T HN 0.283 nan 8.240 nan 0.000 0.555 31 L N 2.173 123.393 121.223 -0.005 0.000 2.361 31 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 31 L C 0.973 177.841 176.870 -0.003 0.000 1.113 31 L CA 1.478 56.316 54.840 -0.005 0.000 0.849 31 L CB -0.302 41.753 42.059 -0.007 0.000 1.155 31 L HN 0.644 nan 8.230 nan 0.000 0.452 32 G N 5.019 113.819 108.800 -0.001 0.000 2.527 32 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.227 32 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.227 32 G C -2.027 172.875 174.900 0.003 0.000 1.291 32 G CA -0.076 45.026 45.100 0.003 0.000 0.904 32 G HN 0.584 nan 8.290 nan 0.000 0.577 33 P HA 0.224 nan 4.420 nan 0.000 0.226 33 P C 0.896 178.198 177.300 0.004 0.000 1.160 33 P CA 0.808 63.910 63.100 0.004 0.000 0.837 33 P CB 0.233 31.936 31.700 0.005 0.000 0.860 34 K N 1.122 121.526 120.400 0.007 0.000 2.596 34 K HA 0.283 4.603 4.320 -0.000 0.000 0.211 34 K C 0.968 177.569 176.600 0.002 0.000 1.046 34 K CA -0.146 56.144 56.287 0.006 0.000 1.202 34 K CB -0.412 32.095 32.500 0.012 0.000 0.925 34 K HN 0.112 nan 8.250 nan 0.000 0.486 35 G N 1.327 110.127 108.800 0.000 0.000 2.483 35 G HA2 0.178 4.138 3.960 -0.000 0.000 0.248 35 G HA3 0.178 4.138 3.960 -0.000 0.000 0.248 35 G C 0.211 175.110 174.900 -0.002 0.000 1.248 35 G CA -0.473 44.626 45.100 -0.002 0.000 0.838 35 G HN 0.068 nan 8.290 nan 0.000 0.566 36 R N 0.869 121.368 120.500 -0.003 0.000 2.541 36 R HA 0.295 4.635 4.340 -0.000 0.000 0.254 36 R C -0.279 176.019 176.300 -0.003 0.000 1.130 36 R CA -0.885 55.213 56.100 -0.003 0.000 1.152 36 R CB 0.013 30.311 30.300 -0.003 0.000 1.222 36 R HN 0.578 nan 8.270 nan 0.000 0.579 37 N N -1.133 117.566 118.700 -0.003 0.000 2.456 37 N HA 0.416 5.156 4.740 -0.000 0.000 0.296 37 N C -1.160 174.348 175.510 -0.003 0.000 1.102 37 N CA -0.561 52.488 53.050 -0.003 0.000 0.924 37 N CB 1.848 40.334 38.487 -0.002 0.000 1.186 37 N HN 0.088 nan 8.380 nan 0.000 0.492 38 V N 1.717 121.629 119.914 -0.004 0.000 2.540 38 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 38 V C -0.572 175.520 176.094 -0.004 0.000 1.035 38 V CA -0.816 61.481 62.300 -0.005 0.000 0.873 38 V CB 1.820 33.640 31.823 -0.006 0.000 0.992 38 V HN 0.374 nan 8.190 nan 0.000 0.428 39 V N 6.097 126.008 119.914 -0.005 0.000 2.370 39 V HA 0.454 4.574 4.120 -0.000 0.000 0.279 39 V C -0.127 175.962 176.094 -0.007 0.000 1.029 39 V CA -0.495 61.802 62.300 -0.005 0.000 0.870 39 V CB 1.315 33.135 31.823 -0.004 0.000 0.984 39 V HN 0.628 nan 8.190 nan 0.000 0.451 40 L N 3.538 124.756 121.223 -0.007 0.000 2.321 40 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 40 L C 0.144 177.006 176.870 -0.013 0.000 1.050 40 L CA -0.480 54.353 54.840 -0.011 0.000 0.893 40 L CB 0.853 42.906 42.059 -0.010 0.000 1.272 40 L HN 0.634 nan 8.230 nan 0.000 0.435 41 D N 3.152 123.543 120.400 -0.015 0.000 2.571 41 D HA -0.035 4.605 4.640 -0.000 0.000 0.231 41 D C -0.015 176.269 176.300 -0.028 0.000 1.133 41 D CA 1.101 55.089 54.000 -0.019 0.000 0.862 41 D CB 0.894 41.680 40.800 -0.023 0.000 1.179 41 D HN 0.339 nan 8.370 nan 0.000 0.474 42 K N 1.006 121.390 120.400 -0.027 0.000 2.258 42 K HA 0.365 4.685 4.320 -0.000 0.000 0.236 42 K C 1.022 177.581 176.600 -0.069 0.000 1.008 42 K CA -0.593 55.671 56.287 -0.038 0.000 0.869 42 K CB 1.236 33.729 32.500 -0.011 0.000 1.171 42 K HN 0.550 nan 8.250 nan 0.000 0.447 43 S N 0.722 116.341 115.700 -0.135 0.000 2.309 43 S HA 0.054 4.524 4.470 -0.000 0.000 0.206 43 S C 0.466 174.956 174.600 -0.183 0.000 1.028 43 S CA 0.455 58.489 58.200 -0.277 0.000 0.972 43 S CB -0.341 62.531 63.200 -0.547 0.000 0.961 43 S HN 0.364 nan 8.310 nan 0.000 0.449 44 F N 3.146 123.095 119.950 -0.002 0.000 2.404 44 F HA 0.704 5.231 4.527 -0.000 0.000 0.358 44 F C 1.241 177.040 175.800 -0.002 0.000 1.120 44 F CA 0.039 58.038 58.000 -0.002 0.000 1.144 44 F CB 0.570 39.568 39.000 -0.002 0.000 1.133 44 F HN 0.820 nan 8.300 nan 0.000 0.495 45 G N 1.343 110.255 108.800 0.187 0.000 2.352 45 G HA2 0.375 4.335 3.960 -0.000 0.000 0.324 45 G HA3 0.375 4.335 3.960 -0.000 0.000 0.324 45 G C -1.447 173.491 174.900 0.063 0.000 1.249 45 G CA -0.601 44.560 45.100 0.102 0.000 1.053 45 G HN 0.907 nan 8.290 nan 0.000 0.492 46 A N 0.538 123.384 122.820 0.043 0.000 2.310 46 A HA 0.862 5.182 4.320 -0.000 0.000 0.299 46 A C -1.551 176.044 177.584 0.019 0.000 1.147 46 A CA -0.718 51.335 52.037 0.027 0.000 0.818 46 A CB 0.112 19.125 19.000 0.022 0.000 1.096 46 A HN 0.679 nan 8.150 nan 0.000 0.495 47 P HA 0.143 nan 4.420 nan 0.000 0.270 47 P C -0.251 177.052 177.300 0.005 0.000 1.216 47 P CA 0.375 63.478 63.100 0.005 0.000 0.788 47 P CB 0.334 32.036 31.700 0.002 0.000 0.883 48 T N 1.646 116.201 114.554 0.002 0.000 2.797 48 T HA 0.555 4.905 4.350 -0.000 0.000 0.279 48 T C 0.038 174.738 174.700 0.000 0.000 0.991 48 T CA -0.345 61.756 62.100 0.002 0.000 0.979 48 T CB 0.260 69.128 68.868 0.001 0.000 0.943 48 T HN 0.154 nan 8.240 nan 0.000 0.444 49 I N 2.658 123.229 120.570 0.001 0.000 2.362 49 I HA 0.583 4.753 4.170 -0.000 0.000 0.289 49 I C 0.386 176.503 176.117 -0.001 0.000 0.994 49 I CA -0.495 60.805 61.300 -0.000 0.000 1.158 49 I CB 1.765 39.765 38.000 0.001 0.000 1.315 49 I HN 0.517 nan 8.210 nan 0.000 0.451 50 T N 4.181 118.734 114.554 -0.002 0.000 2.762 50 T HA 0.417 4.767 4.350 -0.000 0.000 0.301 50 T C -0.294 174.404 174.700 -0.003 0.000 1.299 50 T CA -0.551 61.548 62.100 -0.002 0.000 1.005 50 T CB 1.836 70.702 68.868 -0.003 0.000 1.377 50 T HN 0.680 nan 8.240 nan 0.000 0.504 51 K N 0.720 121.118 120.400 -0.004 0.000 2.533 51 K HA 0.209 4.529 4.320 -0.000 0.000 0.202 51 K C -0.866 175.730 176.600 -0.005 0.000 1.096 51 K CA -0.250 56.034 56.287 -0.004 0.000 1.056 51 K CB 0.628 33.126 32.500 -0.003 0.000 0.890 51 K HN 0.370 nan 8.250 nan 0.000 0.552 52 D N 0.895 121.291 120.400 -0.006 0.000 2.483 52 D HA 0.086 4.726 4.640 -0.000 0.000 0.220 52 D C 1.322 177.617 176.300 -0.009 0.000 1.173 52 D CA -0.066 53.929 54.000 -0.009 0.000 0.964 52 D CB 0.697 41.492 40.800 -0.009 0.000 1.046 52 D HN 0.274 nan 8.370 nan 0.000 0.517 53 G N 2.132 110.926 108.800 -0.009 0.000 2.581 53 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.223 53 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.223 53 G C 1.448 176.342 174.900 -0.011 0.000 1.094 53 G CA 0.945 46.040 45.100 -0.009 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.519 120.425 119.914 -0.013 0.000 2.283 54 V HA -0.131 3.989 4.120 -0.000 0.000 0.243 54 V C 2.992 179.078 176.094 -0.014 0.000 1.039 54 V CA 2.137 64.427 62.300 -0.016 0.000 1.016 54 V CB -0.620 31.191 31.823 -0.020 0.000 0.650 54 V HN 0.367 nan 8.190 nan 0.000 0.449 55 S N -0.090 115.602 115.700 -0.012 0.000 2.399 55 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 55 S C 1.972 176.565 174.600 -0.011 0.000 1.022 55 S CA 1.313 59.506 58.200 -0.011 0.000 0.983 55 S CB -0.159 63.035 63.200 -0.009 0.000 0.803 55 S HN 0.356 nan 8.310 nan 0.000 0.480 56 V N 1.594 121.502 119.914 -0.010 0.000 2.515 56 V HA -0.150 3.970 4.120 -0.000 0.000 0.250 56 V C 2.449 178.536 176.094 -0.011 0.000 1.058 56 V CA 1.488 63.782 62.300 -0.010 0.000 1.064 56 V CB -1.049 30.769 31.823 -0.009 0.000 0.675 56 V HN 0.523 nan 8.190 nan 0.000 0.461 57 A N -0.195 122.618 122.820 -0.012 0.000 1.825 57 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 57 A C 2.329 179.905 177.584 -0.013 0.000 1.206 57 A CA 1.621 53.650 52.037 -0.012 0.000 0.609 57 A CB -0.665 18.327 19.000 -0.014 0.000 0.851 57 A HN 0.378 nan 8.150 nan 0.000 0.445 58 R N -0.271 120.220 120.500 -0.015 0.000 2.196 58 R HA -0.194 4.146 4.340 -0.000 0.000 0.259 58 R C 1.026 177.317 176.300 -0.015 0.000 1.154 58 R CA 1.746 57.837 56.100 -0.016 0.000 0.976 58 R CB -0.342 29.949 30.300 -0.015 0.000 0.888 58 R HN 0.520 nan 8.270 nan 0.000 0.453 59 E N 0.076 120.267 120.200 -0.015 0.000 2.416 59 E HA 0.056 4.406 4.350 -0.000 0.000 0.189 59 E C 0.168 176.759 176.600 -0.015 0.000 1.091 59 E CA 0.193 56.584 56.400 -0.016 0.000 0.889 59 E CB 0.155 29.846 29.700 -0.016 0.000 1.015 59 E HN 0.230 nan 8.360 nan 0.000 0.479 60 I N 1.061 121.623 120.570 -0.013 0.000 2.437 60 I HA 0.302 4.472 4.170 -0.000 0.000 0.298 60 I C 0.182 176.292 176.117 -0.011 0.000 0.984 60 I CA -0.307 60.986 61.300 -0.011 0.000 1.214 60 I CB 1.410 39.404 38.000 -0.009 0.000 1.365 60 I HN -0.021 nan 8.210 nan 0.000 0.469 61 E N 6.389 126.583 120.200 -0.010 0.000 3.397 61 E HA 0.253 4.603 4.350 -0.000 0.000 0.380 61 E C -1.892 174.702 176.600 -0.010 0.000 0.989 61 E CA -0.408 55.987 56.400 -0.009 0.000 0.783 61 E CB 1.057 30.749 29.700 -0.012 0.000 1.334 61 E HN 0.439 nan 8.360 nan 0.000 0.457 62 L N 2.705 123.925 121.223 -0.006 0.000 2.488 62 L HA 0.410 4.750 4.340 -0.000 0.000 0.249 62 L C 1.657 178.517 176.870 -0.016 0.000 1.151 62 L CA -0.439 54.397 54.840 -0.008 0.000 0.806 62 L CB 0.618 42.677 42.059 -0.000 0.000 1.261 62 L HN 0.733 nan 8.230 nan 0.000 0.484 63 E N 0.260 120.448 120.200 -0.020 0.000 2.022 63 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 63 E C 0.434 177.006 176.600 -0.046 0.000 0.973 63 E CA 0.088 56.469 56.400 -0.032 0.000 0.816 63 E CB 0.145 29.826 29.700 -0.031 0.000 0.781 63 E HN 0.686 nan 8.360 nan 0.000 0.456 64 D N 1.317 121.691 120.400 -0.043 0.000 2.455 64 D HA -0.106 4.534 4.640 -0.000 0.000 0.265 64 D C 0.663 176.917 176.300 -0.076 0.000 1.284 64 D CA 0.169 54.128 54.000 -0.068 0.000 0.944 64 D CB 0.604 41.386 40.800 -0.030 0.000 1.121 64 D HN 0.114 nan 8.370 nan 0.000 0.525 65 K N 3.448 123.754 120.400 -0.156 0.000 2.163 65 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 65 K C 1.697 178.293 176.600 -0.007 0.000 1.048 65 K CA 1.329 57.528 56.287 -0.146 0.000 0.928 65 K CB -0.333 32.002 32.500 -0.275 0.000 0.716 65 K HN 0.468 nan 8.250 nan 0.000 0.459 66 F N 1.394 121.332 119.950 -0.021 0.000 2.074 66 F HA -0.016 4.511 4.527 -0.000 0.000 0.290 66 F C 2.459 178.250 175.800 -0.015 0.000 1.118 66 F CA 0.580 58.569 58.000 -0.020 0.000 1.199 66 F CB -1.140 37.845 39.000 -0.025 0.000 1.012 66 F HN 0.084 nan 8.300 nan 0.000 0.472 67 E N 0.277 120.590 120.200 0.189 0.000 2.108 67 E HA -0.351 3.999 4.350 -0.000 0.000 0.203 67 E C 1.884 178.527 176.600 0.071 0.000 1.022 67 E CA 1.860 58.318 56.400 0.097 0.000 0.823 67 E CB -0.665 29.071 29.700 0.059 0.000 0.744 67 E HN 0.415 nan 8.360 nan 0.000 0.456 68 N N 0.524 119.260 118.700 0.060 0.000 2.104 68 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 68 N C 1.910 177.449 175.510 0.048 0.000 1.024 68 N CA 1.505 54.578 53.050 0.038 0.000 0.853 68 N CB -0.051 38.449 38.487 0.021 0.000 1.008 68 N HN 0.085 nan 8.380 nan 0.000 0.424 69 M N -0.361 119.287 119.600 0.081 0.000 2.082 69 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 69 M C 2.204 178.532 176.300 0.046 0.000 1.069 69 M CA 1.926 57.272 55.300 0.076 0.000 1.102 69 M CB -0.861 31.814 32.600 0.127 0.000 1.336 69 M HN 0.421 nan 8.290 nan 0.000 0.404 70 G N -0.197 108.630 108.800 0.044 0.000 2.552 70 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 70 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 70 G C 1.533 176.444 174.900 0.017 0.000 1.240 70 G CA 1.094 46.207 45.100 0.023 0.000 0.796 70 G HN 0.569 nan 8.290 nan 0.000 0.568 71 A N -0.628 122.204 122.820 0.019 0.000 2.093 71 A HA -0.130 4.190 4.320 -0.000 0.000 0.222 71 A C 2.280 179.868 177.584 0.006 0.000 1.162 71 A CA 2.047 54.091 52.037 0.011 0.000 0.655 71 A CB -0.271 18.735 19.000 0.011 0.000 0.805 71 A HN 0.393 nan 8.150 nan 0.000 0.461 72 Q N -1.426 118.380 119.800 0.010 0.000 2.398 72 Q HA 0.129 4.469 4.340 -0.000 0.000 0.204 72 Q C 1.904 177.903 176.000 -0.001 0.000 0.932 72 Q CA 0.668 56.474 55.803 0.004 0.000 0.916 72 Q CB -0.005 28.738 28.738 0.009 0.000 1.024 72 Q HN 0.834 nan 8.270 nan 0.000 0.504 73 M N -0.782 118.818 119.600 0.001 0.000 2.142 73 M HA -0.084 4.396 4.480 -0.000 0.000 0.256 73 M C 2.228 178.520 176.300 -0.012 0.000 1.098 73 M CA 0.936 56.234 55.300 -0.004 0.000 1.151 73 M CB -0.761 31.839 32.600 0.001 0.000 1.299 73 M HN 0.037 nan 8.290 nan 0.000 0.431 74 V N 1.114 121.024 119.914 -0.005 0.000 2.370 74 V HA -0.339 3.781 4.120 -0.000 0.000 0.252 74 V C 2.204 178.287 176.094 -0.017 0.000 1.068 74 V CA 2.535 64.831 62.300 -0.006 0.000 1.061 74 V CB -0.701 31.123 31.823 0.002 0.000 0.656 74 V HN 0.557 nan 8.190 nan 0.000 0.455 75 K N -0.696 119.694 120.400 -0.016 0.000 2.057 75 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 75 K C 2.320 178.898 176.600 -0.037 0.000 1.049 75 K CA 1.866 58.140 56.287 -0.022 0.000 0.931 75 K CB -0.291 32.200 32.500 -0.016 0.000 0.714 75 K HN 0.580 nan 8.250 nan 0.000 0.440 76 E N 0.402 120.578 120.200 -0.039 0.000 2.208 76 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 76 E C 1.853 178.394 176.600 -0.097 0.000 0.988 76 E CA 0.563 56.929 56.400 -0.056 0.000 0.828 76 E CB 0.167 29.842 29.700 -0.041 0.000 0.763 76 E HN 0.188 nan 8.360 nan 0.000 0.478 77 V N 0.467 120.321 119.914 -0.101 0.000 2.379 77 V HA -0.089 4.031 4.120 -0.000 0.000 0.243 77 V C 2.279 178.230 176.094 -0.238 0.000 1.035 77 V CA 1.598 63.789 62.300 -0.181 0.000 1.035 77 V CB -0.261 31.500 31.823 -0.103 0.000 0.673 77 V HN 0.280 nan 8.190 nan 0.000 0.457 78 A N 0.586 123.338 122.820 -0.113 0.000 1.917 78 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 78 A C 2.521 180.043 177.584 -0.104 0.000 1.182 78 A CA 2.743 54.737 52.037 -0.072 0.000 0.633 78 A CB -1.196 17.788 19.000 -0.026 0.000 0.819 78 A HN 0.917 nan 8.150 nan 0.000 0.448 79 S N -0.207 115.430 115.700 -0.106 0.000 2.462 79 S HA -0.235 4.235 4.470 -0.000 0.000 0.243 79 S C 1.683 176.206 174.600 -0.127 0.000 1.003 79 S CA 1.742 59.886 58.200 -0.092 0.000 0.970 79 S CB -0.427 62.727 63.200 -0.077 0.000 0.762 79 S HN 0.661 nan 8.310 nan 0.000 0.510 80 K N 1.099 121.347 120.400 -0.253 0.000 2.116 80 K HA 0.214 4.534 4.320 -0.000 0.000 0.203 80 K C 2.606 179.125 176.600 -0.136 0.000 1.052 80 K CA 0.863 56.947 56.287 -0.339 0.000 0.952 80 K CB -0.475 31.512 32.500 -0.854 0.000 0.729 80 K HN 0.475 nan 8.250 nan 0.000 0.446 81 A N 1.926 124.719 122.820 -0.044 0.000 1.883 81 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 81 A C 1.928 179.567 177.584 0.093 0.000 1.186 81 A CA 2.115 54.267 52.037 0.192 0.000 0.624 81 A CB -0.822 18.287 19.000 0.182 0.000 0.822 81 A HN 0.304 nan 8.150 nan 0.000 0.444 82 N N 0.011 118.725 118.700 0.023 0.000 2.104 82 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 82 N C 1.234 176.743 175.510 -0.000 0.000 1.024 82 N CA 1.702 54.748 53.050 -0.005 0.000 0.853 82 N CB -0.215 38.253 38.487 -0.032 0.000 1.008 82 N HN 0.434 nan 8.380 nan 0.000 0.424 83 D N -0.537 119.865 120.400 0.004 0.000 2.178 83 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 83 D C 1.549 177.883 176.300 0.056 0.000 0.980 83 D CA 1.156 55.164 54.000 0.015 0.000 0.842 83 D CB -0.148 40.647 40.800 -0.009 0.000 0.948 83 D HN 0.434 nan 8.370 nan 0.000 0.472 84 A N 0.913 123.786 122.820 0.089 0.000 1.864 84 A HA 0.313 4.633 4.320 -0.000 0.000 0.213 84 A C 2.142 179.785 177.584 0.098 0.000 1.266 84 A CA 1.338 53.437 52.037 0.104 0.000 0.612 84 A CB -0.750 18.338 19.000 0.148 0.000 0.940 84 A HN 0.197 nan 8.150 nan 0.000 0.463 85 A N -1.706 121.170 122.820 0.093 0.000 1.833 85 A HA 0.396 4.716 4.320 -0.000 0.000 0.215 85 A C 1.842 179.488 177.584 0.103 0.000 1.275 85 A CA 2.229 54.317 52.037 0.085 0.000 0.602 85 A CB -0.882 18.157 19.000 0.064 0.000 0.929 85 A HN 1.655 nan 8.150 nan 0.000 0.462 86 G N -2.327 106.494 108.800 0.035 0.000 4.362 86 G HA2 0.320 4.280 3.960 -0.000 0.000 0.220 86 G HA3 0.320 4.280 3.960 -0.000 0.000 0.220 86 G C -0.367 174.489 174.900 -0.074 0.000 0.795 86 G CA 0.756 45.817 45.100 -0.065 0.000 0.920 86 G HN 0.784 nan 8.290 nan 0.000 0.715 87 D N -2.785 117.603 120.400 -0.019 0.000 2.970 87 D HA 0.516 5.156 4.640 -0.000 0.000 0.344 87 D C 1.196 177.502 176.300 0.011 0.000 1.365 87 D CA 1.090 55.082 54.000 -0.013 0.000 0.910 87 D CB 0.274 41.069 40.800 -0.008 0.000 1.445 87 D HN 1.192 nan 8.370 nan 0.000 0.532 88 G N -1.060 107.747 108.800 0.012 0.000 2.308 88 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.221 88 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.221 88 G C 1.370 176.285 174.900 0.026 0.000 1.032 88 G CA 1.198 46.313 45.100 0.025 0.000 0.623 88 G HN 1.244 nan 8.290 nan 0.000 0.506 89 T N -0.734 113.830 114.554 0.016 0.000 2.649 89 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 89 T C 2.225 176.929 174.700 0.006 0.000 1.036 89 T CA 3.150 65.255 62.100 0.007 0.000 1.157 89 T CB -1.212 67.650 68.868 -0.010 0.000 0.861 89 T HN 0.656 nan 8.240 nan 0.000 0.445 90 T N 1.475 116.030 114.554 0.002 0.000 2.833 90 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 90 T C 2.229 176.933 174.700 0.006 0.000 1.054 90 T CA 1.779 63.880 62.100 0.001 0.000 1.135 90 T CB -0.819 68.048 68.868 -0.002 0.000 0.869 90 T HN 0.650 nan 8.240 nan 0.000 0.466 91 T N 2.066 116.626 114.554 0.011 0.000 2.732 91 T HA 0.102 4.452 4.350 -0.000 0.000 0.261 91 T C 2.504 177.217 174.700 0.021 0.000 1.040 91 T CA 0.908 63.017 62.100 0.014 0.000 1.145 91 T CB -0.699 68.180 68.868 0.017 0.000 0.866 91 T HN 0.405 nan 8.240 nan 0.000 0.427 92 A N 2.048 124.888 122.820 0.033 0.000 1.869 92 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 92 A C 2.564 180.166 177.584 0.030 0.000 1.203 92 A CA 2.603 54.668 52.037 0.046 0.000 0.638 92 A CB -1.685 17.353 19.000 0.064 0.000 0.831 92 A HN 0.480 nan 8.150 nan 0.000 0.450 93 T N -0.782 113.783 114.554 0.019 0.000 2.685 93 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 93 T C 1.824 176.529 174.700 0.009 0.000 1.034 93 T CA 1.834 63.940 62.100 0.010 0.000 1.149 93 T CB -0.706 68.164 68.868 0.003 0.000 0.860 93 T HN 0.419 nan 8.240 nan 0.000 0.449 94 V N 0.477 120.396 119.914 0.008 0.000 2.667 94 V HA 0.028 4.147 4.120 -0.000 0.000 0.252 94 V C 2.055 178.153 176.094 0.007 0.000 1.065 94 V CA 1.223 63.526 62.300 0.005 0.000 1.083 94 V CB -0.476 31.348 31.823 0.002 0.000 0.692 94 V HN 0.479 nan 8.190 nan 0.000 0.468 95 L N 0.047 121.278 121.223 0.012 0.000 2.023 95 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 95 L C 2.876 179.755 176.870 0.015 0.000 1.073 95 L CA 1.525 56.373 54.840 0.014 0.000 0.745 95 L CB -0.924 41.147 42.059 0.021 0.000 0.900 95 L HN 0.399 nan 8.230 nan 0.000 0.435 96 A N -0.451 122.381 122.820 0.020 0.000 1.869 96 A HA -0.366 3.954 4.320 -0.000 0.000 0.218 96 A C 2.214 179.805 177.584 0.013 0.000 1.203 96 A CA 2.319 54.367 52.037 0.020 0.000 0.638 96 A CB -0.980 18.032 19.000 0.021 0.000 0.831 96 A HN 0.519 nan 8.150 nan 0.000 0.450 97 Q N -0.751 119.055 119.800 0.010 0.000 2.082 97 Q HA -0.304 4.036 4.340 -0.000 0.000 0.211 97 Q C 2.293 178.296 176.000 0.005 0.000 1.002 97 Q CA 2.489 58.296 55.803 0.006 0.000 0.868 97 Q CB -0.434 28.306 28.738 0.004 0.000 0.931 97 Q HN 0.656 nan 8.270 nan 0.000 0.414 98 A N 0.541 123.364 122.820 0.005 0.000 1.883 98 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 98 A C 2.001 179.587 177.584 0.004 0.000 1.186 98 A CA 1.757 53.797 52.037 0.003 0.000 0.624 98 A CB -0.723 18.279 19.000 0.003 0.000 0.822 98 A HN 0.488 nan 8.150 nan 0.000 0.444 99 I N -0.322 120.252 120.570 0.007 0.000 2.133 99 I HA -0.235 3.935 4.170 -0.000 0.000 0.238 99 I C 2.318 178.439 176.117 0.006 0.000 1.074 99 I CA 1.412 62.716 61.300 0.007 0.000 1.342 99 I CB -0.536 37.470 38.000 0.010 0.000 1.053 99 I HN 0.266 nan 8.210 nan 0.000 0.404 100 I N 0.852 121.426 120.570 0.007 0.000 2.194 100 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 100 I C 2.560 178.679 176.117 0.004 0.000 1.093 100 I CA 1.810 63.114 61.300 0.005 0.000 1.355 100 I CB -0.931 37.072 38.000 0.006 0.000 1.046 100 I HN 0.322 nan 8.210 nan 0.000 0.413 101 T N -0.173 114.383 114.554 0.004 0.000 2.788 101 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 101 T C 1.785 176.486 174.700 0.002 0.000 1.044 101 T CA 1.140 63.242 62.100 0.003 0.000 1.139 101 T CB -0.116 68.753 68.868 0.002 0.000 0.867 101 T HN 0.296 nan 8.240 nan 0.000 0.454 102 E N 0.376 120.577 120.200 0.002 0.000 2.250 102 E HA 0.144 4.494 4.350 -0.000 0.000 0.192 102 E C 2.393 178.994 176.600 0.002 0.000 0.986 102 E CA 0.407 56.808 56.400 0.002 0.000 0.849 102 E CB -0.423 29.278 29.700 0.002 0.000 0.797 102 E HN 0.524 nan 8.360 nan 0.000 0.482 103 G N 1.752 110.553 108.800 0.002 0.000 2.505 103 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 103 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 103 G C 1.617 176.518 174.900 0.001 0.000 1.237 103 G CA 0.477 45.578 45.100 0.002 0.000 0.802 103 G HN 0.191 nan 8.290 nan 0.000 0.549 104 L N 0.337 121.561 121.223 0.001 0.000 2.263 104 L HA -0.074 4.266 4.340 -0.000 0.000 0.216 104 L C 2.718 179.588 176.870 0.001 0.000 1.111 104 L CA 1.234 56.074 54.840 0.000 0.000 0.773 104 L CB -0.350 41.709 42.059 0.000 0.000 0.906 104 L HN 0.247 nan 8.230 nan 0.000 0.439 105 K N 0.221 120.622 120.400 0.001 0.000 2.288 105 K HA -0.068 4.252 4.320 -0.000 0.000 0.201 105 K C 2.084 178.685 176.600 0.001 0.000 1.048 105 K CA 0.902 57.190 56.287 0.002 0.000 0.956 105 K CB 0.118 32.619 32.500 0.001 0.000 0.746 105 K HN 0.297 nan 8.250 nan 0.000 0.461 106 A N 0.186 123.007 122.820 0.001 0.000 1.862 106 A HA -0.013 4.307 4.320 -0.000 0.000 0.211 106 A C 2.087 179.671 177.584 0.000 0.000 1.220 106 A CA 0.730 52.768 52.037 0.001 0.000 0.616 106 A CB -0.615 18.385 19.000 0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.506 120.420 119.914 0.000 0.000 2.233 107 V HA -0.366 3.754 4.120 -0.000 0.000 0.252 107 V C 2.957 179.051 176.094 0.000 0.000 1.063 107 V CA 2.384 64.684 62.300 -0.001 0.000 1.032 107 V CB -1.303 30.519 31.823 -0.001 0.000 0.645 107 V HN 0.606 nan 8.190 nan 0.000 0.446 108 A N -0.694 122.126 122.820 0.001 0.000 2.225 108 A HA 0.110 4.430 4.320 -0.000 0.000 0.215 108 A C 2.116 179.702 177.584 0.002 0.000 1.164 108 A CA 1.567 53.605 52.037 0.002 0.000 0.710 108 A CB -0.530 18.472 19.000 0.003 0.000 0.780 108 A HN 0.662 nan 8.150 nan 0.000 0.473 109 A N -2.138 120.683 122.820 0.001 0.000 2.195 109 A HA 0.449 4.769 4.320 -0.000 0.000 0.210 109 A C 1.612 179.196 177.584 0.000 0.000 1.165 109 A CA 1.180 53.217 52.037 0.001 0.000 0.806 109 A CB -0.316 18.685 19.000 0.001 0.000 0.847 109 A HN 1.670 nan 8.150 nan 0.000 0.482 110 G N -1.952 106.848 108.800 -0.000 0.000 2.183 110 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.168 110 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.168 110 G C 0.071 174.970 174.900 -0.002 0.000 1.008 110 G CA 0.024 45.123 45.100 -0.001 0.000 0.677 110 G HN 0.280 nan 8.290 nan 0.000 0.498 111 M N 0.841 120.440 119.600 -0.002 0.000 2.359 111 M HA 0.370 4.850 4.480 -0.000 0.000 0.322 111 M C 0.530 176.828 176.300 -0.003 0.000 1.166 111 M CA -0.785 54.513 55.300 -0.002 0.000 1.067 111 M CB 0.827 33.426 32.600 -0.001 0.000 1.523 111 M HN 0.150 nan 8.290 nan 0.000 0.467 112 N N 1.832 120.529 118.700 -0.004 0.000 2.475 112 N HA 0.112 4.852 4.740 -0.000 0.000 0.267 112 N C -2.267 173.240 175.510 -0.004 0.000 1.169 112 N CA -1.229 51.818 53.050 -0.005 0.000 0.947 112 N CB 1.297 39.781 38.487 -0.005 0.000 1.061 112 N HN 0.256 nan 8.380 nan 0.000 0.466 113 P HA -0.057 nan 4.420 nan 0.000 0.214 113 P C 1.757 179.055 177.300 -0.003 0.000 1.162 113 P CA 1.166 64.264 63.100 -0.004 0.000 0.879 113 P CB 0.179 31.876 31.700 -0.005 0.000 0.786 114 M N -0.544 119.053 119.600 -0.005 0.000 2.260 114 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 114 M C 1.185 177.483 176.300 -0.003 0.000 1.066 114 M CA 1.670 56.967 55.300 -0.004 0.000 1.082 114 M CB -1.481 31.115 32.600 -0.006 0.000 1.388 114 M HN 0.005 nan 8.290 nan 0.000 0.419 115 D N -0.136 120.262 120.400 -0.003 0.000 2.149 115 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 115 D C 2.238 178.537 176.300 -0.001 0.000 0.967 115 D CA 0.720 54.719 54.000 -0.002 0.000 0.848 115 D CB -0.185 40.613 40.800 -0.003 0.000 0.998 115 D HN 0.303 nan 8.370 nan 0.000 0.474 116 L N 1.021 122.243 121.223 -0.001 0.000 2.137 116 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 116 L C 2.475 179.346 176.870 0.001 0.000 1.085 116 L CA 1.221 56.061 54.840 -0.000 0.000 0.760 116 L CB -0.362 41.697 42.059 -0.000 0.000 0.893 116 L HN 0.038 nan 8.230 nan 0.000 0.434 117 K N 0.289 120.690 120.400 0.001 0.000 2.097 117 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 117 K C 2.301 178.902 176.600 0.002 0.000 1.050 117 K CA 1.146 57.434 56.287 0.002 0.000 0.938 117 K CB 0.062 32.564 32.500 0.002 0.000 0.718 117 K HN 0.120 nan 8.250 nan 0.000 0.442 118 R N -0.223 120.277 120.500 0.000 0.000 2.057 118 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 118 R C 2.375 178.675 176.300 -0.000 0.000 1.136 118 R CA 1.591 57.690 56.100 -0.000 0.000 0.952 118 R CB -0.657 29.643 30.300 -0.001 0.000 0.848 118 R HN 0.379 nan 8.270 nan 0.000 0.430 119 G N 1.127 109.927 108.800 -0.000 0.000 2.505 119 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 119 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 119 G C 1.441 176.341 174.900 0.000 0.000 1.145 119 G CA 1.230 46.330 45.100 -0.000 0.000 0.761 119 G HN 0.291 nan 8.290 nan 0.000 0.571 120 I N 0.639 121.209 120.570 0.001 0.000 2.179 120 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 120 I C 2.247 178.364 176.117 0.000 0.000 1.088 120 I CA 1.323 62.624 61.300 0.001 0.000 1.357 120 I CB -0.179 37.823 38.000 0.003 0.000 1.051 120 I HN 0.090 nan 8.210 nan 0.000 0.409 121 D N 0.529 120.929 120.400 -0.000 0.000 2.264 121 D HA -0.183 4.457 4.640 -0.000 0.000 0.208 121 D C 2.006 178.303 176.300 -0.004 0.000 0.966 121 D CA 0.983 54.981 54.000 -0.002 0.000 0.864 121 D CB -0.008 40.792 40.800 -0.001 0.000 0.933 121 D HN 0.344 nan 8.370 nan 0.000 0.499 122 K N 0.888 121.286 120.400 -0.003 0.000 1.991 122 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 122 K C 2.140 178.738 176.600 -0.004 0.000 1.045 122 K CA 0.975 57.260 56.287 -0.004 0.000 0.937 122 K CB -0.045 32.454 32.500 -0.002 0.000 0.720 122 K HN -0.071 nan 8.250 nan 0.000 0.438 123 A N 0.881 123.699 122.820 -0.002 0.000 1.971 123 A HA -0.187 4.133 4.320 -0.000 0.000 0.222 123 A C 2.213 179.795 177.584 -0.003 0.000 1.182 123 A CA 2.039 54.075 52.037 -0.002 0.000 0.649 123 A CB -0.788 18.211 19.000 -0.000 0.000 0.818 123 A HN 0.228 nan 8.150 nan 0.000 0.458 124 V N -0.796 119.114 119.914 -0.005 0.000 2.273 124 V HA -0.184 3.936 4.120 -0.000 0.000 0.242 124 V C 2.672 178.758 176.094 -0.013 0.000 1.035 124 V CA 2.339 64.633 62.300 -0.009 0.000 1.013 124 V CB -1.253 30.562 31.823 -0.012 0.000 0.652 124 V HN 0.611 nan 8.190 nan 0.000 0.452 125 T N 0.620 115.166 114.554 -0.013 0.000 2.802 125 T HA -0.252 4.098 4.350 -0.000 0.000 0.269 125 T C 1.834 176.528 174.700 -0.011 0.000 1.062 125 T CA 1.681 63.773 62.100 -0.014 0.000 1.133 125 T CB -0.399 68.462 68.868 -0.012 0.000 0.852 125 T HN 0.569 nan 8.240 nan 0.000 0.485 126 A N 1.356 124.171 122.820 -0.008 0.000 1.850 126 A HA 0.445 4.765 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 1.236 53.270 52.037 -0.005 0.000 0.609 126 A CB -1.215 17.783 19.000 -0.003 0.000 0.860 126 A HN 0.478 nan 8.150 nan 0.000 0.448 127 A N -0.313 122.504 122.820 -0.004 0.000 2.024 127 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 127 A C 2.092 179.672 177.584 -0.006 0.000 1.164 127 A CA 1.812 53.847 52.037 -0.003 0.000 0.643 127 A CB -0.904 18.095 19.000 -0.002 0.000 0.806 127 A HN 0.441 nan 8.150 nan 0.000 0.451 128 V N -0.296 119.612 119.914 -0.011 0.000 2.594 128 V HA -0.239 3.881 4.120 -0.000 0.000 0.253 128 V C 2.252 178.339 176.094 -0.011 0.000 1.069 128 V CA 2.224 64.514 62.300 -0.016 0.000 1.082 128 V CB -0.726 31.082 31.823 -0.025 0.000 0.680 128 V HN 0.657 nan 8.190 nan 0.000 0.469 129 E N -0.237 119.958 120.200 -0.008 0.000 2.075 129 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 129 E C 2.172 178.772 176.600 -0.001 0.000 0.969 129 E CA 0.547 56.944 56.400 -0.005 0.000 0.815 129 E CB -0.096 29.602 29.700 -0.004 0.000 0.776 129 E HN 0.425 nan 8.360 nan 0.000 0.457 130 E N 0.995 121.195 120.200 0.000 0.000 2.284 130 E HA -0.202 4.148 4.350 -0.000 0.000 0.200 130 E C 1.709 178.313 176.600 0.005 0.000 1.008 130 E CA 0.583 56.986 56.400 0.004 0.000 0.829 130 E CB -0.039 29.663 29.700 0.005 0.000 0.744 130 E HN 0.122 nan 8.360 nan 0.000 0.491 131 L N 0.190 121.415 121.223 0.003 0.000 2.162 131 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 131 L C 1.674 178.547 176.870 0.004 0.000 1.086 131 L CA 1.309 56.151 54.840 0.004 0.000 0.778 131 L CB -0.011 42.048 42.059 0.000 0.000 0.928 131 L HN -0.078 nan 8.230 nan 0.000 0.446 132 K N -0.423 119.978 120.400 0.001 0.000 2.574 132 K HA -0.017 4.303 4.320 -0.000 0.000 0.193 132 K C 1.766 178.369 176.600 0.004 0.000 1.035 132 K CA 0.565 56.853 56.287 0.002 0.000 0.982 132 K CB -0.052 32.448 32.500 -0.001 0.000 0.795 132 K HN 0.439 nan 8.250 nan 0.000 0.491 133 A N 1.466 124.290 122.820 0.006 0.000 1.835 133 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 133 A C 1.980 179.571 177.584 0.011 0.000 1.210 133 A CA 0.709 52.751 52.037 0.008 0.000 0.605 133 A CB -0.501 18.505 19.000 0.009 0.000 0.860 133 A HN 0.110 nan 8.150 nan 0.000 0.447 134 L N 0.486 121.717 121.223 0.013 0.000 2.081 134 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 134 L C 1.547 178.427 176.870 0.015 0.000 1.080 134 L CA 1.185 56.036 54.840 0.017 0.000 0.754 134 L CB -1.265 40.806 42.059 0.021 0.000 0.893 134 L HN 0.429 nan 8.230 nan 0.000 0.433 135 S N 0.489 116.196 115.700 0.012 0.000 3.225 135 S HA -0.013 4.457 4.470 -0.000 0.000 0.378 135 S C -0.069 174.538 174.600 0.011 0.000 1.190 135 S CA -0.285 57.922 58.200 0.011 0.000 1.104 135 S CB -0.104 63.100 63.200 0.008 0.000 0.795 135 S HN 0.078 nan 8.310 nan 0.000 0.517 136 V N 9.881 129.803 119.914 0.012 0.000 2.304 136 V HA 0.296 4.416 4.120 -0.000 0.000 0.269 136 V C -1.645 174.455 176.094 0.010 0.000 1.036 136 V CA -1.724 60.583 62.300 0.012 0.000 0.840 136 V CB 0.611 32.442 31.823 0.014 0.000 1.036 136 V HN 0.770 nan 8.190 nan 0.000 0.466 137 P HA -0.151 nan 4.420 nan 0.000 0.277 137 P C -0.088 177.216 177.300 0.007 0.000 1.237 137 P CA 0.243 63.347 63.100 0.007 0.000 0.819 137 P CB 0.306 32.009 31.700 0.006 0.000 0.841 138 C N 0.862 120.166 119.300 0.006 0.000 3.079 138 C HA 0.297 4.757 4.460 -0.000 0.000 0.246 138 C C 1.197 176.190 174.990 0.004 0.000 1.025 138 C CA 0.037 59.058 59.018 0.006 0.000 1.081 138 C CB -1.368 26.377 27.740 0.007 0.000 1.757 138 C HN 0.550 nan 8.230 nan 0.000 0.646 139 S N 0.598 116.300 115.700 0.003 0.000 2.527 139 S HA 0.084 4.554 4.470 -0.000 0.000 0.227 139 S C 0.368 174.969 174.600 0.001 0.000 1.059 139 S CA 0.184 58.385 58.200 0.002 0.000 0.919 139 S CB 0.042 63.243 63.200 0.001 0.000 0.805 139 S HN 0.920 nan 8.310 nan 0.000 0.500 140 D N 2.311 122.712 120.400 0.002 0.000 2.348 140 D HA 0.083 4.723 4.640 -0.000 0.000 0.253 140 D C 0.686 176.987 176.300 0.001 0.000 1.161 140 D CA 0.004 54.004 54.000 0.001 0.000 0.876 140 D CB 1.125 41.926 40.800 0.002 0.000 1.160 140 D HN 0.162 nan 8.370 nan 0.000 0.459 141 S N 1.654 117.354 115.700 0.000 0.000 2.559 141 S HA -0.242 4.228 4.470 -0.000 0.000 0.250 141 S C 1.354 175.954 174.600 0.001 0.000 0.977 141 S CA 0.701 58.901 58.200 -0.000 0.000 0.958 141 S CB -0.297 62.903 63.200 -0.001 0.000 0.751 141 S HN 0.660 nan 8.310 nan 0.000 0.534 142 K N 1.337 121.738 120.400 0.002 0.000 2.168 142 K HA 0.254 4.574 4.320 -0.000 0.000 0.201 142 K C 2.226 178.828 176.600 0.003 0.000 1.049 142 K CA 0.746 57.035 56.287 0.002 0.000 0.974 142 K CB -0.431 32.070 32.500 0.003 0.000 0.792 142 K HN 0.354 nan 8.250 nan 0.000 0.463 143 A N 1.337 124.159 122.820 0.004 0.000 2.014 143 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 143 A C 1.978 179.565 177.584 0.005 0.000 1.163 143 A CA 0.737 52.777 52.037 0.005 0.000 0.652 143 A CB -0.420 18.583 19.000 0.006 0.000 0.808 143 A HN 0.321 nan 8.150 nan 0.000 0.449 144 I N -0.328 120.245 120.570 0.004 0.000 2.286 144 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 144 I C 2.959 179.078 176.117 0.004 0.000 1.115 144 I CA 0.967 62.269 61.300 0.003 0.000 1.392 144 I CB -0.273 37.727 38.000 0.001 0.000 1.065 144 I HN 0.385 nan 8.210 nan 0.000 0.418 145 A N 0.358 123.180 122.820 0.003 0.000 1.877 145 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 145 A C 2.208 179.795 177.584 0.005 0.000 1.186 145 A CA 1.642 53.681 52.037 0.004 0.000 0.620 145 A CB -0.721 18.281 19.000 0.003 0.000 0.822 145 A HN 0.464 nan 8.150 nan 0.000 0.443 146 Q N -0.540 119.263 119.800 0.006 0.000 2.152 146 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 146 Q C 2.132 178.137 176.000 0.008 0.000 0.985 146 Q CA 1.682 57.489 55.803 0.006 0.000 0.863 146 Q CB -0.460 28.282 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.298 120.217 119.914 0.009 0.000 2.229 147 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 147 V C 2.289 178.390 176.094 0.012 0.000 1.042 147 V CA 2.061 64.368 62.300 0.011 0.000 1.000 147 V CB -1.265 30.565 31.823 0.012 0.000 0.637 147 V HN 0.552 nan 8.190 nan 0.000 0.446 148 G N -0.662 108.145 108.800 0.011 0.000 2.503 148 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.221 148 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.221 148 G C 1.650 176.557 174.900 0.011 0.000 1.131 148 G CA 1.774 46.881 45.100 0.012 0.000 0.756 148 G HN 0.484 nan 8.290 nan 0.000 0.572 149 T N 1.004 115.563 114.554 0.009 0.000 2.821 149 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 149 T C 2.295 176.999 174.700 0.008 0.000 1.046 149 T CA 0.863 62.968 62.100 0.007 0.000 1.139 149 T CB -0.093 68.779 68.868 0.006 0.000 0.871 149 T HN 0.326 nan 8.240 nan 0.000 0.454 150 I N 0.657 121.232 120.570 0.009 0.000 2.876 150 I HA 0.006 4.176 4.170 -0.000 0.000 0.264 150 I C 2.119 178.242 176.117 0.010 0.000 1.204 150 I CA 0.530 61.835 61.300 0.008 0.000 1.485 150 I CB -0.078 37.927 38.000 0.009 0.000 1.103 150 I HN 0.108 nan 8.210 nan 0.000 0.446 151 S N 0.828 116.536 115.700 0.013 0.000 2.527 151 S HA 0.152 4.622 4.470 -0.000 0.000 0.222 151 S C 1.670 176.279 174.600 0.015 0.000 0.985 151 S CA 0.709 58.919 58.200 0.016 0.000 0.921 151 S CB 0.151 63.365 63.200 0.024 0.000 0.772 151 S HN 0.477 nan 8.310 nan 0.000 0.529 152 A N 1.364 124.192 122.820 0.012 0.000 2.500 152 A HA 0.441 4.761 4.320 -0.000 0.000 0.267 152 A C 0.563 178.151 177.584 0.007 0.000 1.290 152 A CA -0.376 51.668 52.037 0.010 0.000 0.928 152 A CB -0.418 18.588 19.000 0.010 0.000 1.066 152 A HN 0.367 nan 8.150 nan 0.000 0.516 153 N N -0.201 118.502 118.700 0.006 0.000 2.746 153 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 153 N C 0.215 175.726 175.510 0.003 0.000 1.055 153 N CA 1.047 54.099 53.050 0.004 0.000 0.699 153 N CB -1.845 36.644 38.487 0.003 0.000 0.919 153 N HN 0.524 nan 8.380 nan 0.000 0.548 154 S N -1.595 114.107 115.700 0.003 0.000 3.490 154 S HA -0.233 4.237 4.470 -0.000 0.000 0.301 154 S C -0.357 174.245 174.600 0.002 0.000 1.233 154 S CA 0.830 59.031 58.200 0.002 0.000 0.914 154 S CB -1.046 62.154 63.200 0.000 0.000 1.047 154 S HN 0.770 nan 8.310 nan 0.000 0.602 155 D N 1.364 121.766 120.400 0.003 0.000 2.441 155 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 155 D C 1.130 177.432 176.300 0.004 0.000 1.156 155 D CA -0.265 53.737 54.000 0.003 0.000 0.896 155 D CB 0.511 41.314 40.800 0.004 0.000 1.028 155 D HN 0.468 nan 8.370 nan 0.000 0.509 156 E N 1.382 121.584 120.200 0.003 0.000 2.130 156 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 156 E C 1.515 178.116 176.600 0.003 0.000 0.998 156 E CA 1.290 57.692 56.400 0.003 0.000 0.806 156 E CB 0.158 29.859 29.700 0.002 0.000 0.738 156 E HN 0.504 nan 8.360 nan 0.000 0.459 157 T N 1.048 115.603 114.554 0.002 0.000 2.699 157 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 157 T C 2.106 176.807 174.700 0.003 0.000 1.036 157 T CA 1.461 63.563 62.100 0.002 0.000 1.147 157 T CB -0.327 68.542 68.868 0.002 0.000 0.862 157 T HN -0.002 nan 8.240 nan 0.000 0.446 158 V N 1.521 121.437 119.914 0.004 0.000 2.216 158 V HA -0.106 4.014 4.120 -0.000 0.000 0.243 158 V C 2.934 179.030 176.094 0.004 0.000 1.044 158 V CA 2.023 64.326 62.300 0.005 0.000 0.995 158 V CB -1.636 30.191 31.823 0.007 0.000 0.633 158 V HN 0.577 nan 8.190 nan 0.000 0.446 159 G N -0.020 108.783 108.800 0.005 0.000 2.663 159 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.222 159 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.222 159 G C 1.634 176.536 174.900 0.002 0.000 1.146 159 G CA 1.791 46.894 45.100 0.004 0.000 0.764 159 G HN 0.548 nan 8.290 nan 0.000 0.608 160 K N 0.052 120.453 120.400 0.002 0.000 2.002 160 K HA 0.034 4.354 4.320 -0.000 0.000 0.209 160 K C 2.626 179.226 176.600 -0.001 0.000 1.048 160 K CA 1.113 57.401 56.287 0.000 0.000 0.930 160 K CB -0.370 32.130 32.500 0.000 0.000 0.714 160 K HN 0.349 nan 8.250 nan 0.000 0.438 161 L N 1.158 122.381 121.223 -0.000 0.000 2.034 161 L HA -0.290 4.050 4.340 -0.000 0.000 0.217 161 L C 2.500 179.368 176.870 -0.004 0.000 1.077 161 L CA 1.635 56.474 54.840 -0.002 0.000 0.769 161 L CB -0.416 41.642 42.059 -0.001 0.000 0.890 161 L HN 0.326 nan 8.230 nan 0.000 0.435 162 I N -0.763 119.805 120.570 -0.003 0.000 2.058 162 I HA -0.338 3.832 4.170 -0.000 0.000 0.235 162 I C 2.810 178.924 176.117 -0.006 0.000 1.053 162 I CA 1.305 62.602 61.300 -0.005 0.000 1.313 162 I CB -0.680 37.318 38.000 -0.003 0.000 1.039 162 I HN 0.255 nan 8.210 nan 0.000 0.396 163 A N 0.590 123.407 122.820 -0.004 0.000 1.915 163 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 163 A C 2.178 179.759 177.584 -0.005 0.000 1.198 163 A CA 2.329 54.364 52.037 -0.004 0.000 0.647 163 A CB -0.902 18.097 19.000 -0.002 0.000 0.825 163 A HN 0.559 nan 8.150 nan 0.000 0.456 164 E N -0.654 119.543 120.200 -0.004 0.000 2.153 164 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 164 E C 2.307 178.903 176.600 -0.007 0.000 0.988 164 E CA 0.825 57.222 56.400 -0.005 0.000 0.811 164 E CB -0.269 29.429 29.700 -0.004 0.000 0.746 164 E HN 0.678 nan 8.360 nan 0.000 0.466 165 A N 1.299 124.114 122.820 -0.008 0.000 1.854 165 A HA -0.136 4.184 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 1.088 53.119 52.037 -0.011 0.000 0.611 165 A CB -0.403 18.589 19.000 -0.014 0.000 0.832 165 A HN 0.100 nan 8.150 nan 0.000 0.442 166 M N -0.800 118.792 119.600 -0.013 0.000 2.213 166 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 166 M C 1.358 177.652 176.300 -0.010 0.000 1.062 166 M CA 1.747 57.039 55.300 -0.013 0.000 1.105 166 M CB -0.591 32.002 32.600 -0.012 0.000 1.385 166 M HN 0.363 nan 8.290 nan 0.000 0.417 167 D N 0.266 120.661 120.400 -0.008 0.000 2.378 167 D HA -0.057 4.583 4.640 -0.000 0.000 0.227 167 D C 1.769 178.065 176.300 -0.007 0.000 1.012 167 D CA 0.737 54.733 54.000 -0.006 0.000 0.905 167 D CB 0.308 41.105 40.800 -0.005 0.000 0.895 167 D HN 0.036 nan 8.370 nan 0.000 0.532 168 K N -0.667 119.728 120.400 -0.008 0.000 2.399 168 K HA 0.118 4.438 4.320 -0.000 0.000 0.196 168 K C 0.835 177.430 176.600 -0.009 0.000 1.103 168 K CA 0.433 56.715 56.287 -0.008 0.000 0.986 168 K CB 1.575 34.070 32.500 -0.008 0.000 0.952 168 K HN 0.151 nan 8.250 nan 0.000 0.541 169 V N -3.028 116.879 119.914 -0.010 0.000 3.261 169 V HA 0.436 4.556 4.120 -0.000 0.000 0.330 169 V C 0.255 176.342 176.094 -0.011 0.000 1.461 169 V CA -0.200 62.093 62.300 -0.011 0.000 1.127 169 V CB 0.089 31.904 31.823 -0.014 0.000 1.044 169 V HN 0.212 nan 8.190 nan 0.000 0.499 170 G N 2.563 111.357 108.800 -0.010 0.000 2.797 170 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 170 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 170 G C 0.286 175.179 174.900 -0.012 0.000 1.452 170 G CA 0.019 45.113 45.100 -0.010 0.000 0.986 170 G HN 0.797 nan 8.290 nan 0.000 0.595 171 K N 0.389 120.782 120.400 -0.011 0.000 2.589 171 K HA -0.041 4.279 4.320 -0.000 0.000 0.195 171 K C 0.647 177.238 176.600 -0.015 0.000 1.040 171 K CA 1.431 57.710 56.287 -0.013 0.000 0.950 171 K CB 0.360 32.854 32.500 -0.009 0.000 0.781 171 K HN 0.529 nan 8.250 nan 0.000 0.486 172 E N 1.062 121.253 120.200 -0.014 0.000 2.624 172 E HA 0.122 4.472 4.350 -0.000 0.000 0.210 172 E C 0.445 177.035 176.600 -0.017 0.000 0.997 172 E CA -0.094 56.297 56.400 -0.014 0.000 0.999 172 E CB 1.164 30.859 29.700 -0.010 0.000 1.040 172 E HN 0.411 nan 8.360 nan 0.000 0.469 173 G N 0.439 109.227 108.800 -0.020 0.000 2.568 173 G HA2 0.430 4.390 3.960 -0.000 0.000 0.293 173 G HA3 0.430 4.390 3.960 -0.000 0.000 0.293 173 G C -0.043 174.838 174.900 -0.031 0.000 1.347 173 G CA -0.433 44.654 45.100 -0.021 0.000 1.039 173 G HN -0.036 nan 8.290 nan 0.000 0.523 174 V N 0.013 119.909 119.914 -0.030 0.000 2.509 174 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 174 V C -0.095 175.975 176.094 -0.041 0.000 1.047 174 V CA -0.351 61.925 62.300 -0.040 0.000 0.952 174 V CB 0.902 32.703 31.823 -0.035 0.000 0.988 174 V HN 0.483 nan 8.190 nan 0.000 0.469 175 I N 3.076 123.615 120.570 -0.053 0.000 2.571 175 I HA 0.519 4.689 4.170 -0.000 0.000 0.289 175 I C -0.402 175.684 176.117 -0.051 0.000 1.115 175 I CA -0.149 61.122 61.300 -0.048 0.000 1.045 175 I CB 2.514 40.484 38.000 -0.050 0.000 1.238 175 I HN 0.618 nan 8.210 nan 0.000 0.424 176 T N 4.571 119.103 114.554 -0.037 0.000 2.907 176 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 176 T C -0.519 174.169 174.700 -0.020 0.000 1.043 176 T CA -0.715 61.367 62.100 -0.031 0.000 1.003 176 T CB 2.473 71.323 68.868 -0.030 0.000 1.084 176 T HN 0.381 nan 8.240 nan 0.000 0.483 177 V N 0.150 120.057 119.914 -0.012 0.000 2.378 177 V HA 0.642 4.762 4.120 -0.000 0.000 0.288 177 V C -0.169 175.923 176.094 -0.002 0.000 1.016 177 V CA -0.812 61.486 62.300 -0.004 0.000 0.840 177 V CB 0.997 32.822 31.823 0.004 0.000 0.994 177 V HN 0.864 nan 8.190 nan 0.000 0.431 178 E N 2.561 122.759 120.200 -0.004 0.000 2.961 178 E HA 0.424 4.774 4.350 -0.000 0.000 0.254 178 E C -0.930 175.670 176.600 -0.000 0.000 1.192 178 E CA -0.938 55.461 56.400 -0.003 0.000 1.069 178 E CB 0.825 30.521 29.700 -0.006 0.000 1.338 178 E HN 0.764 nan 8.360 nan 0.000 0.596 179 D N -0.100 120.299 120.400 -0.000 0.000 2.277 179 D HA 0.280 4.920 4.640 -0.000 0.000 0.250 179 D C -0.124 176.176 176.300 -0.000 0.000 1.032 179 D CA -0.214 53.786 54.000 0.001 0.000 0.947 179 D CB 1.471 42.272 40.800 0.002 0.000 1.159 179 D HN 0.440 nan 8.370 nan 0.000 0.460 180 G N -0.903 107.897 108.800 0.001 0.000 2.572 180 G HA2 0.285 4.245 3.960 -0.000 0.000 0.261 180 G HA3 0.285 4.245 3.960 -0.000 0.000 0.261 180 G C 0.823 175.723 174.900 -0.001 0.000 1.197 180 G CA -0.302 44.797 45.100 -0.000 0.000 0.870 180 G HN 0.451 nan 8.290 nan 0.000 0.548 181 T N -2.832 111.721 114.554 -0.001 0.000 3.069 181 T HA 0.473 4.823 4.350 -0.000 0.000 0.252 181 T C 0.960 175.660 174.700 -0.001 0.000 1.053 181 T CA 0.517 62.616 62.100 -0.002 0.000 0.964 181 T CB 0.358 69.225 68.868 -0.003 0.000 1.005 181 T HN 2.009 nan 8.240 nan 0.000 0.532 182 G N 2.016 110.816 108.800 -0.000 0.000 2.314 182 G HA2 0.304 4.264 3.960 -0.000 0.000 0.286 182 G HA3 0.304 4.264 3.960 -0.000 0.000 0.286 182 G C -0.569 174.331 174.900 -0.000 0.000 1.270 182 G CA -0.617 44.483 45.100 -0.000 0.000 1.277 182 G HN 0.625 nan 8.290 nan 0.000 0.635 183 L N -0.031 121.192 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.356 183 L C 0.463 177.333 176.870 -0.000 0.000 1.007 183 L CA 2.315 57.155 54.840 0.000 0.000 1.222 183 L CB -0.302 41.758 42.059 0.000 0.000 0.016 183 L HN 1.784 nan 8.230 nan 0.000 0.101 184 Q N 1.576 121.376 119.800 -0.000 0.000 2.486 184 Q HA -0.122 4.218 4.340 -0.000 0.000 0.277 184 Q C -0.617 175.383 176.000 -0.001 0.000 1.324 184 Q CA 1.019 56.821 55.803 -0.000 0.000 0.738 184 Q CB -0.575 28.163 28.738 -0.001 0.000 0.849 184 Q HN 0.600 nan 8.270 nan 0.000 0.311 185 D N 3.340 123.740 120.400 -0.001 0.000 2.455 185 D HA 0.039 4.679 4.640 -0.000 0.000 0.241 185 D C 0.311 176.610 176.300 -0.002 0.000 1.138 185 D CA 0.762 54.761 54.000 -0.001 0.000 0.877 185 D CB 0.723 41.522 40.800 -0.001 0.000 1.187 185 D HN 0.308 nan 8.370 nan 0.000 0.451 186 E N 0.287 120.485 120.200 -0.003 0.000 2.221 186 E HA 0.602 4.952 4.350 -0.000 0.000 0.268 186 E C -0.903 175.694 176.600 -0.005 0.000 0.933 186 E CA -0.994 55.404 56.400 -0.004 0.000 0.809 186 E CB 2.281 31.979 29.700 -0.004 0.000 1.190 186 E HN 0.127 nan 8.360 nan 0.000 0.406 187 L N 2.733 123.953 121.223 -0.005 0.000 2.588 187 L HA 0.410 4.750 4.340 -0.000 0.000 0.263 187 L C -2.201 174.665 176.870 -0.006 0.000 0.935 187 L CA -0.257 54.579 54.840 -0.006 0.000 0.891 187 L CB 1.769 43.824 42.059 -0.006 0.000 1.318 187 L HN 0.606 nan 8.230 nan 0.000 0.409 188 D N 3.492 123.888 120.400 -0.008 0.000 2.622 188 D HA 0.451 5.091 4.640 -0.000 0.000 0.255 188 D C -1.338 174.957 176.300 -0.009 0.000 1.246 188 D CA -0.421 53.575 54.000 -0.008 0.000 0.795 188 D CB 2.085 42.881 40.800 -0.007 0.000 1.369 188 D HN 0.309 nan 8.370 nan 0.000 0.425 189 V N 0.209 120.118 119.914 -0.008 0.000 2.472 189 V HA 0.604 4.724 4.120 -0.000 0.000 0.290 189 V C 0.331 176.420 176.094 -0.008 0.000 1.037 189 V CA -0.653 61.642 62.300 -0.009 0.000 0.908 189 V CB 1.342 33.160 31.823 -0.008 0.000 0.985 189 V HN 0.612 nan 8.190 nan 0.000 0.454 190 V N 1.110 121.019 119.914 -0.009 0.000 2.962 190 V HA 0.650 4.770 4.120 -0.000 0.000 0.313 190 V C -0.361 175.729 176.094 -0.006 0.000 1.099 190 V CA -1.012 61.283 62.300 -0.008 0.000 0.971 190 V CB 2.176 33.993 31.823 -0.010 0.000 1.028 190 V HN 0.716 nan 8.190 nan 0.000 0.430 191 E N 2.443 122.641 120.200 -0.004 0.000 2.341 191 E HA 0.472 4.822 4.350 -0.000 0.000 0.256 191 E C 0.353 176.954 176.600 0.002 0.000 1.125 191 E CA 0.832 57.232 56.400 -0.000 0.000 0.939 191 E CB 0.762 30.463 29.700 0.002 0.000 0.991 191 E HN 1.099 nan 8.360 nan 0.000 0.458 192 G N 1.672 110.474 108.800 0.003 0.000 2.911 192 G HA2 0.747 4.707 3.960 -0.000 0.000 0.299 192 G HA3 0.747 4.707 3.960 -0.000 0.000 0.299 192 G C -0.920 173.990 174.900 0.017 0.000 1.283 192 G CA -0.545 44.558 45.100 0.006 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.917 118.693 119.600 0.017 0.000 2.895 193 M HA 0.524 5.004 4.480 -0.000 0.000 0.271 193 M C -2.471 173.833 176.300 0.006 0.000 1.174 193 M CA -0.624 54.700 55.300 0.041 0.000 0.816 193 M CB 2.348 35.008 32.600 0.101 0.000 1.647 193 M HN 0.634 nan 8.290 nan 0.000 0.506 194 Q N 2.703 122.517 119.800 0.023 0.000 2.280 194 Q HA 0.545 4.885 4.340 -0.000 0.000 0.259 194 Q C -2.256 173.751 176.000 0.012 0.000 0.964 194 Q CA -0.517 55.230 55.803 -0.093 0.000 0.844 194 Q CB 1.855 30.537 28.738 -0.095 0.000 1.334 194 Q HN 0.582 nan 8.270 nan 0.000 0.423 195 F N -0.012 119.931 119.950 -0.013 0.000 2.579 195 F HA 0.545 5.072 4.527 -0.000 0.000 0.324 195 F C 0.108 175.901 175.800 -0.011 0.000 1.058 195 F CA -1.136 56.858 58.000 -0.009 0.000 0.944 195 F CB 0.980 39.978 39.000 -0.004 0.000 1.245 195 F HN 0.285 nan 8.300 nan 0.000 0.477 196 D N 2.464 122.996 120.400 0.220 0.000 2.982 196 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 196 D C -0.167 176.213 176.300 0.134 0.000 1.168 196 D CA 0.337 54.405 54.000 0.113 0.000 0.947 196 D CB -0.039 40.813 40.800 0.087 0.000 1.147 196 D HN 0.245 nan 8.370 nan 0.000 0.450 197 R N -0.022 120.581 120.500 0.172 0.000 2.670 197 R HA 0.594 4.934 4.340 -0.000 0.000 0.289 197 R C 0.368 176.675 176.300 0.012 0.000 0.965 197 R CA -0.715 55.478 56.100 0.155 0.000 0.899 197 R CB 2.188 32.697 30.300 0.347 0.000 1.173 197 R HN 0.103 nan 8.270 nan 0.000 0.456 198 G N 0.858 109.633 108.800 -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 -0.757 174.102 174.900 -0.069 0.000 1.259 198 G CA -0.562 44.428 45.100 -0.184 0.000 1.019 198 G HN 0.434 nan 8.290 nan 0.000 0.496 199 Y N -0.826 119.495 120.300 0.035 0.000 2.550 199 Y HA 0.280 4.830 4.550 -0.000 0.000 0.343 199 Y C 1.345 177.309 175.900 0.105 0.000 1.245 199 Y CA -1.051 57.082 58.100 0.054 0.000 1.462 199 Y CB 0.191 38.722 38.460 0.118 0.000 1.340 199 Y HN 0.213 nan 8.280 nan 0.000 0.604 200 L N 1.259 122.727 121.223 0.409 0.000 2.240 200 L HA 0.054 4.394 4.340 -0.000 0.000 0.211 200 L C 0.528 177.608 176.870 0.349 0.000 1.106 200 L CA 1.181 56.224 54.840 0.338 0.000 0.793 200 L CB -0.445 41.782 42.059 0.280 0.000 0.927 200 L HN 0.836 nan 8.230 nan 0.000 0.446 201 S N -3.067 112.864 115.700 0.384 0.000 2.537 201 S HA 0.489 4.959 4.470 -0.000 0.000 0.271 201 S C -2.745 171.695 174.600 -0.267 0.000 1.148 201 S CA -1.206 57.036 58.200 0.070 0.000 0.868 201 S CB 2.090 65.313 63.200 0.039 0.000 1.115 201 S HN -0.285 nan 8.310 nan 0.000 0.461 202 P HA 0.203 nan 4.420 nan 0.000 0.317 202 P C 0.255 177.231 177.300 -0.540 0.000 1.427 202 P CA 0.563 63.167 63.100 -0.826 0.000 0.820 202 P CB -0.155 31.068 31.700 -0.794 0.000 1.894 203 Y N -4.543 115.577 120.300 -0.299 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.959 177.730 175.900 -0.215 0.000 1.055 203 Y CA 1.478 59.415 58.100 -0.272 0.000 2.997 203 Y CB -3.168 35.076 38.460 -0.360 0.000 0.837 203 Y HN 0.081 nan 8.280 nan 0.000 0.553 204 F N 0.451 120.410 119.950 0.015 0.000 2.236 204 F HA -0.119 4.408 4.527 -0.000 0.000 0.302 204 F C 1.502 177.303 175.800 0.002 0.000 1.073 204 F CA 0.960 58.968 58.000 0.013 0.000 1.336 204 F CB -0.745 38.260 39.000 0.007 0.000 1.040 204 F HN -0.014 nan 8.300 nan 0.000 0.507 205 I N 2.503 123.144 120.570 0.118 0.000 2.943 205 I HA -0.226 3.944 4.170 -0.000 0.000 0.296 205 I C 0.755 176.919 176.117 0.078 0.000 1.220 205 I CA 0.528 61.870 61.300 0.070 0.000 1.409 205 I CB -0.121 37.870 38.000 -0.015 0.000 1.374 205 I HN 0.239 nan 8.210 nan 0.000 0.545 206 N N 4.856 123.606 118.700 0.082 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.026 175.515 175.510 0.051 0.000 1.151 206 N CA -0.128 52.962 53.050 0.066 0.000 0.878 206 N CB 0.475 39.003 38.487 0.069 0.000 1.014 206 N HN 0.488 nan 8.380 nan 0.000 0.512 207 K N 1.130 121.561 120.400 0.052 0.000 2.842 207 K HA 0.245 4.565 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 -1.556 54.756 56.287 0.042 0.000 0.954 207 K CB 1.884 34.409 32.500 0.041 0.000 1.203 207 K HN -0.002 nan 8.250 nan 0.000 0.611 208 P HA -0.177 nan 4.420 nan 0.000 0.231 208 P C 0.209 177.523 177.300 0.022 0.000 1.154 208 P CA 1.104 64.219 63.100 0.025 0.000 0.762 208 P CB 0.503 32.215 31.700 0.019 0.000 0.790 209 E N -0.146 120.068 120.200 0.023 0.000 2.016 209 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 209 E C 2.064 178.675 176.600 0.018 0.000 0.985 209 E CA 1.704 58.114 56.400 0.017 0.000 0.802 209 E CB -0.930 28.780 29.700 0.017 0.000 0.762 209 E HN 0.200 nan 8.360 nan 0.000 0.448 210 T N -1.279 113.291 114.554 0.027 0.000 2.942 210 T HA 0.111 4.461 4.350 -0.000 0.000 0.265 210 T C 1.355 176.080 174.700 0.042 0.000 1.062 210 T CA 0.900 63.018 62.100 0.030 0.000 1.139 210 T CB 0.016 68.908 68.868 0.041 0.000 0.883 210 T HN 0.420 nan 8.240 nan 0.000 0.468 211 G N 1.081 109.914 108.800 0.055 0.000 2.130 211 G HA2 0.102 4.062 3.960 -0.000 0.000 0.216 211 G HA3 0.102 4.062 3.960 -0.000 0.000 0.216 211 G C 0.041 175.031 174.900 0.150 0.000 0.999 211 G CA -0.047 45.102 45.100 0.082 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.545 121.352 122.820 0.128 0.000 2.486 212 A HA 0.991 5.311 4.320 -0.000 0.000 0.277 212 A C -0.264 177.403 177.584 0.138 0.000 1.282 212 A CA -0.131 52.008 52.037 0.170 0.000 0.784 212 A CB 1.630 20.695 19.000 0.109 0.000 1.350 212 A HN 1.247 nan 8.150 nan 0.000 0.454 213 V N 0.190 120.188 119.914 0.141 0.000 2.769 213 V HA 0.671 4.791 4.120 -0.000 0.000 0.312 213 V C -0.330 175.802 176.094 0.063 0.000 1.058 213 V CA -0.430 61.935 62.300 0.109 0.000 0.952 213 V CB 1.649 33.550 31.823 0.130 0.000 1.019 213 V HN 0.911 nan 8.190 nan 0.000 0.445 214 E N 2.706 122.937 120.200 0.051 0.000 2.287 214 E HA 0.615 4.965 4.350 -0.000 0.000 0.274 214 E C -2.029 174.586 176.600 0.025 0.000 0.896 214 E CA -0.534 55.883 56.400 0.029 0.000 0.788 214 E CB 1.692 31.408 29.700 0.026 0.000 1.244 214 E HN 0.623 nan 8.360 nan 0.000 0.408 215 L N 3.406 124.635 121.223 0.011 0.000 2.381 215 L HA 0.521 4.861 4.340 -0.000 0.000 0.274 215 L C -0.433 176.431 176.870 -0.011 0.000 0.988 215 L CA -0.875 53.969 54.840 0.007 0.000 0.824 215 L CB 2.002 44.066 42.059 0.008 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.504 121.695 120.200 -0.015 0.000 2.156 216 E HA 0.301 4.651 4.350 -0.000 0.000 0.279 216 E C -0.156 176.409 176.600 -0.058 0.000 0.965 216 E CA -0.535 55.847 56.400 -0.031 0.000 0.789 216 E CB 1.566 31.254 29.700 -0.021 0.000 1.098 216 E HN 0.635 nan 8.360 nan 0.000 0.397 217 S N 1.730 117.381 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.034 172.435 174.600 -0.218 0.000 1.023 217 S CA 0.401 58.517 58.200 -0.140 0.000 1.114 217 S CB -1.328 61.793 63.200 -0.132 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.549 nan 4.420 nan 0.000 0.279 218 P C -0.117 177.052 177.300 -0.218 0.000 1.276 218 P CA -0.595 62.417 63.100 -0.147 0.000 0.801 218 P CB 0.541 32.223 31.700 -0.030 0.000 1.127 219 F N -0.539 119.418 119.950 0.011 0.000 2.432 219 F HA 0.482 5.009 4.527 -0.000 0.000 0.329 219 F C 0.731 176.539 175.800 0.012 0.000 1.076 219 F CA -0.461 57.546 58.000 0.012 0.000 1.018 219 F CB 0.920 39.927 39.000 0.012 0.000 1.201 219 F HN 0.047 nan 8.300 nan 0.000 0.489 220 I N 3.083 123.796 120.570 0.238 0.000 2.608 220 I HA 0.386 4.556 4.170 -0.000 0.000 0.295 220 I C -1.442 174.739 176.117 0.106 0.000 1.049 220 I CA -1.110 60.270 61.300 0.134 0.000 1.063 220 I CB 2.089 40.150 38.000 0.101 0.000 1.248 220 I HN 0.230 nan 8.210 nan 0.000 0.424 221 L N 6.899 128.164 121.223 0.071 0.000 2.280 221 L HA 0.524 4.864 4.340 -0.000 0.000 0.287 221 L C -1.080 175.810 176.870 0.033 0.000 1.023 221 L CA -0.189 54.677 54.840 0.044 0.000 0.819 221 L CB 0.957 43.035 42.059 0.032 0.000 1.212 221 L HN 0.474 nan 8.230 nan 0.000 0.420 222 L N 6.122 127.359 121.223 0.024 0.000 2.301 222 L HA 0.797 5.137 4.340 -0.000 0.000 0.278 222 L C -0.282 176.590 176.870 0.004 0.000 1.022 222 L CA -0.429 54.418 54.840 0.011 0.000 0.854 222 L CB 1.185 43.250 42.059 0.010 0.000 1.226 222 L HN 0.775 nan 8.230 nan 0.000 0.429 223 A N 1.840 124.661 122.820 0.002 0.000 2.381 223 A HA 0.443 4.763 4.320 -0.000 0.000 0.299 223 A C -1.065 176.518 177.584 -0.001 0.000 1.049 223 A CA -0.586 51.452 52.037 0.001 0.000 0.715 223 A CB 1.475 20.478 19.000 0.006 0.000 1.222 223 A HN 0.644 nan 8.150 nan 0.000 0.428 224 D N 2.508 122.906 120.400 -0.003 0.000 2.422 224 D HA 0.487 5.127 4.640 -0.000 0.000 0.227 224 D C -0.046 176.256 176.300 0.004 0.000 1.190 224 D CA 0.409 54.407 54.000 -0.003 0.000 0.905 224 D CB -0.282 40.514 40.800 -0.007 0.000 1.034 224 D HN 0.700 nan 8.370 nan 0.000 0.507 225 K N 0.725 121.130 120.400 0.009 0.000 3.663 225 K HA 0.137 4.457 4.320 -0.000 0.000 0.413 225 K C -1.398 175.213 176.600 0.018 0.000 1.089 225 K CA -1.136 55.159 56.287 0.014 0.000 0.860 225 K CB 0.265 32.772 32.500 0.012 0.000 1.492 225 K HN 0.020 nan 8.250 nan 0.000 0.517 226 K N 0.851 121.263 120.400 0.021 0.000 2.118 226 K HA 0.512 4.832 4.320 -0.000 0.000 0.264 226 K C -0.505 176.110 176.600 0.025 0.000 1.000 226 K CA -0.626 55.676 56.287 0.025 0.000 0.929 226 K CB 0.881 33.396 32.500 0.026 0.000 1.021 226 K HN 0.377 nan 8.250 nan 0.000 0.463 227 I N 1.653 122.242 120.570 0.031 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.160 176.299 176.117 0.035 0.000 1.023 227 I CA -0.104 61.214 61.300 0.031 0.000 1.100 227 I CB 1.917 39.937 38.000 0.034 0.000 1.238 227 I HN 0.625 nan 8.210 nan 0.000 0.445 228 S N 2.828 118.546 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.718 175.334 174.600 0.027 0.000 1.078 228 S CA -0.127 58.091 58.200 0.030 0.000 0.867 228 S CB 0.290 63.505 63.200 0.026 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.933 121.646 118.700 0.022 0.000 2.402 229 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 229 N C 0.685 176.207 175.510 0.020 0.000 1.167 229 N CA 0.023 53.084 53.050 0.018 0.000 0.949 229 N CB 0.830 39.326 38.487 0.014 0.000 1.212 229 N HN 0.339 nan 8.380 nan 0.000 0.493 230 I N 3.220 123.803 120.570 0.021 0.000 2.399 230 I HA -0.300 3.870 4.170 -0.000 0.000 0.254 230 I C 1.898 178.025 176.117 0.016 0.000 1.146 230 I CA 1.199 62.512 61.300 0.022 0.000 1.412 230 I CB 0.204 38.217 38.000 0.023 0.000 1.076 230 I HN 0.428 nan 8.210 nan 0.000 0.432 231 R N 0.823 121.330 120.500 0.013 0.000 2.119 231 R HA -0.240 4.100 4.340 -0.000 0.000 0.246 231 R C 1.942 178.246 176.300 0.007 0.000 1.146 231 R CA 2.147 58.252 56.100 0.009 0.000 0.962 231 R CB -0.470 29.834 30.300 0.007 0.000 0.863 231 R HN 0.574 nan 8.270 nan 0.000 0.442 232 E N -0.175 120.030 120.200 0.009 0.000 2.265 232 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 232 E C 1.902 178.505 176.600 0.005 0.000 0.996 232 E CA 0.848 57.252 56.400 0.007 0.000 0.832 232 E CB 0.025 29.730 29.700 0.009 0.000 0.756 232 E HN 0.269 nan 8.360 nan 0.000 0.491 233 M N 0.214 119.820 119.600 0.009 0.000 2.115 233 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 233 M C 2.402 178.703 176.300 0.001 0.000 1.079 233 M CA 1.093 56.398 55.300 0.008 0.000 1.143 233 M CB -1.038 31.573 32.600 0.018 0.000 1.332 233 M HN 0.140 nan 8.290 nan 0.000 0.421 234 L N 0.616 121.841 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.439 176.426 176.870 -0.009 0.000 1.106 234 L CA 2.066 56.906 54.840 -0.001 0.000 0.827 234 L CB -2.859 39.201 42.059 0.001 0.000 0.915 234 L HN 0.219 nan 8.230 nan 0.000 0.448 235 P HA -0.111 nan 4.420 nan 0.000 0.226 235 P C 1.385 178.666 177.300 -0.031 0.000 1.146 235 P CA 1.373 64.461 63.100 -0.019 0.000 0.773 235 P CB 0.202 31.892 31.700 -0.016 0.000 0.772 236 V N -1.304 118.591 119.914 -0.032 0.000 3.359 236 V HA 0.068 4.188 4.120 -0.000 0.000 0.245 236 V C 2.455 178.519 176.094 -0.050 0.000 1.247 236 V CA 0.243 62.511 62.300 -0.053 0.000 1.145 236 V CB -0.517 31.278 31.823 -0.048 0.000 0.906 236 V HN -0.044 nan 8.190 nan 0.000 0.464 237 L N 0.279 121.489 121.223 -0.022 0.000 2.456 237 L HA -0.075 4.265 4.340 -0.000 0.000 0.224 237 L C 2.228 179.092 176.870 -0.009 0.000 1.148 237 L CA 1.472 56.308 54.840 -0.007 0.000 0.825 237 L CB -0.186 41.880 42.059 0.010 0.000 0.937 237 L HN 0.469 nan 8.230 nan 0.000 0.450 238 E N -0.480 119.709 120.200 -0.019 0.000 2.251 238 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 238 E C 2.133 178.715 176.600 -0.031 0.000 0.964 238 E CA 0.620 57.010 56.400 -0.016 0.000 0.868 238 E CB 0.138 29.830 29.700 -0.013 0.000 0.828 238 E HN 0.389 nan 8.360 nan 0.000 0.481 239 A N 0.964 123.750 122.820 -0.056 0.000 2.168 239 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 239 A C 1.994 179.505 177.584 -0.121 0.000 1.152 239 A CA 0.662 52.649 52.037 -0.084 0.000 0.716 239 A CB 0.085 19.020 19.000 -0.108 0.000 0.794 239 A HN 0.079 nan 8.150 nan 0.000 0.465 240 V N -1.254 118.601 119.914 -0.099 0.000 3.621 240 V HA 0.140 4.260 4.120 -0.000 0.000 0.285 240 V C 2.328 178.434 176.094 0.019 0.000 1.346 240 V CA 0.834 63.087 62.300 -0.079 0.000 1.104 240 V CB 0.032 31.812 31.823 -0.072 0.000 0.913 240 V HN 0.534 nan 8.190 nan 0.000 0.432 241 A N -0.270 122.557 122.820 0.011 0.000 1.975 241 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 241 A C 1.452 179.059 177.584 0.037 0.000 1.170 241 A CA 0.717 52.771 52.037 0.029 0.000 0.656 241 A CB 0.020 19.030 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.145 118.270 120.400 0.025 0.000 2.118 242 K HA 0.426 4.746 4.320 -0.000 0.000 0.240 242 K C 1.080 177.723 176.600 0.071 0.000 1.035 242 K CA 0.303 56.610 56.287 0.034 0.000 0.899 242 K CB 0.281 32.790 32.500 0.015 0.000 1.085 242 K HN 0.604 nan 8.250 nan 0.000 0.498 243 A N 0.273 123.141 122.820 0.081 0.000 4.115 243 A HA -0.243 4.077 4.320 -0.000 0.000 0.268 243 A C 1.203 178.861 177.584 0.124 0.000 0.917 243 A CA 1.808 53.921 52.037 0.126 0.000 1.090 243 A CB -2.442 16.694 19.000 0.226 0.000 1.067 243 A HN 1.389 nan 8.150 nan 0.000 0.828 244 G N -1.242 107.620 108.800 0.104 0.000 2.321 244 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.287 244 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.287 244 G C -0.016 174.940 174.900 0.094 0.000 1.018 244 G CA 1.515 46.666 45.100 0.085 0.000 0.855 244 G HN 1.163 nan 8.290 nan 0.000 0.507 245 K N 0.696 121.190 120.400 0.157 0.000 2.203 245 K HA 0.522 4.842 4.320 -0.000 0.000 0.251 245 K C -2.017 174.687 176.600 0.172 0.000 0.944 245 K CA -2.001 54.362 56.287 0.125 0.000 0.829 245 K CB 2.359 34.886 32.500 0.044 0.000 1.125 245 K HN 0.068 nan 8.250 nan 0.000 0.430 246 P HA 0.124 nan 4.420 nan 0.000 0.275 246 P C -1.134 176.259 177.300 0.154 0.000 1.266 246 P CA -0.527 62.639 63.100 0.110 0.000 0.793 246 P CB 0.651 32.391 31.700 0.068 0.000 1.074 247 L N 0.366 121.664 121.223 0.125 0.000 2.401 247 L HA 0.557 4.897 4.340 -0.000 0.000 0.266 247 L C -1.401 175.508 176.870 0.066 0.000 0.991 247 L CA -1.027 53.891 54.840 0.131 0.000 0.818 247 L CB 1.679 43.809 42.059 0.120 0.000 1.321 247 L HN 0.174 nan 8.230 nan 0.000 0.413 248 L N 5.215 126.477 121.223 0.065 0.000 2.322 248 L HA 0.658 4.998 4.340 -0.000 0.000 0.281 248 L C -1.196 175.691 176.870 0.028 0.000 1.014 248 L CA -0.222 54.630 54.840 0.021 0.000 0.815 248 L CB 1.414 43.492 42.059 0.033 0.000 1.247 248 L HN 0.428 nan 8.230 nan 0.000 0.421 249 I N 6.816 127.384 120.570 -0.004 0.000 2.362 249 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 249 I C -0.379 175.753 176.117 0.025 0.000 0.994 249 I CA -0.282 61.025 61.300 0.012 0.000 1.158 249 I CB 1.224 39.226 38.000 0.005 0.000 1.315 249 I HN 0.533 nan 8.210 nan 0.000 0.451 250 I N 5.737 126.328 120.570 0.035 0.000 2.439 250 I HA 0.678 4.848 4.170 -0.000 0.000 0.283 250 I C -0.036 176.087 176.117 0.010 0.000 1.023 250 I CA -0.243 61.076 61.300 0.031 0.000 1.100 250 I CB 1.779 39.799 38.000 0.033 0.000 1.238 250 I HN 0.708 nan 8.210 nan 0.000 0.445 251 A N 4.325 127.151 122.820 0.011 0.000 2.588 251 A HA 0.424 4.744 4.320 -0.000 0.000 0.290 251 A C 0.614 178.205 177.584 0.011 0.000 1.136 251 A CA -0.540 51.502 52.037 0.008 0.000 0.681 251 A CB 1.404 20.414 19.000 0.017 0.000 1.282 251 A HN 0.713 nan 8.150 nan 0.000 0.421 252 E N -0.570 119.637 120.200 0.013 0.000 2.147 252 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 252 E C 0.133 176.752 176.600 0.031 0.000 1.005 252 E CA 2.144 58.557 56.400 0.021 0.000 0.810 252 E CB 0.071 29.785 29.700 0.023 0.000 0.736 252 E HN 0.642 nan 8.360 nan 0.000 0.460 253 D N -3.107 117.314 120.400 0.034 0.000 2.940 253 D HA 0.118 4.758 4.640 -0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.049 0.000 1.255 253 D CA -0.376 53.651 54.000 0.045 0.000 0.734 253 D CB 1.035 41.861 40.800 0.044 0.000 1.261 253 D HN -0.134 nan 8.370 nan 0.000 0.436 254 V N 1.506 121.456 119.914 0.061 0.000 2.610 254 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 254 V C -0.567 175.569 176.094 0.071 0.000 1.067 254 V CA -0.682 61.659 62.300 0.067 0.000 0.894 254 V CB 1.598 33.473 31.823 0.085 0.000 1.015 254 V HN 0.445 nan 8.190 nan 0.000 0.432 255 E N 2.394 122.628 120.200 0.057 0.000 2.250 255 E HA 0.469 4.819 4.350 -0.000 0.000 0.269 255 E C 1.414 178.044 176.600 0.051 0.000 1.018 255 E CA -0.150 56.282 56.400 0.052 0.000 0.873 255 E CB 1.662 31.386 29.700 0.040 0.000 1.134 255 E HN 0.777 nan 8.360 nan 0.000 0.403 256 G N 1.659 110.487 108.800 0.047 0.000 3.437 256 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G C 1.215 176.137 174.900 0.036 0.000 1.054 256 G CA 1.676 46.800 45.100 0.040 0.000 0.704 256 G HN 0.541 nan 8.290 nan 0.000 0.713 257 E N 0.704 120.925 120.200 0.034 0.000 2.002 257 E HA 0.145 4.495 4.350 -0.000 0.000 0.196 257 E C 2.935 179.556 176.600 0.036 0.000 0.974 257 E CA 0.938 57.356 56.400 0.029 0.000 0.853 257 E CB -0.860 28.856 29.700 0.025 0.000 0.808 257 E HN 0.331 nan 8.360 nan 0.000 0.492 258 A N 1.014 123.858 122.820 0.041 0.000 2.234 258 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 258 A C 2.071 179.699 177.584 0.073 0.000 1.167 258 A CA 1.142 53.209 52.037 0.050 0.000 0.698 258 A CB -0.469 18.560 19.000 0.049 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.597 120.673 121.223 0.078 0.000 2.056 259 L HA 0.207 4.547 4.340 -0.000 0.000 0.202 259 L C 2.515 179.433 176.870 0.080 0.000 1.086 259 L CA 2.112 57.018 54.840 0.109 0.000 0.758 259 L CB -1.012 41.111 42.059 0.106 0.000 0.912 259 L HN 0.224 nan 8.230 nan 0.000 0.446 260 A N -1.660 121.187 122.820 0.045 0.000 2.234 260 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 260 A C 2.060 179.642 177.584 -0.004 0.000 1.167 260 A CA 1.899 53.942 52.037 0.010 0.000 0.698 260 A CB -1.070 17.933 19.000 0.006 0.000 0.779 260 A HN 0.601 nan 8.150 nan 0.000 0.475 261 T N -0.104 114.463 114.554 0.021 0.000 2.814 261 T HA 0.055 4.405 4.350 -0.000 0.000 0.254 261 T C 1.753 176.469 174.700 0.027 0.000 1.037 261 T CA 1.173 63.285 62.100 0.019 0.000 1.143 261 T CB -0.238 68.648 68.868 0.031 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.101 122.366 121.223 0.070 0.000 2.156 262 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 262 L C 2.525 179.429 176.870 0.058 0.000 1.095 262 L CA 0.578 55.488 54.840 0.116 0.000 0.770 262 L CB -0.711 41.483 42.059 0.226 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.432 119.458 119.914 -0.041 0.000 2.688 263 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 263 V C 2.138 178.105 176.094 -0.211 0.000 1.084 263 V CA 1.310 63.461 62.300 -0.248 0.000 1.103 263 V CB -0.175 31.523 31.823 -0.207 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -1.005 118.838 119.914 -0.119 0.000 3.048 264 V HA -0.011 4.109 4.120 -0.000 0.000 0.241 264 V C 1.909 177.966 176.094 -0.062 0.000 1.129 264 V CA 1.097 63.328 62.300 -0.114 0.000 1.128 264 V CB -0.471 31.297 31.823 -0.093 0.000 0.849 264 V HN 0.497 nan 8.190 nan 0.000 0.475 265 N N 0.971 119.659 118.700 -0.021 0.000 2.084 265 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 265 N C 1.775 177.295 175.510 0.016 0.000 1.030 265 N CA 1.894 54.947 53.050 0.004 0.000 0.849 265 N CB -0.037 38.465 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.673 112.905 114.554 0.039 0.000 3.194 266 T HA 0.075 4.425 4.350 -0.000 0.000 0.251 266 T C 1.406 176.121 174.700 0.025 0.000 1.132 266 T CA 0.113 62.250 62.100 0.062 0.000 1.028 266 T CB 0.110 69.062 68.868 0.140 0.000 0.976 266 T HN 0.029 nan 8.240 nan 0.000 0.535 267 M N 0.688 120.274 119.600 -0.024 0.000 2.447 267 M HA 0.392 4.872 4.480 -0.000 0.000 0.266 267 M C 2.159 178.435 176.300 -0.040 0.000 1.120 267 M CA 1.060 56.324 55.300 -0.060 0.000 1.166 267 M CB 0.105 32.625 32.600 -0.133 0.000 1.349 267 M HN 0.060 nan 8.290 nan 0.000 0.463 268 R N -0.536 119.946 120.500 -0.029 0.000 2.297 268 R HA 0.288 4.628 4.340 -0.000 0.000 0.197 268 R C 0.880 177.178 176.300 -0.004 0.000 0.943 268 R CA 0.713 56.801 56.100 -0.020 0.000 1.038 268 R CB 0.076 30.364 30.300 -0.020 0.000 0.957 268 R HN 0.605 nan 8.270 nan 0.000 0.484 269 G N 1.125 109.929 108.800 0.007 0.000 2.144 269 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 269 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 269 G C 0.126 175.040 174.900 0.023 0.000 0.988 269 G CA -0.516 44.595 45.100 0.018 0.000 0.659 269 G HN 0.213 nan 8.290 nan 0.000 0.522 270 I N 1.908 122.491 120.570 0.022 0.000 2.243 270 I HA 0.384 4.554 4.170 -0.000 0.000 0.297 270 I C 0.819 176.960 176.117 0.039 0.000 1.161 270 I CA -0.761 60.554 61.300 0.025 0.000 1.298 270 I CB 0.591 38.602 38.000 0.017 0.000 1.475 270 I HN 0.100 nan 8.210 nan 0.000 0.561 271 V N 4.660 124.601 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.174 176.314 176.094 0.076 0.000 0.682 271 V CA 0.424 62.760 62.300 0.060 0.000 1.959 271 V CB -1.481 30.376 31.823 0.056 0.000 2.372 271 V HN 0.756 nan 8.190 nan 0.000 0.501 272 K N 4.028 124.477 120.400 0.083 0.000 2.368 272 K HA 0.698 5.018 4.320 -0.000 0.000 0.282 272 K C -0.177 176.493 176.600 0.116 0.000 1.035 272 K CA -0.136 56.215 56.287 0.106 0.000 0.973 272 K CB 1.358 33.915 32.500 0.095 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.636 120.644 119.914 0.157 0.000 3.159 273 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 273 V C -1.145 174.979 176.094 0.049 0.000 1.190 273 V CA -1.059 61.306 62.300 0.109 0.000 1.037 273 V CB 2.243 34.134 31.823 0.113 0.000 1.060 273 V HN 0.823 nan 8.190 nan 0.000 0.437 274 A N 1.291 123.979 122.820 -0.220 0.000 2.594 274 A HA 1.039 5.359 4.320 -0.000 0.000 0.295 274 A C -0.920 176.360 177.584 -0.507 0.000 1.071 274 A CA -0.049 51.489 52.037 -0.830 0.000 0.685 274 A CB 1.957 20.595 19.000 -0.604 0.000 1.285 274 A HN 1.964 nan 8.150 nan 0.000 0.405 275 A N 0.139 122.599 122.820 -0.599 0.000 2.498 275 A HA 0.932 5.252 4.320 -0.000 0.000 0.298 275 A C -0.674 176.859 177.584 -0.086 0.000 1.075 275 A CA -0.091 51.830 52.037 -0.194 0.000 0.714 275 A CB 1.569 20.532 19.000 -0.063 0.000 1.299 275 A HN 2.367 nan 8.150 nan 0.000 0.407 276 V N -1.384 118.540 119.914 0.016 0.000 3.048 276 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 276 V C -0.595 175.556 176.094 0.094 0.000 1.214 276 V CA -1.335 61.014 62.300 0.082 0.000 0.984 276 V CB 1.312 33.212 31.823 0.127 0.000 1.054 276 V HN 0.915 nan 8.190 nan 0.000 0.430 277 K N 2.171 122.626 120.400 0.092 0.000 2.469 277 K HA 0.501 4.821 4.320 -0.000 0.000 0.274 277 K C 0.781 177.401 176.600 0.034 0.000 0.983 277 K CA 0.530 56.855 56.287 0.064 0.000 0.974 277 K CB 0.730 33.268 32.500 0.065 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.116 126.924 122.820 -0.020 0.000 2.364 278 A HA 0.192 4.512 4.320 -0.000 0.000 0.258 278 A C -2.033 175.453 177.584 -0.162 0.000 1.131 278 A CA -0.801 51.162 52.037 -0.122 0.000 0.800 278 A CB -0.473 18.473 19.000 -0.090 0.000 1.086 278 A HN 0.541 nan 8.150 nan 0.000 0.508 279 P HA 0.397 nan 4.420 nan 0.000 0.284 279 P C 0.706 177.970 177.300 -0.060 0.000 1.253 279 P CA 1.141 64.101 63.100 -0.233 0.000 0.800 279 P CB 0.833 32.288 31.700 -0.408 0.000 0.961 280 G N 2.884 111.709 108.800 0.042 0.000 2.581 280 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.291 280 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.291 280 G C -0.515 174.544 174.900 0.265 0.000 1.277 280 G CA 0.715 45.909 45.100 0.155 0.000 0.959 280 G HN 0.775 nan 8.290 nan 0.000 0.554 281 F N -3.416 116.532 119.950 -0.003 0.000 2.877 281 F HA 0.724 5.251 4.527 -0.000 0.000 0.319 281 F C 0.916 176.722 175.800 0.010 0.000 1.174 281 F CA 0.409 58.410 58.000 0.003 0.000 0.903 281 F CB 0.717 39.725 39.000 0.013 0.000 1.357 281 F HN 2.457 nan 8.300 nan 0.000 0.472 282 G N 1.005 109.817 108.800 0.021 0.000 2.527 282 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.268 282 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.268 282 G C 0.142 174.987 174.900 -0.092 0.000 1.175 282 G CA 0.490 45.535 45.100 -0.092 0.000 0.962 282 G HN 0.911 nan 8.290 nan 0.000 0.560 283 D N 0.962 121.290 120.400 -0.120 0.000 2.271 283 D HA -0.009 4.630 4.640 -0.000 0.000 0.206 283 D C 2.534 178.776 176.300 -0.096 0.000 0.967 283 D CA 1.169 55.120 54.000 -0.080 0.000 0.867 283 D CB -0.012 40.752 40.800 -0.059 0.000 0.960 283 D HN 0.632 nan 8.370 nan 0.000 0.509 284 R N 1.152 121.564 120.500 -0.147 0.000 2.276 284 R HA 0.063 4.403 4.340 -0.000 0.000 0.203 284 R C 2.095 178.325 176.300 -0.118 0.000 1.017 284 R CA 0.366 56.386 56.100 -0.133 0.000 1.010 284 R CB -0.243 29.958 30.300 -0.166 0.000 0.900 284 R HN 0.005 nan 8.270 nan 0.000 0.469 285 R N 2.119 122.551 120.500 -0.113 0.000 2.066 285 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 285 R C 1.215 177.474 176.300 -0.068 0.000 1.131 285 R CA 1.529 57.583 56.100 -0.077 0.000 0.955 285 R CB -0.045 30.238 30.300 -0.030 0.000 0.851 285 R HN 0.226 nan 8.270 nan 0.000 0.432 286 K N -0.104 120.263 120.400 -0.055 0.000 2.442 286 K HA -0.011 4.309 4.320 -0.000 0.000 0.198 286 K C 1.679 178.251 176.600 -0.048 0.000 1.042 286 K CA 0.880 57.140 56.287 -0.044 0.000 0.958 286 K CB 0.196 32.677 32.500 -0.032 0.000 0.766 286 K HN 0.268 nan 8.250 nan 0.000 0.474 287 A N 0.918 123.703 122.820 -0.059 0.000 1.909 287 A HA 0.063 4.383 4.320 -0.000 0.000 0.209 287 A C 2.043 179.590 177.584 -0.062 0.000 1.247 287 A CA 0.244 52.248 52.037 -0.055 0.000 0.660 287 A CB -0.216 18.750 19.000 -0.056 0.000 0.910 287 A HN 0.046 nan 8.150 nan 0.000 0.465 288 M N -0.355 119.197 119.600 -0.079 0.000 2.082 288 M HA -0.193 4.287 4.480 -0.000 0.000 0.258 288 M C 2.257 178.496 176.300 -0.103 0.000 1.069 288 M CA 1.905 57.151 55.300 -0.091 0.000 1.102 288 M CB -0.515 32.015 32.600 -0.117 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.196 121.352 121.223 -0.112 0.000 2.129 289 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 289 L C 2.490 179.321 176.870 -0.065 0.000 1.087 289 L CA 1.589 56.364 54.840 -0.108 0.000 0.757 289 L CB -0.265 41.739 42.059 -0.091 0.000 0.896 289 L HN 0.321 nan 8.230 nan 0.000 0.434 290 Q N 0.011 119.780 119.800 -0.050 0.000 2.167 290 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 290 Q C 1.663 177.648 176.000 -0.025 0.000 0.970 290 Q CA 1.954 57.738 55.803 -0.032 0.000 0.855 290 Q CB -0.170 28.551 28.738 -0.028 0.000 0.911 290 Q HN 0.542 nan 8.270 nan 0.000 0.438 291 D N 0.188 120.570 120.400 -0.030 0.000 2.084 291 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 291 D C 1.881 178.178 176.300 -0.005 0.000 0.990 291 D CA 1.418 55.408 54.000 -0.017 0.000 0.826 291 D CB -0.279 40.509 40.800 -0.019 0.000 0.971 291 D HN 0.359 nan 8.370 nan 0.000 0.453 292 I N 1.318 121.881 120.570 -0.011 0.000 2.300 292 I HA -0.319 3.851 4.170 -0.000 0.000 0.252 292 I C 2.430 178.559 176.117 0.020 0.000 1.119 292 I CA 1.066 62.375 61.300 0.015 0.000 1.384 292 I CB -0.199 37.799 38.000 -0.004 0.000 1.062 292 I HN -0.056 nan 8.210 nan 0.000 0.426 293 A N 0.388 123.212 122.820 0.006 0.000 1.855 293 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 293 A C 2.373 179.966 177.584 0.015 0.000 1.191 293 A CA 2.281 54.325 52.037 0.013 0.000 0.613 293 A CB -1.066 17.936 19.000 0.004 0.000 0.829 293 A HN 0.362 nan 8.150 nan 0.000 0.442 294 T N 0.729 115.288 114.554 0.009 0.000 2.788 294 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 294 T C 1.829 176.537 174.700 0.013 0.000 1.044 294 T CA 1.262 63.368 62.100 0.009 0.000 1.139 294 T CB -0.338 68.532 68.868 0.003 0.000 0.867 294 T HN 0.293 nan 8.240 nan 0.000 0.454 295 L N 2.204 123.437 121.223 0.016 0.000 2.131 295 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 295 L C 1.843 178.727 176.870 0.024 0.000 1.092 295 L CA 2.160 57.012 54.840 0.021 0.000 0.759 295 L CB -1.242 40.834 42.059 0.029 0.000 0.903 295 L HN 0.452 nan 8.230 nan 0.000 0.435 296 T N -3.712 110.860 114.554 0.029 0.000 3.248 296 T HA 0.366 4.716 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 0.121 62.240 62.100 0.033 0.000 0.902 296 T CB -0.353 68.542 68.868 0.045 0.000 1.102 296 T HN 0.523 nan 8.240 nan 0.000 0.548 297 G N 0.202 109.020 108.800 0.030 0.000 2.393 297 G HA2 0.137 4.097 3.960 -0.000 0.000 0.299 297 G HA3 0.137 4.097 3.960 -0.000 0.000 0.299 297 G C 0.382 175.307 174.900 0.043 0.000 0.990 297 G CA 0.007 45.126 45.100 0.033 0.000 1.118 297 G HN 1.143 nan 8.290 nan 0.000 0.513 298 G N -1.559 107.263 108.800 0.037 0.000 3.135 298 G HA2 0.921 4.881 3.960 -0.000 0.000 0.278 298 G HA3 0.921 4.881 3.960 -0.000 0.000 0.278 298 G C -0.679 174.235 174.900 0.023 0.000 1.302 298 G CA 0.288 45.412 45.100 0.038 0.000 0.880 298 G HN 0.828 nan 8.290 nan 0.000 0.574 299 T N -0.423 114.142 114.554 0.019 0.000 2.916 299 T HA 0.521 4.871 4.350 -0.000 0.000 0.305 299 T C -0.595 174.109 174.700 0.006 0.000 1.119 299 T CA -0.367 61.738 62.100 0.009 0.000 1.008 299 T CB 1.957 70.829 68.868 0.006 0.000 1.129 299 T HN 0.426 nan 8.240 nan 0.000 0.480 300 V N 2.917 122.831 119.914 0.000 0.000 2.583 300 V HA 0.385 4.505 4.120 -0.000 0.000 0.287 300 V C 0.017 176.109 176.094 -0.003 0.000 1.051 300 V CA -0.434 61.864 62.300 -0.004 0.000 1.010 300 V CB 0.667 32.484 31.823 -0.010 0.000 0.988 300 V HN 0.725 nan 8.190 nan 0.000 0.478 301 I N 5.002 125.570 120.570 -0.003 0.000 2.388 301 I HA 0.333 4.503 4.170 -0.000 0.000 0.281 301 I C 0.283 176.398 176.117 -0.002 0.000 1.046 301 I CA 0.057 61.355 61.300 -0.002 0.000 1.187 301 I CB 0.968 38.968 38.000 -0.001 0.000 1.351 301 I HN 0.727 nan 8.210 nan 0.000 0.472 302 S N 2.729 118.428 115.700 -0.003 0.000 2.621 302 S HA 0.456 4.926 4.470 -0.000 0.000 0.302 302 S C 0.446 175.046 174.600 -0.000 0.000 1.093 302 S CA -0.827 57.372 58.200 -0.002 0.000 1.017 302 S CB 2.168 65.365 63.200 -0.004 0.000 1.077 302 S HN 0.557 nan 8.310 nan 0.000 0.517 303 E N 0.347 120.548 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 303 E C 1.067 177.668 176.600 0.001 0.000 1.030 303 E CA 0.318 56.719 56.400 0.002 0.000 0.869 303 E CB -0.021 29.681 29.700 0.004 0.000 0.857 303 E HN 0.748 nan 8.360 nan 0.000 0.505 304 E N 0.458 120.658 120.200 0.001 0.000 2.338 304 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 304 E C 1.412 178.012 176.600 -0.001 0.000 1.007 304 E CA 0.686 57.086 56.400 0.000 0.000 0.849 304 E CB 0.152 29.851 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.916 119.653 120.570 -0.001 0.000 4.154 305 I HA 0.193 4.363 4.170 -0.000 0.000 0.334 305 I C 0.872 176.988 176.117 -0.001 0.000 1.371 305 I CA 0.019 61.318 61.300 -0.001 0.000 1.110 305 I CB 0.989 38.988 38.000 -0.002 0.000 1.085 305 I HN 0.093 nan 8.210 nan 0.000 0.398 306 G N 2.179 110.979 108.800 -0.000 0.000 2.165 306 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.226 306 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.226 306 G C -0.019 174.881 174.900 -0.001 0.000 1.035 306 G CA -0.328 44.772 45.100 -0.000 0.000 0.744 306 G HN 0.241 nan 8.290 nan 0.000 0.501 307 M N 0.256 119.856 119.600 -0.001 0.000 2.300 307 M HA 0.521 5.001 4.480 -0.000 0.000 0.348 307 M C 0.214 176.513 176.300 -0.001 0.000 1.151 307 M CA -0.220 55.079 55.300 -0.002 0.000 1.046 307 M CB 1.478 34.077 32.600 -0.002 0.000 1.647 307 M HN 0.221 nan 8.290 nan 0.000 0.451 308 E N 2.054 122.253 120.200 -0.002 0.000 2.227 308 E HA 0.325 4.675 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 -0.553 55.846 56.400 -0.001 0.000 0.786 308 E CB 2.235 31.934 29.700 -0.001 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.640 122.862 121.223 -0.002 0.000 2.456 309 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 309 L C 1.429 178.295 176.870 -0.007 0.000 1.148 309 L CA 0.910 55.748 54.840 -0.004 0.000 0.825 309 L CB -0.200 41.860 42.059 0.001 0.000 0.937 309 L HN 0.522 nan 8.230 nan 0.000 0.450 310 E N 0.342 120.538 120.200 -0.006 0.000 2.158 310 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 310 E C 0.648 177.241 176.600 -0.012 0.000 0.982 310 E CA 0.799 57.194 56.400 -0.008 0.000 0.823 310 E CB 0.129 29.826 29.700 -0.005 0.000 0.766 310 E HN 0.260 nan 8.360 nan 0.000 0.468 311 K N 0.713 121.107 120.400 -0.011 0.000 2.765 311 K HA 0.521 4.841 4.320 -0.000 0.000 0.246 311 K C -0.916 175.675 176.600 -0.015 0.000 1.254 311 K CA -0.236 56.043 56.287 -0.012 0.000 1.219 311 K CB 0.968 33.463 32.500 -0.008 0.000 1.747 311 K HN -0.054 nan 8.250 nan 0.000 0.372 312 A N 1.115 123.922 122.820 -0.022 0.000 2.442 312 A HA 0.355 4.675 4.320 -0.000 0.000 0.284 312 A C 0.230 177.788 177.584 -0.043 0.000 1.058 312 A CA -0.755 51.266 52.037 -0.028 0.000 0.738 312 A CB 0.734 19.719 19.000 -0.025 0.000 1.242 312 A HN 0.372 nan 8.150 nan 0.000 0.421 313 T N 0.070 114.596 114.554 -0.046 0.000 3.018 313 T HA 0.473 4.823 4.350 -0.000 0.000 0.338 313 T C 1.081 175.718 174.700 -0.105 0.000 1.208 313 T CA -0.159 61.902 62.100 -0.065 0.000 0.963 313 T CB 0.034 68.874 68.868 -0.047 0.000 1.697 313 T HN 0.378 nan 8.240 nan 0.000 0.560 314 L N -0.019 121.124 121.223 -0.133 0.000 2.567 314 L HA 0.264 4.604 4.340 -0.000 0.000 0.225 314 L C 2.767 179.577 176.870 -0.099 0.000 1.119 314 L CA 0.507 55.208 54.840 -0.231 0.000 0.871 314 L CB -0.362 41.511 42.059 -0.311 0.000 1.036 314 L HN 0.796 nan 8.230 nan 0.000 0.459 315 E N 0.521 120.698 120.200 -0.039 0.000 2.112 315 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 315 E C 0.947 177.557 176.600 0.017 0.000 0.979 315 E CA 0.750 57.156 56.400 0.009 0.000 0.814 315 E CB 0.332 30.035 29.700 0.006 0.000 0.762 315 E HN 0.393 nan 8.360 nan 0.000 0.460 316 D N 0.379 120.777 120.400 -0.004 0.000 2.363 316 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 316 D C -0.215 176.094 176.300 0.016 0.000 1.020 316 D CA 0.312 54.314 54.000 0.004 0.000 0.892 316 D CB 0.241 41.037 40.800 -0.007 0.000 0.900 316 D HN 0.115 nan 8.370 nan 0.000 0.531 317 L N 0.305 121.544 121.223 0.026 0.000 2.343 317 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 317 L C 1.278 178.230 176.870 0.137 0.000 1.056 317 L CA -0.542 54.340 54.840 0.069 0.000 0.804 317 L CB 1.417 43.500 42.059 0.040 0.000 1.203 317 L HN -0.177 nan 8.230 nan 0.000 0.440 318 G N 1.012 109.890 108.800 0.130 0.000 2.572 318 G HA2 0.487 4.447 3.960 -0.000 0.000 0.261 318 G HA3 0.487 4.447 3.960 -0.000 0.000 0.261 318 G C -1.004 173.986 174.900 0.150 0.000 1.197 318 G CA -0.166 45.002 45.100 0.114 0.000 0.870 318 G HN 0.597 nan 8.290 nan 0.000 0.548 319 Q N -0.925 118.921 119.800 0.075 0.000 2.378 319 Q HA 0.549 4.889 4.340 -0.000 0.000 0.262 319 Q C -1.100 174.882 176.000 -0.030 0.000 0.978 319 Q CA -0.712 55.090 55.803 -0.001 0.000 0.918 319 Q CB 1.792 30.509 28.738 -0.035 0.000 1.415 319 Q HN 0.964 nan 8.270 nan 0.000 0.409 320 A N 2.632 125.417 122.820 -0.060 0.000 2.524 320 A HA 0.607 4.927 4.320 -0.000 0.000 0.286 320 A C -0.795 176.746 177.584 -0.071 0.000 1.203 320 A CA -0.645 51.364 52.037 -0.047 0.000 0.736 320 A CB 1.580 20.567 19.000 -0.022 0.000 1.322 320 A HN 0.754 nan 8.150 nan 0.000 0.424 321 K N -0.507 119.862 120.400 -0.052 0.000 2.410 321 K HA 0.315 4.635 4.320 -0.000 0.000 0.200 321 K C -0.046 176.527 176.600 -0.044 0.000 1.023 321 K CA 0.320 56.575 56.287 -0.054 0.000 1.149 321 K CB 0.342 32.818 32.500 -0.041 0.000 0.859 321 K HN 0.516 nan 8.250 nan 0.000 0.514 322 R N -0.021 120.454 120.500 -0.040 0.000 4.584 322 R HA 0.031 4.371 4.340 -0.000 0.000 0.251 322 R C -2.182 174.100 176.300 -0.030 0.000 0.957 322 R CA -0.476 55.605 56.100 -0.032 0.000 1.195 322 R CB 0.682 30.966 30.300 -0.026 0.000 1.233 322 R HN -0.011 nan 8.270 nan 0.000 0.630 323 V N 0.253 120.150 119.914 -0.028 0.000 2.932 323 V HA 0.888 5.008 4.120 -0.000 0.000 0.307 323 V C -1.208 174.866 176.094 -0.034 0.000 1.147 323 V CA -0.723 61.555 62.300 -0.036 0.000 0.951 323 V CB 2.195 33.999 31.823 -0.032 0.000 1.031 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 V N 4.584 124.467 119.914 -0.052 0.000 2.864 324 V HA 0.699 4.819 4.120 -0.000 0.000 0.314 324 V C -0.362 175.693 176.094 -0.064 0.000 1.073 324 V CA -0.504 61.774 62.300 -0.038 0.000 0.956 324 V CB 1.985 33.787 31.823 -0.034 0.000 1.023 324 V HN 1.077 nan 8.190 nan 0.000 0.435 325 I N 0.182 120.737 120.570 -0.025 0.000 2.576 325 I HA 0.506 4.676 4.170 -0.000 0.000 0.279 325 I C -0.100 176.008 176.117 -0.015 0.000 1.114 325 I CA -0.582 60.693 61.300 -0.043 0.000 1.076 325 I CB 1.166 39.158 38.000 -0.012 0.000 1.212 325 I HN 0.435 nan 8.210 nan 0.000 0.472 326 N N 4.600 123.244 118.700 -0.094 0.000 2.255 326 N HA 0.003 4.743 4.740 -0.000 0.000 0.260 326 N C 1.048 176.286 175.510 -0.453 0.000 1.288 326 N CA -0.036 52.935 53.050 -0.132 0.000 0.894 326 N CB 0.735 39.158 38.487 -0.107 0.000 1.033 326 N HN 0.679 nan 8.380 nan 0.000 0.477 327 K N 0.373 120.495 120.400 -0.463 0.000 2.097 327 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 327 K C -0.305 175.917 176.600 -0.631 0.000 1.050 327 K CA 1.794 57.609 56.287 -0.787 0.000 0.938 327 K CB 0.004 32.352 32.500 -0.253 0.000 0.718 327 K HN 0.610 nan 8.250 nan 0.000 0.442 328 D N -1.083 119.117 120.400 -0.332 0.000 2.822 328 D HA 0.104 4.744 4.640 -0.000 0.000 0.327 328 D C -1.140 175.083 176.300 -0.128 0.000 1.577 328 D CA -0.486 53.400 54.000 -0.191 0.000 0.785 328 D CB 0.884 41.620 40.800 -0.107 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.139 114.316 114.554 -0.165 0.000 3.293 329 T HA 0.459 4.809 4.350 -0.000 0.000 0.320 329 T C -0.425 174.147 174.700 -0.213 0.000 0.995 329 T CA -0.460 61.550 62.100 -0.150 0.000 1.041 329 T CB 1.940 70.741 68.868 -0.112 0.000 1.058 329 T HN -0.051 nan 8.240 nan 0.000 0.453 330 T N 1.754 116.097 114.554 -0.353 0.000 2.884 330 T HA 0.819 5.169 4.350 -0.000 0.000 0.277 330 T C -0.053 174.331 174.700 -0.526 0.000 0.976 330 T CA -0.567 61.233 62.100 -0.500 0.000 0.956 330 T CB 1.473 69.819 68.868 -0.870 0.000 1.113 330 T HN 0.723 nan 8.240 nan 0.000 0.554 331 T N 0.860 115.145 114.554 -0.447 0.000 4.242 331 T HA 0.317 4.667 4.350 -0.000 0.000 0.422 331 T C -1.609 172.986 174.700 -0.174 0.000 1.136 331 T CA -0.597 61.327 62.100 -0.294 0.000 1.071 331 T CB -0.183 68.574 68.868 -0.186 0.000 1.260 331 T HN 0.454 nan 8.240 nan 0.000 0.453 332 I N 5.795 126.294 120.570 -0.119 0.000 2.353 332 I HA 0.517 4.687 4.170 -0.000 0.000 0.293 332 I C 0.000 176.100 176.117 -0.029 0.000 0.992 332 I CA -0.966 60.309 61.300 -0.042 0.000 1.268 332 I CB 1.445 39.458 38.000 0.022 0.000 1.387 332 I HN 0.566 nan 8.210 nan 0.000 0.478 333 I N 5.437 125.990 120.570 -0.027 0.000 2.362 333 I HA 0.217 4.387 4.170 -0.000 0.000 0.289 333 I C -0.651 175.455 176.117 -0.018 0.000 0.994 333 I CA -0.526 60.760 61.300 -0.023 0.000 1.158 333 I CB 1.399 39.383 38.000 -0.028 0.000 1.315 333 I HN 0.611 nan 8.210 nan 0.000 0.451 334 D N 4.670 125.062 120.400 -0.013 0.000 4.597 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.234 334 D C -0.209 176.084 176.300 -0.012 0.000 1.052 334 D CA 1.195 55.188 54.000 -0.012 0.000 1.265 334 D CB 0.181 40.971 40.800 -0.016 0.000 0.738 334 D HN 0.816 nan 8.370 nan 0.000 0.372 335 G N 1.614 110.411 108.800 -0.004 0.000 2.454 335 G HA2 0.505 4.465 3.960 -0.000 0.000 0.329 335 G HA3 0.505 4.465 3.960 -0.000 0.000 0.329 335 G C 1.173 176.072 174.900 -0.001 0.000 1.177 335 G CA -0.411 44.689 45.100 -0.001 0.000 0.951 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 V N 1.146 121.060 119.914 -0.000 0.000 2.720 336 V HA -0.004 4.116 4.120 -0.000 0.000 0.256 336 V C 2.167 178.266 176.094 0.008 0.000 1.082 336 V CA 1.104 63.406 62.300 0.003 0.000 1.101 336 V CB -1.266 30.562 31.823 0.008 0.000 0.693 336 V HN 0.846 nan 8.190 nan 0.000 0.479 337 G N 1.243 110.050 108.800 0.012 0.000 2.187 337 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G C -0.063 174.842 174.900 0.008 0.000 1.200 337 G CA -0.087 45.020 45.100 0.012 0.000 0.888 337 G HN 0.583 nan 8.290 nan 0.000 0.482 338 E N 1.874 122.079 120.200 0.008 0.000 2.354 338 E HA 0.063 4.413 4.350 -0.000 0.000 0.269 338 E C 0.670 177.273 176.600 0.004 0.000 1.036 338 E CA -0.216 56.187 56.400 0.005 0.000 0.876 338 E CB 1.322 31.026 29.700 0.006 0.000 1.009 338 E HN 0.654 nan 8.360 nan 0.000 0.416 339 E N 1.358 121.560 120.200 0.003 0.000 2.527 339 E HA -0.158 4.192 4.350 -0.000 0.000 0.204 339 E C 0.967 177.568 176.600 0.001 0.000 1.132 339 E CA 0.205 56.605 56.400 0.002 0.000 0.905 339 E CB 0.002 29.702 29.700 0.000 0.000 0.875 339 E HN 0.502 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 0.227 4.547 4.320 -0.000 0.000 0.212 340 A C 2.288 179.872 177.584 0.001 0.000 1.265 340 A CA 0.753 52.791 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 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.531 122.291 122.820 0.002 0.000 2.119 341 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 341 A C 1.939 179.524 177.584 0.001 0.000 1.153 341 A CA 1.120 53.158 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 -1.665 118.906 120.570 0.002 0.000 2.429 342 I HA -0.128 4.042 4.170 -0.000 0.000 0.247 342 I C 2.529 178.645 176.117 -0.001 0.000 1.099 342 I CA 1.121 62.422 61.300 0.001 0.000 1.422 342 I CB -0.138 37.864 38.000 0.003 0.000 1.112 342 I HN 0.293 nan 8.210 nan 0.000 0.430 343 Q N 1.257 121.057 119.800 -0.001 0.000 2.364 343 Q HA -0.067 4.273 4.340 -0.000 0.000 0.207 343 Q C 1.864 177.863 176.000 -0.003 0.000 0.970 343 Q CA 1.558 57.360 55.803 -0.002 0.000 0.888 343 Q CB -0.286 28.451 28.738 -0.002 0.000 0.951 343 Q HN 0.468 nan 8.270 nan 0.000 0.469 344 G N -0.575 108.224 108.800 -0.002 0.000 2.459 344 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 344 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 344 G C 1.520 176.418 174.900 -0.005 0.000 1.155 344 G CA 0.393 45.492 45.100 -0.003 0.000 0.811 344 G HN 0.279 nan 8.290 nan 0.000 0.534 345 R N 0.518 121.015 120.500 -0.005 0.000 2.115 345 R HA 0.040 4.380 4.340 -0.000 0.000 0.230 345 R C 2.362 178.658 176.300 -0.008 0.000 1.111 345 R CA 1.212 57.308 56.100 -0.007 0.000 0.976 345 R CB -0.694 29.603 30.300 -0.006 0.000 0.870 345 R HN 0.203 nan 8.270 nan 0.000 0.445 346 V N 0.595 120.505 119.914 -0.007 0.000 2.358 346 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 346 V C 2.328 178.416 176.094 -0.009 0.000 1.047 346 V CA 1.774 64.069 62.300 -0.008 0.000 1.035 346 V CB -0.864 30.955 31.823 -0.006 0.000 0.658 346 V HN 0.509 nan 8.190 nan 0.000 0.452 347 A N -0.688 122.127 122.820 -0.007 0.000 1.933 347 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 347 A C 2.191 179.770 177.584 -0.009 0.000 1.175 347 A CA 1.838 53.871 52.037 -0.007 0.000 0.628 347 A CB -0.433 18.564 19.000 -0.006 0.000 0.814 347 A HN 0.624 nan 8.150 nan 0.000 0.444 348 Q N -0.641 119.154 119.800 -0.009 0.000 2.119 348 Q HA -0.047 4.293 4.340 -0.000 0.000 0.201 348 Q C 1.921 177.913 176.000 -0.013 0.000 0.972 348 Q CA 1.457 57.253 55.803 -0.011 0.000 0.847 348 Q CB -0.242 28.490 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.151 120.410 120.570 -0.015 0.000 2.617 349 I HA -0.153 4.017 4.170 -0.000 0.000 0.256 349 I C 2.369 178.475 176.117 -0.018 0.000 1.167 349 I CA 0.500 61.788 61.300 -0.019 0.000 1.469 349 I CB -0.104 37.883 38.000 -0.021 0.000 1.098 349 I HN 0.072 nan 8.210 nan 0.000 0.436 350 R N 0.903 121.395 120.500 -0.014 0.000 2.152 350 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 350 R C 2.208 178.501 176.300 -0.012 0.000 1.117 350 R CA 1.327 57.419 56.100 -0.013 0.000 0.981 350 R CB 0.017 30.311 30.300 -0.010 0.000 0.870 350 R HN 0.400 nan 8.270 nan 0.000 0.451 351 Q N -0.840 118.953 119.800 -0.012 0.000 2.250 351 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 351 Q C 1.759 177.752 176.000 -0.012 0.000 0.941 351 Q CA 0.530 56.327 55.803 -0.010 0.000 0.872 351 Q CB 0.385 29.117 28.738 -0.009 0.000 0.965 351 Q HN 0.375 nan 8.270 nan 0.000 0.480 352 Q N 0.386 120.176 119.800 -0.015 0.000 2.248 352 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 352 Q C 1.913 177.902 176.000 -0.017 0.000 0.984 352 Q CA 1.116 56.909 55.803 -0.017 0.000 0.875 352 Q CB -0.156 28.568 28.738 -0.023 0.000 0.910 352 Q HN 0.509 nan 8.270 nan 0.000 0.433 353 I N 0.714 121.273 120.570 -0.017 0.000 2.617 353 I HA -0.174 3.996 4.170 -0.000 0.000 0.256 353 I C 1.994 178.105 176.117 -0.011 0.000 1.167 353 I CA 0.611 61.901 61.300 -0.017 0.000 1.469 353 I CB -0.190 37.800 38.000 -0.018 0.000 1.098 353 I HN 0.073 nan 8.210 nan 0.000 0.436 354 E N 1.483 121.677 120.200 -0.010 0.000 2.072 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 354 E C 1.183 177.780 176.600 -0.005 0.000 0.982 354 E CA 1.028 57.424 56.400 -0.007 0.000 0.803 354 E CB -0.292 29.405 29.700 -0.006 0.000 0.755 354 E HN 0.581 nan 8.360 nan 0.000 0.453 355 E N 1.136 121.332 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.602 4.350 -0.000 0.000 0.195 355 E C -0.227 176.371 176.600 -0.003 0.000 1.171 355 E CA -0.305 56.092 56.400 -0.004 0.000 1.142 355 E CB 0.232 29.928 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.247 124.066 122.820 -0.003 0.000 2.454 356 A HA 0.143 4.463 4.320 -0.000 0.000 0.260 356 A C 1.260 178.847 177.584 0.005 0.000 1.106 356 A CA -0.170 51.867 52.037 -0.001 0.000 0.780 356 A CB 0.142 19.140 19.000 -0.003 0.000 1.044 356 A HN 0.281 nan 8.150 nan 0.000 0.498 357 T N -0.896 113.664 114.554 0.010 0.000 3.001 357 T HA 0.363 4.713 4.350 -0.000 0.000 0.251 357 T C 0.652 175.364 174.700 0.021 0.000 1.040 357 T CA 0.588 62.695 62.100 0.013 0.000 0.985 357 T CB -0.050 68.825 68.868 0.012 0.000 1.011 357 T HN 0.785 nan 8.240 nan 0.000 0.509 358 S N -0.761 114.956 115.700 0.030 0.000 2.651 358 S HA 0.416 4.886 4.470 -0.000 0.000 0.279 358 S C -0.384 174.249 174.600 0.054 0.000 1.148 358 S CA -0.579 57.649 58.200 0.046 0.000 0.837 358 S CB 1.695 64.935 63.200 0.067 0.000 1.138 358 S HN 0.058 nan 8.310 nan 0.000 0.478 359 D N 0.583 121.024 120.400 0.068 0.000 2.183 359 D HA -0.026 4.614 4.640 -0.000 0.000 0.203 359 D C 1.215 177.573 176.300 0.097 0.000 0.969 359 D CA 1.130 55.170 54.000 0.067 0.000 0.842 359 D CB -0.135 40.704 40.800 0.066 0.000 0.957 359 D HN 0.580 nan 8.370 nan 0.000 0.484 360 Y N 2.161 122.458 120.300 -0.005 0.000 2.092 360 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 360 Y C 1.684 177.576 175.900 -0.014 0.000 1.126 360 Y CA 1.766 59.861 58.100 -0.007 0.000 1.111 360 Y CB -0.463 37.992 38.460 -0.007 0.000 0.987 360 Y HN -0.165 nan 8.280 nan 0.000 0.489 361 D N -0.438 120.014 120.400 0.087 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 -0.075 0.000 1.001 361 D CA 1.711 55.701 54.000 -0.017 0.000 0.875 361 D CB -0.203 40.615 40.800 0.030 0.000 0.921 361 D HN 0.294 nan 8.370 nan 0.000 0.454 362 R N 0.394 120.865 120.500 -0.048 0.000 2.064 362 R HA -0.121 4.219 4.340 -0.000 0.000 0.228 362 R C 1.966 178.214 176.300 -0.087 0.000 1.144 362 R CA 1.108 57.178 56.100 -0.050 0.000 0.932 362 R CB 0.071 30.358 30.300 -0.020 0.000 0.833 362 R HN 0.063 nan 8.270 nan 0.000 0.429 363 E N 1.166 121.302 120.200 -0.108 0.000 2.045 363 E HA -0.252 4.098 4.350 -0.000 0.000 0.212 363 E C 1.672 178.173 176.600 -0.165 0.000 1.039 363 E CA 1.410 57.733 56.400 -0.129 0.000 0.860 363 E CB -0.337 29.272 29.700 -0.153 0.000 0.776 363 E HN 0.214 nan 8.360 nan 0.000 0.467 364 K N 0.600 120.834 120.400 -0.276 0.000 2.589 364 K HA -0.067 4.253 4.320 -0.000 0.000 0.195 364 K C 2.044 178.555 176.600 -0.150 0.000 1.042 364 K CA 0.495 56.635 56.287 -0.245 0.000 0.940 364 K CB -0.262 32.020 32.500 -0.363 0.000 0.776 364 K HN 0.270 nan 8.250 nan 0.000 0.487 365 L N -0.637 120.516 121.223 -0.118 0.000 2.425 365 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 365 L C 2.058 178.893 176.870 -0.058 0.000 1.065 365 L CA 0.251 55.044 54.840 -0.078 0.000 0.842 365 L CB -0.076 41.944 42.059 -0.065 0.000 1.033 365 L HN 0.096 nan 8.230 nan 0.000 0.474 366 Q N 0.102 119.867 119.800 -0.057 0.000 2.297 366 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 366 Q C 1.679 177.657 176.000 -0.037 0.000 0.962 366 Q CA 0.986 56.765 55.803 -0.040 0.000 0.879 366 Q CB 0.212 28.929 28.738 -0.036 0.000 0.947 366 Q HN 0.501 nan 8.270 nan 0.000 0.462 367 E N 0.519 120.690 120.200 -0.048 0.000 2.051 367 E HA -0.072 4.278 4.350 -0.000 0.000 0.189 367 E C 2.012 178.595 176.600 -0.028 0.000 0.979 367 E CA 0.290 56.669 56.400 -0.037 0.000 0.803 367 E CB 0.111 29.782 29.700 -0.047 0.000 0.761 367 E HN 0.177 nan 8.360 nan 0.000 0.451 368 R N 0.714 121.191 120.500 -0.039 0.000 2.127 368 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 368 R C 2.549 178.838 176.300 -0.019 0.000 1.134 368 R CA 1.586 57.668 56.100 -0.031 0.000 0.975 368 R CB -0.333 29.941 30.300 -0.044 0.000 0.865 368 R HN 0.205 nan 8.270 nan 0.000 0.447 369 V N -2.580 117.321 119.914 -0.021 0.000 2.302 369 V HA -0.003 4.117 4.120 -0.000 0.000 0.243 369 V C 2.346 178.434 176.094 -0.009 0.000 1.036 369 V CA 1.401 63.692 62.300 -0.015 0.000 1.020 369 V CB -1.204 30.608 31.823 -0.017 0.000 0.657 369 V HN 0.199 nan 8.190 nan 0.000 0.453 370 A N 1.076 123.890 122.820 -0.010 0.000 1.869 370 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 370 A C 2.317 179.901 177.584 -0.001 0.000 1.203 370 A CA 2.922 54.955 52.037 -0.007 0.000 0.638 370 A CB -0.928 18.067 19.000 -0.008 0.000 0.831 370 A HN 0.624 nan 8.150 nan 0.000 0.450 371 K N -1.369 119.034 120.400 0.005 0.000 2.218 371 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 371 K C 1.712 178.323 176.600 0.017 0.000 1.046 371 K CA 1.435 57.732 56.287 0.016 0.000 0.933 371 K CB -0.243 32.277 32.500 0.034 0.000 0.728 371 K HN 0.409 nan 8.250 nan 0.000 0.454 372 L N -0.813 120.416 121.223 0.011 0.000 2.477 372 L HA 0.124 4.464 4.340 -0.000 0.000 0.220 372 L C 1.683 178.555 176.870 0.004 0.000 1.106 372 L CA 0.732 55.577 54.840 0.010 0.000 0.851 372 L CB 0.275 42.337 42.059 0.005 0.000 0.994 372 L HN 0.027 nan 8.230 nan 0.000 0.462 373 A N -1.288 121.532 122.820 0.001 0.000 1.963 373 A HA 0.349 4.669 4.320 -0.000 0.000 0.207 373 A C 1.811 179.394 177.584 -0.002 0.000 1.243 373 A CA 0.515 52.551 52.037 -0.002 0.000 0.728 373 A CB -0.673 18.324 19.000 -0.004 0.000 0.895 373 A HN 0.316 nan 8.150 nan 0.000 0.467 374 G N 0.283 109.081 108.800 -0.003 0.000 3.474 374 G HA2 0.419 4.379 3.960 -0.000 0.000 0.269 374 G HA3 0.419 4.379 3.960 -0.000 0.000 0.269 374 G C 1.042 175.939 174.900 -0.005 0.000 1.339 374 G CA 0.609 45.706 45.100 -0.005 0.000 1.258 374 G HN 0.779 nan 8.290 nan 0.000 0.560 375 G N 0.214 109.013 108.800 -0.003 0.000 3.304 375 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.859 375 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.859 375 G C 0.152 175.047 174.900 -0.008 0.000 0.958 375 G CA 1.088 46.186 45.100 -0.003 0.000 0.765 375 G HN 0.944 nan 8.290 nan 0.000 1.149 376 V N -0.607 119.300 119.914 -0.011 0.000 2.971 376 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 376 V C 0.377 176.461 176.094 -0.018 0.000 1.130 376 V CA -0.397 61.893 62.300 -0.017 0.000 0.964 376 V CB 1.690 33.500 31.823 -0.022 0.000 1.029 376 V HN 1.400 nan 8.190 nan 0.000 0.427 377 A N 2.646 125.453 122.820 -0.021 0.000 2.301 377 A HA 0.786 5.106 4.320 -0.000 0.000 0.298 377 A C -0.673 176.898 177.584 -0.020 0.000 1.185 377 A CA -0.417 51.608 52.037 -0.020 0.000 0.830 377 A CB 1.009 19.996 19.000 -0.021 0.000 1.112 377 A HN 0.785 nan 8.150 nan 0.000 0.508 378 V N 4.718 124.622 119.914 -0.016 0.000 2.409 378 V HA 0.317 4.437 4.120 -0.000 0.000 0.290 378 V C -0.517 175.570 176.094 -0.012 0.000 1.017 378 V CA -0.116 62.175 62.300 -0.015 0.000 0.841 378 V CB 1.243 33.057 31.823 -0.014 0.000 1.003 378 V HN 0.753 nan 8.190 nan 0.000 0.426 379 I N 5.592 126.156 120.570 -0.011 0.000 2.328 379 I HA 0.412 4.582 4.170 -0.000 0.000 0.287 379 I C 0.102 176.216 176.117 -0.006 0.000 1.012 379 I CA -0.544 60.751 61.300 -0.008 0.000 1.195 379 I CB 1.223 39.219 38.000 -0.007 0.000 1.350 379 I HN 0.438 nan 8.210 nan 0.000 0.464 380 K N 6.179 126.577 120.400 -0.005 0.000 2.266 380 K HA 0.375 4.695 4.320 -0.000 0.000 0.274 380 K C -0.308 176.291 176.600 -0.002 0.000 1.090 380 K CA -0.583 55.702 56.287 -0.003 0.000 0.925 380 K CB 1.309 33.806 32.500 -0.004 0.000 1.225 380 K HN 0.341 nan 8.250 nan 0.000 0.458 381 V N 2.462 122.376 119.914 0.000 0.000 3.083 381 V HA -0.124 3.996 4.120 -0.000 0.000 0.303 381 V C 1.657 177.752 176.094 0.001 0.000 1.151 381 V CA 0.464 62.765 62.300 0.002 0.000 1.275 381 V CB 0.168 31.993 31.823 0.004 0.000 0.950 381 V HN 0.955 nan 8.190 nan 0.000 0.506 382 G N 1.310 110.111 108.800 0.001 0.000 2.393 382 G HA2 0.508 4.468 3.960 -0.000 0.000 0.268 382 G HA3 0.508 4.468 3.960 -0.000 0.000 0.268 382 G C 0.130 175.031 174.900 0.001 0.000 1.472 382 G CA 0.482 45.582 45.100 0.001 0.000 1.059 382 G HN 1.370 nan 8.290 nan 0.000 0.555 383 A N -3.521 119.300 122.820 0.001 0.000 5.519 383 A HA 0.837 5.157 4.320 -0.000 0.000 0.158 383 A C 0.078 177.663 177.584 0.002 0.000 0.860 383 A CA 0.774 52.812 52.037 0.002 0.000 1.134 383 A CB -0.315 18.686 19.000 0.001 0.000 2.248 383 A HN 2.574 nan 8.150 nan 0.000 1.056 384 A N -0.592 122.229 122.820 0.001 0.000 3.033 384 A HA 0.573 4.893 4.320 -0.000 0.000 0.262 384 A C 1.026 178.611 177.584 0.002 0.000 1.301 384 A CA 1.169 53.207 52.037 0.001 0.000 0.727 384 A CB -2.623 16.378 19.000 0.001 0.000 1.094 384 A HN 3.567 nan 8.150 nan 0.000 0.374 385 T N -2.124 112.431 114.554 0.002 0.000 0.541 385 T HA -0.091 4.259 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 1.525 63.627 62.100 0.002 0.000 4.077 385 T CB -1.040 67.829 68.868 0.002 0.000 2.303 385 T HN 1.908 nan 8.240 nan 0.000 0.398 386 E N 0.989 121.191 120.200 0.003 0.000 2.085 386 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 386 E C 2.187 178.790 176.600 0.004 0.000 0.994 386 E CA 2.067 58.469 56.400 0.004 0.000 0.801 386 E CB -0.182 29.521 29.700 0.004 0.000 0.743 386 E HN 0.647 nan 8.360 nan 0.000 0.453 387 V N 1.362 121.279 119.914 0.004 0.000 2.332 387 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 387 V C 2.074 178.170 176.094 0.004 0.000 1.055 387 V CA 2.258 64.561 62.300 0.004 0.000 1.038 387 V CB -0.531 31.294 31.823 0.004 0.000 0.651 387 V HN 0.310 nan 8.190 nan 0.000 0.450 388 E N -0.791 119.411 120.200 0.004 0.000 2.158 388 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 388 E C 2.194 178.797 176.600 0.004 0.000 0.982 388 E CA 0.891 57.293 56.400 0.004 0.000 0.823 388 E CB -0.198 29.504 29.700 0.003 0.000 0.766 388 E HN 0.418 nan 8.360 nan 0.000 0.468 389 M N 1.242 120.845 119.600 0.004 0.000 2.086 389 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 389 M C 1.559 177.862 176.300 0.006 0.000 1.067 389 M CA 1.508 56.811 55.300 0.004 0.000 1.116 389 M CB -0.140 32.462 32.600 0.004 0.000 1.348 389 M HN -0.149 nan 8.290 nan 0.000 0.407 390 K N 0.124 120.527 120.400 0.006 0.000 2.439 390 K HA -0.106 4.214 4.320 -0.000 0.000 0.197 390 K C 1.730 178.335 176.600 0.008 0.000 1.041 390 K CA 0.744 57.035 56.287 0.007 0.000 0.970 390 K CB -0.188 32.317 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.954 121.158 120.200 0.007 0.000 2.166 391 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 391 E C 1.871 178.476 176.600 0.008 0.000 0.967 391 E CA 0.440 56.844 56.400 0.007 0.000 0.840 391 E CB 0.288 29.991 29.700 0.005 0.000 0.795 391 E HN 0.078 nan 8.360 nan 0.000 0.470 392 K N 1.176 121.580 120.400 0.007 0.000 2.062 392 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 392 K C 2.243 178.849 176.600 0.010 0.000 1.051 392 K CA 1.194 57.485 56.287 0.008 0.000 0.941 392 K CB 0.011 32.515 32.500 0.006 0.000 0.719 392 K HN -0.089 nan 8.250 nan 0.000 0.440 393 K N 0.343 120.749 120.400 0.010 0.000 2.059 393 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 393 K C 1.900 178.510 176.600 0.017 0.000 1.050 393 K CA 1.619 57.913 56.287 0.012 0.000 0.927 393 K CB -0.219 32.288 32.500 0.011 0.000 0.714 393 K HN 0.217 nan 8.250 nan 0.000 0.447 394 A N 1.425 124.254 122.820 0.016 0.000 1.845 394 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 394 A C 2.055 179.651 177.584 0.021 0.000 1.195 394 A CA 1.635 53.682 52.037 0.018 0.000 0.616 394 A CB -0.575 18.433 19.000 0.012 0.000 0.832 394 A HN 0.378 nan 8.150 nan 0.000 0.443 395 R N -0.622 119.887 120.500 0.016 0.000 2.211 395 R HA -0.094 4.246 4.340 -0.000 0.000 0.240 395 R C 1.894 178.207 176.300 0.022 0.000 1.144 395 R CA 1.252 57.362 56.100 0.017 0.000 0.992 395 R CB -0.540 29.767 30.300 0.012 0.000 0.869 395 R HN 0.424 nan 8.270 nan 0.000 0.462 396 V N 0.974 120.902 119.914 0.023 0.000 2.283 396 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 396 V C 1.976 178.094 176.094 0.040 0.000 1.039 396 V CA 1.683 63.998 62.300 0.024 0.000 1.016 396 V CB -0.327 31.506 31.823 0.017 0.000 0.650 396 V HN 0.309 nan 8.190 nan 0.000 0.449 397 E N 0.502 120.733 120.200 0.052 0.000 2.049 397 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 397 E C 2.305 178.992 176.600 0.146 0.000 1.007 397 E CA 1.577 58.036 56.400 0.097 0.000 0.809 397 E CB -0.430 29.329 29.700 0.098 0.000 0.749 397 E HN 0.579 nan 8.360 nan 0.000 0.450 398 A N 1.363 124.235 122.820 0.087 0.000 1.908 398 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 398 A C 2.351 179.988 177.584 0.089 0.000 1.181 398 A CA 1.976 54.054 52.037 0.068 0.000 0.627 398 A CB -0.761 18.253 19.000 0.023 0.000 0.818 398 A HN 0.317 nan 8.150 nan 0.000 0.445 399 A N -0.291 122.567 122.820 0.064 0.000 1.832 399 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 399 A C 2.121 179.739 177.584 0.056 0.000 1.200 399 A CA 1.713 53.780 52.037 0.050 0.000 0.610 399 A CB -0.936 18.082 19.000 0.030 0.000 0.842 399 A HN 0.945 nan 8.150 nan 0.000 0.444 400 L N -0.240 121.009 121.223 0.044 0.000 2.010 400 L HA -0.299 4.041 4.340 -0.000 0.000 0.219 400 L C 2.265 179.142 176.870 0.011 0.000 1.077 400 L CA 2.832 57.679 54.840 0.011 0.000 0.773 400 L CB -1.242 40.808 42.059 -0.014 0.000 0.892 400 L HN 0.579 nan 8.230 nan 0.000 0.436 401 H N -0.169 118.901 119.070 -0.001 0.000 2.355 401 H HA -0.214 4.342 4.556 -0.000 0.000 0.293 401 H C 2.069 177.398 175.328 0.003 0.000 1.060 401 H CA 2.280 58.328 56.048 0.000 0.000 1.167 401 H CB -0.644 29.119 29.762 0.001 0.000 1.376 401 H HN 0.535 nan 8.280 nan 0.000 0.549 402 A N 0.018 122.943 122.820 0.175 0.000 2.042 402 A HA -0.226 4.094 4.320 -0.000 0.000 0.222 402 A C 2.674 180.292 177.584 0.056 0.000 1.167 402 A CA 2.338 54.431 52.037 0.093 0.000 0.649 402 A CB -1.006 18.032 19.000 0.062 0.000 0.809 402 A HN 0.525 nan 8.150 nan 0.000 0.457 403 T N -0.920 113.660 114.554 0.043 0.000 2.614 403 T HA -0.139 4.211 4.350 -0.000 0.000 0.263 403 T C 2.169 176.876 174.700 0.012 0.000 1.055 403 T CA 1.311 63.423 62.100 0.021 0.000 1.162 403 T CB -0.268 68.606 68.868 0.010 0.000 0.863 403 T HN 0.366 nan 8.240 nan 0.000 0.414 404 R N 1.291 121.790 120.500 -0.002 0.000 2.159 404 R HA -0.116 4.224 4.340 -0.000 0.000 0.249 404 R C 2.412 178.715 176.300 0.005 0.000 1.136 404 R CA 1.986 58.077 56.100 -0.015 0.000 0.951 404 R CB -1.235 29.035 30.300 -0.050 0.000 0.876 404 R HN 0.452 nan 8.270 nan 0.000 0.440 405 A N -0.501 122.334 122.820 0.025 0.000 2.216 405 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 405 A C 2.048 179.646 177.584 0.023 0.000 1.160 405 A CA 1.530 53.586 52.037 0.032 0.000 0.725 405 A CB -0.258 18.775 19.000 0.054 0.000 0.784 405 A HN 0.433 nan 8.150 nan 0.000 0.472 406 A N -0.983 121.848 122.820 0.019 0.000 1.942 406 A HA 0.240 4.560 4.320 -0.000 0.000 0.209 406 A C 2.008 179.598 177.584 0.010 0.000 1.214 406 A CA 0.975 53.021 52.037 0.015 0.000 0.686 406 A CB -0.539 18.471 19.000 0.015 0.000 0.871 406 A HN 0.277 nan 8.150 nan 0.000 0.460 407 V N 0.711 120.629 119.914 0.007 0.000 2.324 407 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 407 V C 2.390 178.486 176.094 0.003 0.000 1.060 407 V CA 2.490 64.792 62.300 0.003 0.000 1.042 407 V CB -0.857 30.965 31.823 -0.002 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 0.004 0.000 2.006 408 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 408 E C 1.515 178.118 176.600 0.005 0.000 0.993 408 E CA 1.375 57.778 56.400 0.005 0.000 0.808 408 E CB -0.046 29.658 29.700 0.007 0.000 0.764 408 E HN 0.652 nan 8.360 nan 0.000 0.449 409 E N -0.180 120.024 120.200 0.006 0.000 2.685 409 E HA 0.249 4.599 4.350 -0.000 0.000 0.208 409 E C 0.110 176.714 176.600 0.007 0.000 0.996 409 E CA -0.015 56.388 56.400 0.005 0.000 1.054 409 E CB 1.186 30.888 29.700 0.003 0.000 1.075 409 E HN 0.333 nan 8.360 nan 0.000 0.460 410 G N 1.050 109.854 108.800 0.008 0.000 2.598 410 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 410 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 410 G C -0.211 174.696 174.900 0.011 0.000 1.302 410 G CA -0.273 44.833 45.100 0.009 0.000 0.903 410 G HN 0.642 nan 8.290 nan 0.000 0.575 411 V N -3.033 116.888 119.914 0.012 0.000 3.114 411 V HA 0.968 5.088 4.120 -0.000 0.000 0.308 411 V C -0.150 175.953 176.094 0.015 0.000 1.168 411 V CA 0.372 62.681 62.300 0.014 0.000 1.015 411 V CB 1.495 33.328 31.823 0.015 0.000 1.050 411 V HN 2.624 nan 8.190 nan 0.000 0.433 412 V N 2.235 122.159 119.914 0.017 0.000 3.120 412 V HA 0.893 5.013 4.120 -0.000 0.000 0.303 412 V C 0.488 176.595 176.094 0.022 0.000 1.238 412 V CA -0.246 62.065 62.300 0.019 0.000 1.008 412 V CB 1.842 33.675 31.823 0.018 0.000 1.064 412 V HN 2.686 nan 8.190 nan 0.000 0.434 413 A N 3.743 126.579 122.820 0.026 0.000 2.500 413 A HA 0.383 4.703 4.320 -0.000 0.000 0.286 413 A C 1.079 178.678 177.584 0.024 0.000 1.170 413 A CA 1.139 53.193 52.037 0.029 0.000 0.951 413 A CB -1.349 17.674 19.000 0.038 0.000 0.965 413 A HN 2.114 nan 8.150 nan 0.000 0.551 414 G N 1.425 110.238 108.800 0.021 0.000 2.486 414 G HA2 0.515 4.475 3.960 -0.000 0.000 0.272 414 G HA3 0.515 4.475 3.960 -0.000 0.000 0.272 414 G C 1.266 176.177 174.900 0.019 0.000 1.426 414 G CA -0.057 45.054 45.100 0.018 0.000 1.058 414 G HN 2.237 nan 8.290 nan 0.000 0.531 415 G N -2.229 106.581 108.800 0.017 0.000 2.249 415 G HA2 0.224 4.184 3.960 -0.000 0.000 0.273 415 G HA3 0.224 4.184 3.960 -0.000 0.000 0.273 415 G C 1.509 176.418 174.900 0.015 0.000 1.036 415 G CA 1.163 46.275 45.100 0.019 0.000 0.824 415 G HN 2.487 nan 8.290 nan 0.000 0.504 416 G N -2.764 106.042 108.800 0.010 0.000 2.284 416 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.247 416 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.247 416 G C 1.979 176.882 174.900 0.006 0.000 1.012 416 G CA 1.869 46.971 45.100 0.003 0.000 0.618 416 G HN 2.057 nan 8.290 nan 0.000 0.521 417 V N -0.807 119.116 119.914 0.014 0.000 2.270 417 V HA 0.264 4.384 4.120 -0.000 0.000 0.245 417 V C 3.105 179.212 176.094 0.023 0.000 1.043 417 V CA 2.416 64.728 62.300 0.020 0.000 1.014 417 V CB -1.786 30.053 31.823 0.027 0.000 0.645 417 V HN 1.757 nan 8.190 nan 0.000 0.447 418 A N 1.589 124.422 122.820 0.022 0.000 1.899 418 A HA -0.303 4.017 4.320 -0.000 0.000 0.230 418 A C 2.281 179.876 177.584 0.018 0.000 1.593 418 A CA 3.240 55.290 52.037 0.021 0.000 0.728 418 A CB -1.163 17.847 19.000 0.017 0.000 0.848 418 A HN 0.633 nan 8.150 nan 0.000 0.490 419 L N -0.945 120.286 121.223 0.014 0.000 1.994 419 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 419 L C 2.624 179.501 176.870 0.012 0.000 1.071 419 L CA 1.731 56.578 54.840 0.011 0.000 0.745 419 L CB -0.806 41.257 42.059 0.007 0.000 0.892 419 L HN 0.455 nan 8.230 nan 0.000 0.431 420 I N -0.351 120.226 120.570 0.012 0.000 2.315 420 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 420 I C 2.807 178.938 176.117 0.022 0.000 1.125 420 I CA 0.893 62.202 61.300 0.014 0.000 1.392 420 I CB -0.451 37.557 38.000 0.013 0.000 1.065 420 I HN 0.281 nan 8.210 nan 0.000 0.424 421 R N 1.520 122.036 120.500 0.028 0.000 2.082 421 R HA -0.109 4.231 4.340 -0.000 0.000 0.228 421 R C 2.196 178.511 176.300 0.026 0.000 1.140 421 R CA 1.870 57.991 56.100 0.035 0.000 0.920 421 R CB -1.125 29.199 30.300 0.040 0.000 0.828 421 R HN 0.095 nan 8.270 nan 0.000 0.430 422 V N 1.302 121.228 119.914 0.021 0.000 2.218 422 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 422 V C 2.281 178.383 176.094 0.013 0.000 1.057 422 V CA 2.647 64.956 62.300 0.015 0.000 1.022 422 V CB -1.276 30.553 31.823 0.011 0.000 0.645 422 V HN 0.629 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 -0.194 4.126 4.320 -0.000 0.000 0.217 423 A C 2.328 179.919 177.584 0.011 0.000 1.171 423 A CA 2.120 54.162 52.037 0.009 0.000 0.688 423 A CB -0.631 18.374 19.000 0.008 0.000 0.781 423 A HN 0.807 nan 8.150 nan 0.000 0.479 424 S N -1.021 114.688 115.700 0.015 0.000 2.478 424 S HA 0.045 4.515 4.470 -0.000 0.000 0.222 424 S C 1.673 176.282 174.600 0.015 0.000 1.008 424 S CA 0.711 58.921 58.200 0.017 0.000 0.928 424 S CB -0.027 63.188 63.200 0.024 0.000 0.781 424 S HN 0.622 nan 8.310 nan 0.000 0.518 425 K N 1.420 121.829 120.400 0.014 0.000 2.021 425 K HA 0.255 4.575 4.320 -0.000 0.000 0.205 425 K C 1.250 177.855 176.600 0.008 0.000 1.047 425 K CA 0.781 57.074 56.287 0.011 0.000 0.943 425 K CB -0.443 32.064 32.500 0.012 0.000 0.725 425 K HN 0.310 nan 8.250 nan 0.000 0.439 426 L N 1.702 122.929 121.223 0.007 0.000 2.962 426 L HA -0.036 4.304 4.340 -0.000 0.000 0.263 426 L C 1.724 178.596 176.870 0.004 0.000 1.152 426 L CA -0.341 54.502 54.840 0.005 0.000 0.954 426 L CB -0.714 41.347 42.059 0.004 0.000 1.213 426 L HN 0.198 nan 8.230 nan 0.000 0.422 427 A N -0.680 122.143 122.820 0.005 0.000 2.172 427 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 427 A C 1.763 179.349 177.584 0.003 0.000 1.154 427 A CA 1.145 53.185 52.037 0.005 0.000 0.701 427 A CB -0.142 18.861 19.000 0.005 0.000 0.789 427 A HN 0.390 nan 8.150 nan 0.000 0.465 428 D N -1.160 119.242 120.400 0.003 0.000 2.389 428 D HA 0.098 4.738 4.640 -0.000 0.000 0.206 428 D C 0.327 176.628 176.300 0.001 0.000 1.055 428 D CA -0.206 53.795 54.000 0.002 0.000 0.856 428 D CB 0.040 40.841 40.800 0.002 0.000 0.957 428 D HN 0.345 nan 8.370 nan 0.000 0.509 429 L N 2.293 123.517 121.223 0.002 0.000 2.578 429 L HA 0.004 4.344 4.340 -0.000 0.000 0.279 429 L C 0.189 177.060 176.870 0.001 0.000 1.227 429 L CA 0.762 55.603 54.840 0.001 0.000 0.900 429 L CB 0.057 42.117 42.059 0.001 0.000 1.144 429 L HN -0.163 nan 8.230 nan 0.000 0.496 430 R N 3.130 123.630 120.500 0.000 0.000 2.855 430 R HA 0.723 5.063 4.340 -0.000 0.000 0.266 430 R C -0.227 176.073 176.300 -0.000 0.000 1.034 430 R CA -0.339 55.761 56.100 -0.000 0.000 0.944 430 R CB 1.462 31.762 30.300 -0.000 0.000 1.219 430 R HN 0.790 nan 8.270 nan 0.000 0.474 431 G N -0.372 108.428 108.800 -0.001 0.000 3.212 431 G HA2 0.219 4.179 3.960 -0.000 0.000 0.188 431 G HA3 0.219 4.179 3.960 -0.000 0.000 0.188 431 G C 0.033 174.932 174.900 -0.001 0.000 1.254 431 G CA -0.176 44.923 45.100 -0.001 0.000 0.957 431 G HN 0.412 nan 8.290 nan 0.000 0.596 432 Q N -0.379 119.421 119.800 -0.001 0.000 2.204 432 Q HA 0.115 4.455 4.340 -0.000 0.000 0.198 432 Q C -0.101 175.898 176.000 -0.002 0.000 0.946 432 Q CA 0.668 56.470 55.803 -0.002 0.000 0.859 432 Q CB 0.154 28.891 28.738 -0.002 0.000 0.946 432 Q HN 0.588 nan 8.270 nan 0.000 0.474 433 N N -1.489 117.210 118.700 -0.002 0.000 2.321 433 N HA 0.402 5.142 4.740 -0.000 0.000 0.290 433 N C -0.030 175.479 175.510 -0.001 0.000 1.212 433 N CA -0.021 53.028 53.050 -0.002 0.000 0.767 433 N CB 0.718 39.204 38.487 -0.002 0.000 1.494 433 N HN -0.071 nan 8.380 nan 0.000 0.479 434 A N 0.493 123.313 122.820 -0.001 0.000 1.915 434 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 434 A C 1.023 178.606 177.584 -0.001 0.000 1.198 434 A CA 2.103 54.139 52.037 -0.001 0.000 0.647 434 A CB -1.028 17.972 19.000 -0.001 0.000 0.825 434 A HN 0.762 nan 8.150 nan 0.000 0.456 435 D N -1.148 119.252 120.400 -0.001 0.000 2.411 435 D HA -0.068 4.572 4.640 -0.000 0.000 0.226 435 D C 1.644 177.943 176.300 -0.001 0.000 0.988 435 D CA 1.023 55.022 54.000 -0.001 0.000 0.938 435 D CB -0.051 40.748 40.800 -0.002 0.000 0.883 435 D HN 0.739 nan 8.370 nan 0.000 0.525 436 Q N -1.001 118.799 119.800 -0.001 0.000 2.404 436 Q HA 0.089 4.429 4.340 -0.000 0.000 0.262 436 Q C 1.411 177.410 176.000 -0.001 0.000 0.846 436 Q CA -0.235 55.568 55.803 -0.001 0.000 0.978 436 Q CB 0.529 29.267 28.738 -0.001 0.000 1.156 436 Q HN 0.022 nan 8.270 nan 0.000 0.548 437 N N 0.208 118.907 118.700 -0.000 0.000 2.166 437 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 437 N C 1.686 177.196 175.510 0.000 0.000 1.019 437 N CA 1.095 54.145 53.050 -0.000 0.000 0.856 437 N CB -0.020 38.467 38.487 -0.000 0.000 0.993 437 N HN 0.044 nan 8.380 nan 0.000 0.426 438 V N 0.724 120.638 119.914 0.000 0.000 2.453 438 V HA -0.082 4.038 4.120 -0.000 0.000 0.247 438 V C 2.292 178.386 176.094 0.001 0.000 1.048 438 V CA 1.754 64.055 62.300 0.000 0.000 1.049 438 V CB -1.027 30.796 31.823 0.000 0.000 0.672 438 V HN 0.328 nan 8.190 nan 0.000 0.457 439 G N -0.580 108.220 108.800 0.000 0.000 2.535 439 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 439 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 439 G C 1.387 176.287 174.900 0.001 0.000 1.122 439 G CA 0.731 45.832 45.100 0.001 0.000 0.769 439 G HN 0.512 nan 8.290 nan 0.000 0.549 440 I N -0.536 120.034 120.570 0.001 0.000 2.834 440 I HA 0.050 4.220 4.170 -0.000 0.000 0.239 440 I C 2.382 178.499 176.117 0.001 0.000 1.073 440 I CA 0.160 61.460 61.300 0.001 0.000 1.459 440 I CB -0.118 37.883 38.000 0.001 0.000 1.288 440 I HN -0.159 nan 8.210 nan 0.000 0.455 441 K N 1.033 121.433 120.400 0.001 0.000 2.163 441 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 441 K C 2.065 178.666 176.600 0.002 0.000 1.048 441 K CA 1.225 57.513 56.287 0.002 0.000 0.928 441 K CB -1.024 31.477 32.500 0.001 0.000 0.716 441 K HN 0.197 nan 8.250 nan 0.000 0.459 442 V N 1.217 121.132 119.914 0.002 0.000 2.295 442 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 442 V C 2.407 178.503 176.094 0.002 0.000 1.049 442 V CA 2.045 64.346 62.300 0.002 0.000 1.024 442 V CB -0.712 31.112 31.823 0.002 0.000 0.648 442 V HN 0.373 nan 8.190 nan 0.000 0.447 443 A N -0.887 121.935 122.820 0.003 0.000 2.067 443 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 443 A C 2.133 179.719 177.584 0.003 0.000 1.158 443 A CA 1.456 53.495 52.037 0.003 0.000 0.661 443 A CB -0.345 18.657 19.000 0.002 0.000 0.801 443 A HN 0.536 nan 8.150 nan 0.000 0.452 444 L N -1.558 119.666 121.223 0.003 0.000 2.071 444 L HA -0.014 4.326 4.340 -0.000 0.000 0.201 444 L C 2.633 179.505 176.870 0.003 0.000 1.076 444 L CA 1.242 56.084 54.840 0.003 0.000 0.755 444 L CB -0.582 41.479 42.059 0.003 0.000 0.915 444 L HN 0.371 nan 8.230 nan 0.000 0.445 445 R N 0.892 121.394 120.500 0.002 0.000 2.211 445 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 445 R C 1.683 177.983 176.300 -0.000 0.000 1.144 445 R CA 1.310 57.410 56.100 0.001 0.000 0.992 445 R CB -0.095 30.205 30.300 0.000 0.000 0.869 445 R HN 0.382 nan 8.270 nan 0.000 0.462 446 A N -0.415 122.406 122.820 0.001 0.000 2.307 446 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 446 A C 1.466 179.051 177.584 0.002 0.000 1.228 446 A CA -0.020 52.018 52.037 0.001 0.000 0.857 446 A CB 0.070 19.072 19.000 0.003 0.000 0.897 446 A HN 0.318 nan 8.150 nan 0.000 0.495 447 M N -1.451 118.150 119.600 0.002 0.000 2.461 447 M HA 0.120 4.600 4.480 -0.000 0.000 0.255 447 M C 1.064 177.364 176.300 -0.000 0.000 1.137 447 M CA 0.420 55.722 55.300 0.002 0.000 1.086 447 M CB 0.165 32.767 32.600 0.004 0.000 1.356 447 M HN 0.328 nan 8.290 nan 0.000 0.487 448 E N 1.123 121.321 120.200 -0.003 0.000 2.511 448 E HA 0.033 4.383 4.350 -0.000 0.000 0.196 448 E C 1.760 178.352 176.600 -0.013 0.000 1.066 448 E CA 0.234 56.629 56.400 -0.007 0.000 0.871 448 E CB 0.130 29.826 29.700 -0.007 0.000 0.863 448 E HN 0.461 nan 8.360 nan 0.000 0.520 449 A N 2.083 124.897 122.820 -0.010 0.000 1.832 449 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 449 A C -0.361 177.214 177.584 -0.016 0.000 1.204 449 A CA 0.722 52.752 52.037 -0.012 0.000 0.606 449 A CB -1.443 17.553 19.000 -0.006 0.000 0.849 449 A HN 0.084 nan 8.150 nan 0.000 0.445 450 P HA -0.210 nan 4.420 nan 0.000 0.217 450 P C 1.674 178.961 177.300 -0.022 0.000 1.158 450 P CA 1.397 64.490 63.100 -0.011 0.000 0.887 450 P CB -0.063 31.635 31.700 -0.004 0.000 0.792 451 L N -0.692 120.515 121.223 -0.027 0.000 1.961 451 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 451 L C 2.408 179.236 176.870 -0.071 0.000 1.075 451 L CA 1.766 56.577 54.840 -0.048 0.000 0.749 451 L CB -0.896 41.133 42.059 -0.049 0.000 0.890 451 L HN -0.288 nan 8.230 nan 0.000 0.433 452 R N -1.001 119.462 120.500 -0.063 0.000 2.257 452 R HA -0.307 4.033 4.340 -0.000 0.000 0.265 452 R C 2.242 178.505 176.300 -0.062 0.000 1.191 452 R CA 1.912 57.972 56.100 -0.066 0.000 1.010 452 R CB -0.326 29.948 30.300 -0.042 0.000 0.883 452 R HN 0.488 nan 8.270 nan 0.000 0.473 453 Q N 0.530 120.301 119.800 -0.049 0.000 2.013 453 Q HA -0.005 4.335 4.340 -0.000 0.000 0.195 453 Q C 1.884 177.857 176.000 -0.046 0.000 0.974 453 Q CA 1.421 57.201 55.803 -0.039 0.000 0.826 453 Q CB -0.056 28.667 28.738 -0.025 0.000 0.895 453 Q HN 0.336 nan 8.270 nan 0.000 0.448 454 I N -0.017 120.526 120.570 -0.045 0.000 2.315 454 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 454 I C 1.924 178.000 176.117 -0.068 0.000 1.125 454 I CA 0.853 62.129 61.300 -0.040 0.000 1.392 454 I CB -0.564 37.421 38.000 -0.025 0.000 1.065 454 I HN 0.020 nan 8.210 nan 0.000 0.424 455 V N 0.888 120.726 119.914 -0.126 0.000 2.913 455 V HA -0.198 3.922 4.120 -0.000 0.000 0.260 455 V C 2.212 178.239 176.094 -0.112 0.000 1.098 455 V CA 1.292 63.475 62.300 -0.195 0.000 1.121 455 V CB -0.329 31.325 31.823 -0.282 0.000 0.714 455 V HN 0.365 nan 8.190 nan 0.000 0.487 456 L N 0.166 121.345 121.223 -0.073 0.000 2.249 456 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 456 L C 1.826 178.678 176.870 -0.030 0.000 1.090 456 L CA 1.339 56.151 54.840 -0.046 0.000 0.802 456 L CB -0.477 41.559 42.059 -0.038 0.000 0.947 456 L HN 0.255 nan 8.230 nan 0.000 0.453 457 N N -1.257 117.427 118.700 -0.026 0.000 2.575 457 N HA -0.057 4.683 4.740 -0.000 0.000 0.192 457 N C 0.646 176.151 175.510 -0.007 0.000 1.200 457 N CA 0.703 53.745 53.050 -0.014 0.000 0.897 457 N CB -0.351 38.130 38.487 -0.011 0.000 0.990 457 N HN 0.376 nan 8.380 nan 0.000 0.449 458 C N -1.507 117.787 119.300 -0.011 0.000 3.525 458 C HA 0.393 4.853 4.460 -0.000 0.000 0.289 458 C C 1.634 176.625 174.990 0.001 0.000 1.496 458 C CA -0.361 58.660 59.018 0.004 0.000 1.804 458 C CB -0.447 27.306 27.740 0.023 0.000 2.708 458 C HN 0.478 nan 8.230 nan 0.000 0.642 459 G N 1.773 110.568 108.800 -0.008 0.000 2.180 459 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 459 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 459 G C -0.236 174.660 174.900 -0.006 0.000 0.989 459 G CA 0.556 45.652 45.100 -0.006 0.000 0.692 459 G HN 0.574 nan 8.290 nan 0.000 0.526 460 E N 0.970 121.160 120.200 -0.017 0.000 2.174 460 E HA 0.277 4.627 4.350 -0.000 0.000 0.282 460 E C 0.445 177.018 176.600 -0.046 0.000 0.992 460 E CA -0.534 55.855 56.400 -0.020 0.000 0.803 460 E CB 0.757 30.447 29.700 -0.017 0.000 1.090 460 E HN 0.576 nan 8.360 nan 0.000 0.396 461 E N 4.269 124.453 120.200 -0.025 0.000 2.757 461 E HA -0.097 4.253 4.350 -0.000 0.000 0.238 461 E C -1.563 175.004 176.600 -0.054 0.000 1.057 461 E CA -0.815 55.569 56.400 -0.028 0.000 0.952 461 E CB 0.216 29.911 29.700 -0.007 0.000 0.934 461 E HN 0.210 nan 8.360 nan 0.000 0.518 462 P HA -0.144 nan 4.420 nan 0.000 0.219 462 P C 1.045 178.310 177.300 -0.058 0.000 1.150 462 P CA 0.822 63.868 63.100 -0.089 0.000 0.814 462 P CB 0.301 31.956 31.700 -0.074 0.000 0.787 463 S N -0.326 115.354 115.700 -0.034 0.000 2.393 463 S HA -0.186 4.284 4.470 -0.000 0.000 0.234 463 S C 1.915 176.508 174.600 -0.011 0.000 1.064 463 S CA 1.905 60.094 58.200 -0.018 0.000 1.088 463 S CB -1.611 61.584 63.200 -0.010 0.000 0.939 463 S HN -0.002 nan 8.310 nan 0.000 0.448 464 V N 1.173 121.083 119.914 -0.007 0.000 2.278 464 V HA -0.068 4.052 4.120 -0.000 0.000 0.238 464 V C 2.342 178.452 176.094 0.026 0.000 1.039 464 V CA 1.187 63.498 62.300 0.017 0.000 1.017 464 V CB -1.000 30.846 31.823 0.039 0.000 0.657 464 V HN 0.361 nan 8.190 nan 0.000 0.462 465 V N 0.775 120.690 119.914 0.002 0.000 2.353 465 V HA -0.403 3.717 4.120 -0.000 0.000 0.260 465 V C 2.610 178.705 176.094 0.002 0.000 1.091 465 V CA 2.510 64.799 62.300 -0.018 0.000 1.088 465 V CB -1.345 30.253 31.823 -0.375 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.204 123.004 122.820 -0.035 0.000 1.832 466 A HA -0.239 4.081 4.320 -0.000 0.000 0.214 466 A C 2.051 179.644 177.584 0.015 0.000 1.204 466 A CA 1.884 53.911 52.037 -0.017 0.000 0.606 466 A CB -0.905 18.078 19.000 -0.028 0.000 0.849 466 A HN 0.612 nan 8.150 nan 0.000 0.445 467 N N -0.550 118.158 118.700 0.013 0.000 2.111 467 N HA -0.193 4.547 4.740 -0.000 0.000 0.197 467 N C 1.598 177.126 175.510 0.030 0.000 1.011 467 N CA 2.741 55.803 53.050 0.019 0.000 0.880 467 N CB -0.512 37.984 38.487 0.016 0.000 1.031 467 N HN 0.390 nan 8.380 nan 0.000 0.444 468 T N -0.855 113.721 114.554 0.037 0.000 2.812 468 T HA -0.005 4.345 4.350 -0.000 0.000 0.264 468 T C 1.830 176.558 174.700 0.046 0.000 1.042 468 T CA 1.076 63.187 62.100 0.018 0.000 1.140 468 T CB -0.221 68.623 68.868 -0.040 0.000 0.870 468 T HN 0.070 nan 8.240 nan 0.000 0.445 469 V N 1.416 121.363 119.914 0.057 0.000 2.515 469 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 469 V C 2.384 178.535 176.094 0.096 0.000 1.058 469 V CA 1.445 63.769 62.300 0.039 0.000 1.064 469 V CB -0.441 31.400 31.823 0.031 0.000 0.675 469 V HN 0.450 nan 8.190 nan 0.000 0.461 470 K N 0.434 120.876 120.400 0.070 0.000 2.031 470 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 470 K C 2.017 178.660 176.600 0.072 0.000 1.049 470 K CA 1.201 57.526 56.287 0.062 0.000 0.939 470 K CB -0.575 31.947 32.500 0.037 0.000 0.717 470 K HN 0.529 nan 8.250 nan 0.000 0.438 471 G N 0.696 109.537 108.800 0.068 0.000 2.894 471 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.203 471 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.203 471 G C 0.460 175.392 174.900 0.054 0.000 1.173 471 G CA 0.691 45.822 45.100 0.050 0.000 0.854 471 G HN 0.377 nan 8.290 nan 0.000 0.510 472 G N -0.470 108.392 108.800 0.103 0.000 3.291 472 G HA2 0.612 4.572 3.960 -0.000 0.000 0.173 472 G HA3 0.612 4.572 3.960 -0.000 0.000 0.173 472 G C -1.246 173.694 174.900 0.068 0.000 1.099 472 G CA 0.172 45.310 45.100 0.063 0.000 0.794 472 G HN 0.412 nan 8.290 nan 0.000 0.651 473 D N -3.073 117.381 120.400 0.091 0.000 2.913 473 D HA 0.520 5.160 4.640 -0.000 0.000 0.293 473 D C 0.384 176.739 176.300 0.092 0.000 1.238 473 D CA 0.682 54.727 54.000 0.076 0.000 0.738 473 D CB 0.335 41.151 40.800 0.028 0.000 1.254 473 D HN 1.961 nan 8.370 nan 0.000 0.429 474 G N 0.134 108.978 108.800 0.074 0.000 2.542 474 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.235 474 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.235 474 G C -0.180 174.782 174.900 0.103 0.000 1.286 474 G CA 0.038 45.182 45.100 0.074 0.000 0.904 474 G HN 0.792 nan 8.290 nan 0.000 0.577 475 N N -0.011 118.752 118.700 0.106 0.000 2.313 475 N HA 0.177 4.917 4.740 -0.000 0.000 0.207 475 N C 0.092 175.697 175.510 0.158 0.000 1.141 475 N CA -0.158 52.955 53.050 0.106 0.000 0.830 475 N CB 0.158 38.691 38.487 0.076 0.000 1.008 475 N HN 0.488 nan 8.380 nan 0.000 0.481 476 Y N 1.469 121.798 120.300 0.049 0.000 2.605 476 Y HA 0.279 4.829 4.550 -0.000 0.000 0.336 476 Y C 0.587 176.553 175.900 0.110 0.000 1.111 476 Y CA -0.245 57.897 58.100 0.070 0.000 1.422 476 Y CB -0.039 38.450 38.460 0.048 0.000 1.193 476 Y HN -0.029 nan 8.280 nan 0.000 0.526 477 G N 4.633 113.339 108.800 -0.156 0.000 3.247 477 G HA2 0.316 4.276 3.960 -0.000 0.000 0.226 477 G HA3 0.316 4.276 3.960 -0.000 0.000 0.226 477 G C -2.191 172.673 174.900 -0.061 0.000 1.220 477 G CA -0.869 44.151 45.100 -0.133 0.000 0.875 477 G HN 0.597 nan 8.290 nan 0.000 0.606 478 Y N 0.821 121.032 120.300 -0.148 0.000 2.373 478 Y HA 0.550 5.100 4.550 -0.000 0.000 0.336 478 Y C -0.637 175.130 175.900 -0.220 0.000 0.979 478 Y CA -1.207 56.714 58.100 -0.300 0.000 1.080 478 Y CB 1.807 40.041 38.460 -0.377 0.000 1.190 478 Y HN 0.444 nan 8.280 nan 0.000 0.446 479 N N 4.458 122.889 118.700 -0.448 0.000 2.430 479 N HA 0.203 4.943 4.740 -0.000 0.000 0.265 479 N C 0.555 175.886 175.510 -0.298 0.000 1.100 479 N CA 0.778 53.668 53.050 -0.267 0.000 0.961 479 N CB 1.795 40.130 38.487 -0.253 0.000 1.075 479 N HN 0.978 nan 8.380 nan 0.000 0.478 480 A N 4.585 127.430 122.820 0.041 0.000 1.865 480 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 480 A C 2.073 179.670 177.584 0.022 0.000 1.191 480 A CA 2.050 54.185 52.037 0.163 0.000 0.623 480 A CB -1.047 18.017 19.000 0.107 0.000 0.826 480 A HN 0.759 nan 8.150 nan 0.000 0.444 481 A N -0.475 122.326 122.820 -0.031 0.000 1.851 481 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 481 A C 2.482 180.016 177.584 -0.084 0.000 1.195 481 A CA 2.899 54.909 52.037 -0.045 0.000 0.622 481 A CB -1.509 17.469 19.000 -0.037 0.000 0.831 481 A HN 0.901 nan 8.150 nan 0.000 0.444 482 T N -3.426 111.046 114.554 -0.138 0.000 3.055 482 T HA 0.026 4.376 4.350 -0.000 0.000 0.265 482 T C 0.536 175.100 174.700 -0.227 0.000 1.111 482 T CA 1.106 63.112 62.100 -0.156 0.000 1.118 482 T CB -0.409 68.368 68.868 -0.152 0.000 0.909 482 T HN 0.597 nan 8.240 nan 0.000 0.501 483 E N 0.513 120.494 120.200 -0.365 0.000 2.971 483 E HA -0.131 4.219 4.350 -0.000 0.000 0.278 483 E C -0.783 175.455 176.600 -0.603 0.000 1.009 483 E CA 0.790 56.908 56.400 -0.471 0.000 0.862 483 E CB -1.136 28.474 29.700 -0.150 0.000 1.436 483 E HN 0.692 nan 8.360 nan 0.000 0.434 484 E N -0.464 119.333 120.200 -0.671 0.000 2.317 484 E HA 0.393 4.743 4.350 -0.000 0.000 0.270 484 E C -0.225 176.059 176.600 -0.527 0.000 0.885 484 E CA -0.628 55.497 56.400 -0.457 0.000 0.760 484 E CB 0.988 30.579 29.700 -0.182 0.000 1.227 484 E HN -0.017 nan 8.360 nan 0.000 0.434 485 Y N 0.514 120.694 120.300 -0.201 0.000 2.314 485 Y HA 0.573 5.123 4.550 -0.000 0.000 0.359 485 Y C 1.526 177.413 175.900 -0.022 0.000 1.360 485 Y CA 0.804 58.817 58.100 -0.144 0.000 1.697 485 Y CB 0.484 38.895 38.460 -0.082 0.000 1.630 485 Y HN 0.727 nan 8.280 nan 0.000 0.583 486 G N -0.316 108.646 108.800 0.271 0.000 2.293 486 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.282 486 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.282 486 G C -1.596 173.449 174.900 0.241 0.000 1.299 486 G CA -1.001 44.269 45.100 0.285 0.000 1.018 486 G HN 0.641 nan 8.290 nan 0.000 0.478 487 N N 1.321 120.123 118.700 0.169 0.000 2.399 487 N HA 0.142 4.882 4.740 -0.000 0.000 0.259 487 N C 1.920 177.474 175.510 0.074 0.000 1.160 487 N CA -0.417 52.710 53.050 0.128 0.000 0.946 487 N CB 0.543 39.086 38.487 0.093 0.000 1.156 487 N HN 0.442 nan 8.380 nan 0.000 0.489 488 M N 3.319 122.958 119.600 0.065 0.000 2.267 488 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 488 M C 1.449 177.768 176.300 0.031 0.000 1.063 488 M CA 0.961 56.282 55.300 0.036 0.000 1.090 488 M CB -0.427 32.193 32.600 0.034 0.000 1.392 488 M HN 0.539 nan 8.290 nan 0.000 0.422 489 I N 0.145 120.737 120.570 0.037 0.000 2.333 489 I HA -0.201 3.969 4.170 -0.000 0.000 0.246 489 I C 1.885 178.017 176.117 0.024 0.000 1.106 489 I CA 1.191 62.508 61.300 0.029 0.000 1.411 489 I CB -1.270 36.748 38.000 0.030 0.000 1.082 489 I HN 0.215 nan 8.210 nan 0.000 0.420 490 D N 0.856 121.273 120.400 0.028 0.000 2.117 490 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 490 D C 2.184 178.493 176.300 0.016 0.000 0.987 490 D CA 1.103 55.117 54.000 0.022 0.000 0.829 490 D CB -0.142 40.674 40.800 0.027 0.000 0.961 490 D HN 0.285 nan 8.370 nan 0.000 0.460 491 M N -0.322 119.287 119.600 0.015 0.000 2.700 491 M HA 0.040 4.520 4.480 -0.000 0.000 0.249 491 M C 1.078 177.378 176.300 -0.000 0.000 1.082 491 M CA 0.785 56.087 55.300 0.003 0.000 1.077 491 M CB -0.047 32.550 32.600 -0.005 0.000 1.477 491 M HN 0.090 nan 8.290 nan 0.000 0.529 492 G N 1.925 110.728 108.800 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 0.035 174.938 174.900 0.005 0.000 1.008 492 G CA -0.169 44.934 45.100 0.005 0.000 0.724 492 G HN 0.538 nan 8.290 nan 0.000 0.514 493 I N 0.872 121.446 120.570 0.007 0.000 2.388 493 I HA 0.572 4.742 4.170 -0.000 0.000 0.281 493 I C 0.124 176.249 176.117 0.014 0.000 1.046 493 I CA -0.835 60.470 61.300 0.008 0.000 1.187 493 I CB 0.601 38.603 38.000 0.005 0.000 1.351 493 I HN 0.259 nan 8.210 nan 0.000 0.472 494 L N 3.678 124.909 121.223 0.014 0.000 2.710 494 L HA 0.697 5.037 4.340 -0.000 0.000 0.260 494 L C -1.726 175.154 176.870 0.016 0.000 0.993 494 L CA -0.796 54.054 54.840 0.016 0.000 0.877 494 L CB 1.787 43.857 42.059 0.017 0.000 1.461 494 L HN 0.107 nan 8.230 nan 0.000 0.413 495 D N -0.016 120.394 120.400 0.017 0.000 2.619 495 D HA 0.518 5.158 4.640 -0.000 0.000 0.241 495 D C -2.800 173.512 176.300 0.019 0.000 1.087 495 D CA -1.256 52.754 54.000 0.018 0.000 0.851 495 D CB 2.196 43.006 40.800 0.017 0.000 1.474 495 D HN 0.356 nan 8.370 nan 0.000 0.478 496 P HA -0.020 nan 4.420 nan 0.000 0.269 496 P C 0.890 178.201 177.300 0.018 0.000 1.205 496 P CA 0.185 63.297 63.100 0.021 0.000 0.780 496 P CB 0.615 32.331 31.700 0.027 0.000 0.858 497 T N 0.948 115.511 114.554 0.014 0.000 2.770 497 T HA -0.142 4.208 4.350 -0.000 0.000 0.263 497 T C 1.639 176.344 174.700 0.008 0.000 1.039 497 T CA 1.080 63.186 62.100 0.010 0.000 1.142 497 T CB -0.386 68.487 68.868 0.007 0.000 0.868 497 T HN 0.478 nan 8.240 nan 0.000 0.435 498 K N 0.895 121.301 120.400 0.010 0.000 2.049 498 K HA -0.236 4.084 4.320 -0.000 0.000 0.219 498 K C 2.391 178.998 176.600 0.011 0.000 1.056 498 K CA 2.277 58.569 56.287 0.009 0.000 0.946 498 K CB -0.657 31.855 32.500 0.019 0.000 0.723 498 K HN 0.314 nan 8.250 nan 0.000 0.453 499 V N -0.286 119.641 119.914 0.022 0.000 2.261 499 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 499 V C 1.776 177.882 176.094 0.020 0.000 1.047 499 V CA 2.558 64.875 62.300 0.028 0.000 1.015 499 V CB -1.050 30.792 31.823 0.032 0.000 0.642 499 V HN 0.428 nan 8.190 nan 0.000 0.446 500 T N 0.102 114.665 114.554 0.014 0.000 2.946 500 T HA -0.145 4.205 4.350 -0.000 0.000 0.271 500 T C 1.787 176.488 174.700 0.001 0.000 1.104 500 T CA 1.954 64.061 62.100 0.011 0.000 1.114 500 T CB -0.377 68.498 68.868 0.010 0.000 0.867 500 T HN 0.694 nan 8.240 nan 0.000 0.513 501 R N 0.877 121.372 120.500 -0.008 0.000 2.046 501 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 501 R C 2.631 178.899 176.300 -0.053 0.000 1.179 501 R CA 1.277 57.359 56.100 -0.031 0.000 0.952 501 R CB -0.500 29.777 30.300 -0.038 0.000 0.843 501 R HN 0.146 nan 8.270 nan 0.000 0.439 502 S N 0.952 116.615 115.700 -0.061 0.000 2.393 502 S HA -0.313 4.157 4.470 -0.000 0.000 0.235 502 S C 2.054 176.649 174.600 -0.008 0.000 1.061 502 S CA 1.812 59.952 58.200 -0.100 0.000 1.129 502 S CB -0.650 62.563 63.200 0.020 0.000 1.011 502 S HN 0.615 nan 8.310 nan 0.000 0.436 503 A N 0.828 123.681 122.820 0.055 0.000 1.917 503 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 503 A C 2.145 179.761 177.584 0.052 0.000 1.182 503 A CA 1.815 53.900 52.037 0.081 0.000 0.633 503 A CB -0.694 18.339 19.000 0.054 0.000 0.819 503 A HN 0.438 nan 8.150 nan 0.000 0.448 504 L N -0.411 120.819 121.223 0.012 0.000 2.156 504 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 504 L C 2.405 179.270 176.870 -0.009 0.000 1.095 504 L CA 2.045 56.887 54.840 0.003 0.000 0.770 504 L CB -0.562 41.492 42.059 -0.008 0.000 0.914 504 L HN 0.515 nan 8.230 nan 0.000 0.439 505 Q N -1.721 118.044 119.800 -0.058 0.000 1.984 505 Q HA -0.171 4.169 4.340 -0.000 0.000 0.196 505 Q C 2.196 178.182 176.000 -0.025 0.000 0.975 505 Q CA 1.683 57.428 55.803 -0.098 0.000 0.827 505 Q CB -0.490 28.107 28.738 -0.235 0.000 0.894 505 Q HN 0.419 nan 8.270 nan 0.000 0.438 506 Y N 0.984 121.286 120.300 0.003 0.000 2.193 506 Y HA -0.256 4.294 4.550 -0.000 0.000 0.285 506 Y C 2.431 178.332 175.900 0.001 0.000 1.166 506 Y CA 0.983 59.084 58.100 0.002 0.000 1.181 506 Y CB -0.937 37.524 38.460 0.002 0.000 0.976 506 Y HN 0.191 nan 8.280 nan 0.000 0.520 507 A N -0.086 122.829 122.820 0.160 0.000 1.877 507 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 507 A C 2.539 180.162 177.584 0.065 0.000 1.186 507 A CA 2.016 54.106 52.037 0.089 0.000 0.620 507 A CB -1.269 17.766 19.000 0.059 0.000 0.822 507 A HN 0.398 nan 8.150 nan 0.000 0.443 508 A N -0.611 122.241 122.820 0.053 0.000 1.865 508 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 508 A C 2.460 180.070 177.584 0.043 0.000 1.191 508 A CA 2.389 54.446 52.037 0.034 0.000 0.623 508 A CB -1.255 17.755 19.000 0.016 0.000 0.826 508 A HN 0.671 nan 8.150 nan 0.000 0.444 509 S N -0.632 115.108 115.700 0.066 0.000 2.427 509 S HA -0.222 4.248 4.470 -0.000 0.000 0.231 509 S C 1.905 176.539 174.600 0.056 0.000 1.045 509 S CA 2.368 60.612 58.200 0.073 0.000 1.154 509 S CB -0.933 62.349 63.200 0.136 0.000 1.093 509 S HN 0.402 nan 8.310 nan 0.000 0.422 510 V N 2.839 122.790 119.914 0.061 0.000 2.215 510 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 510 V C 2.925 179.035 176.094 0.026 0.000 1.054 510 V CA 2.437 64.760 62.300 0.037 0.000 1.012 510 V CB -1.703 30.138 31.823 0.031 0.000 0.639 510 V HN 0.746 nan 8.190 nan 0.000 0.448 511 A N 0.203 123.038 122.820 0.026 0.000 1.954 511 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 511 A C 2.354 179.947 177.584 0.014 0.000 1.199 511 A CA 2.753 54.801 52.037 0.017 0.000 0.657 511 A CB -1.561 17.450 19.000 0.018 0.000 0.823 511 A HN 0.670 nan 8.150 nan 0.000 0.463 512 G N -0.175 108.635 108.800 0.017 0.000 2.639 512 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 512 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 512 G C 1.513 176.419 174.900 0.011 0.000 1.267 512 G CA 1.229 46.337 45.100 0.013 0.000 0.801 512 G HN 0.510 nan 8.290 nan 0.000 0.592 513 L N -0.240 120.991 121.223 0.013 0.000 2.054 513 L HA -0.267 4.073 4.340 -0.000 0.000 0.220 513 L C 3.141 180.013 176.870 0.005 0.000 1.081 513 L CA 1.911 56.756 54.840 0.010 0.000 0.780 513 L CB -0.587 41.480 42.059 0.013 0.000 0.893 513 L HN 0.276 nan 8.230 nan 0.000 0.438 514 M N -0.620 118.983 119.600 0.005 0.000 2.229 514 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 514 M C 2.185 178.484 176.300 -0.002 0.000 1.063 514 M CA 1.649 56.948 55.300 -0.001 0.000 1.114 514 M CB -0.266 32.334 32.600 -0.000 0.000 1.387 514 M HN 0.228 nan 8.290 nan 0.000 0.420 515 I N -0.407 120.164 120.570 0.001 0.000 2.830 515 I HA -0.131 4.039 4.170 -0.000 0.000 0.263 515 I C 1.271 177.387 176.117 -0.002 0.000 1.230 515 I CA 0.925 62.225 61.300 -0.000 0.000 1.480 515 I CB -0.544 37.457 38.000 0.002 0.000 1.095 515 I HN 0.312 nan 8.210 nan 0.000 0.455 516 T N -2.519 112.034 114.554 -0.001 0.000 3.268 516 T HA 0.283 4.633 4.350 -0.000 0.000 0.258 516 T C 0.198 174.896 174.700 -0.004 0.000 0.966 516 T CA -0.404 61.695 62.100 -0.003 0.000 0.952 516 T CB -0.198 68.669 68.868 -0.002 0.000 1.132 516 T HN -0.107 nan 8.240 nan 0.000 0.536 517 T N 1.435 115.986 114.554 -0.004 0.000 2.829 517 T HA 0.468 4.818 4.350 -0.000 0.000 0.280 517 T C 0.253 174.953 174.700 0.001 0.000 0.999 517 T CA -0.646 61.452 62.100 -0.004 0.000 0.983 517 T CB 2.142 71.004 68.868 -0.010 0.000 0.968 517 T HN 0.098 nan 8.240 nan 0.000 0.446 518 E N 0.313 120.521 120.200 0.012 0.000 2.541 518 E HA 0.188 4.538 4.350 -0.000 0.000 0.219 518 E C -0.084 176.593 176.600 0.128 0.000 0.922 518 E CA 0.097 56.517 56.400 0.034 0.000 1.095 518 E CB 0.957 30.649 29.700 -0.013 0.000 1.112 518 E HN 0.553 nan 8.360 nan 0.000 0.516 519 C N 1.074 120.448 119.300 0.122 0.000 2.686 519 C HA 0.686 5.146 4.460 -0.000 0.000 0.318 519 C C -1.236 173.784 174.990 0.049 0.000 1.160 519 C CA -0.570 58.592 59.018 0.240 0.000 1.396 519 C CB 0.292 28.246 27.740 0.358 0.000 1.924 519 C HN 0.105 nan 8.230 nan 0.000 0.471 520 M N 5.338 124.887 119.600 -0.084 0.000 2.395 520 M HA 0.569 5.049 4.480 -0.000 0.000 0.307 520 M C -1.148 175.093 176.300 -0.099 0.000 1.091 520 M CA -0.644 54.550 55.300 -0.176 0.000 0.919 520 M CB 2.148 34.459 32.600 -0.482 0.000 1.662 520 M HN 0.372 nan 8.290 nan 0.000 0.440 521 V N 1.715 121.647 119.914 0.032 0.000 2.380 521 V HA 0.511 4.631 4.120 -0.000 0.000 0.286 521 V C -0.360 175.823 176.094 0.148 0.000 1.015 521 V CA -0.307 62.051 62.300 0.097 0.000 0.834 521 V CB 1.773 33.638 31.823 0.070 0.000 1.009 521 V HN 0.975 nan 8.190 nan 0.000 0.428 522 T N 2.424 117.109 114.554 0.218 0.000 2.887 522 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 522 T C -0.560 174.162 174.700 0.036 0.000 1.087 522 T CA -0.478 61.700 62.100 0.131 0.000 1.009 522 T CB 1.794 70.753 68.868 0.153 0.000 1.203 522 T HN 0.628 nan 8.240 nan 0.000 0.518 523 D N 0.941 121.340 120.400 -0.003 0.000 2.354 523 D HA 0.303 4.943 4.640 -0.000 0.000 0.238 523 D C -0.265 175.994 176.300 -0.069 0.000 1.250 523 D CA -0.050 53.933 54.000 -0.027 0.000 0.911 523 D CB 0.265 41.049 40.800 -0.026 0.000 1.163 523 D HN 0.185 nan 8.370 nan 0.000 0.456 524 L N 2.355 123.541 121.223 -0.060 0.000 2.350 524 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 524 L C -1.751 175.067 176.870 -0.087 0.000 1.099 524 L CA -1.887 52.905 54.840 -0.080 0.000 0.808 524 L CB 0.779 42.806 42.059 -0.053 0.000 1.149 524 L HN 0.317 nan 8.230 nan 0.000 0.442 525 P HA -0.069 nan 4.420 nan 0.000 0.314 525 P C -0.823 176.437 177.300 -0.067 0.000 1.521 525 P CA 0.775 63.815 63.100 -0.099 0.000 0.754 525 P CB -0.228 31.403 31.700 -0.114 0.000 1.692 526 K N 0.000 120.367 120.400 -0.055 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543