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 3e76_1_N DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.953 125.769 122.820 -0.006 0.000 2.511 3 A HA 0.573 4.893 4.320 -0.000 0.000 0.242 3 A C 0.271 177.850 177.584 -0.008 0.000 1.069 3 A CA 0.317 52.353 52.037 -0.002 0.000 0.763 3 A CB 0.127 19.129 19.000 0.003 0.000 1.001 3 A HN 0.621 nan 8.150 nan 0.000 0.498 4 K N 1.410 121.809 120.400 -0.002 0.000 2.281 4 K HA 0.431 4.751 4.320 -0.000 0.000 0.242 4 K C -1.405 175.202 176.600 0.011 0.000 0.971 4 K CA -0.718 55.562 56.287 -0.012 0.000 0.834 4 K CB 2.052 34.543 32.500 -0.014 0.000 1.181 4 K HN 0.755 nan 8.250 nan 0.000 0.435 5 D N 0.993 121.400 120.400 0.012 0.000 2.278 5 D HA 0.392 5.032 4.640 -0.000 0.000 0.245 5 D C -1.324 175.068 176.300 0.154 0.000 1.052 5 D CA -0.598 53.460 54.000 0.096 0.000 0.834 5 D CB 1.445 42.333 40.800 0.146 0.000 1.194 5 D HN 0.066 nan 8.370 nan 0.000 0.481 6 V N 4.185 124.168 119.914 0.114 0.000 2.531 6 V HA 0.438 4.557 4.120 -0.000 0.000 0.301 6 V C -0.035 175.941 176.094 -0.196 0.000 1.034 6 V CA -0.814 61.463 62.300 -0.038 0.000 0.865 6 V CB 1.788 33.515 31.823 -0.160 0.000 0.995 6 V HN 0.409 nan 8.190 nan 0.000 0.424 7 K N 3.732 123.936 120.400 -0.326 0.000 2.259 7 K HA 0.746 5.065 4.320 -0.000 0.000 0.252 7 K C -1.586 174.692 176.600 -0.536 0.000 0.936 7 K CA -0.500 55.521 56.287 -0.444 0.000 0.810 7 K CB 2.340 34.426 32.500 -0.689 0.000 1.143 7 K HN 0.447 nan 8.250 nan 0.000 0.427 8 F N 0.328 120.235 119.950 -0.072 0.000 2.522 8 F HA 0.422 4.949 4.527 -0.000 0.000 0.324 8 F C 1.202 176.974 175.800 -0.047 0.000 1.077 8 F CA 0.092 58.070 58.000 -0.038 0.000 0.944 8 F CB 1.782 40.769 39.000 -0.021 0.000 1.175 8 F HN 0.838 nan 8.300 nan 0.000 0.468 9 G N 2.438 111.345 108.800 0.177 0.000 2.611 9 G HA2 -0.418 3.541 3.960 -0.000 0.000 0.301 9 G HA3 -0.418 3.541 3.960 -0.000 0.000 0.301 9 G C 1.263 176.184 174.900 0.035 0.000 1.233 9 G CA 0.674 45.830 45.100 0.093 0.000 0.993 9 G HN 0.687 nan 8.290 nan 0.000 0.553 10 N N 0.771 119.485 118.700 0.023 0.000 2.104 10 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 10 N C 1.863 177.361 175.510 -0.019 0.000 1.024 10 N CA 1.995 55.046 53.050 0.003 0.000 0.853 10 N CB -0.413 38.076 38.487 0.002 0.000 1.008 10 N HN 0.592 nan 8.380 nan 0.000 0.424 11 D N 0.334 120.718 120.400 -0.027 0.000 2.149 11 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 11 D C 1.534 177.753 176.300 -0.135 0.000 0.990 11 D CA 1.125 55.081 54.000 -0.073 0.000 0.839 11 D CB 0.101 40.860 40.800 -0.069 0.000 0.948 11 D HN 0.338 nan 8.370 nan 0.000 0.460 12 A N 0.499 123.246 122.820 -0.122 0.000 1.970 12 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 12 A C 2.314 179.853 177.584 -0.076 0.000 1.170 12 A CA 0.699 52.638 52.037 -0.163 0.000 0.645 12 A CB -0.240 18.689 19.000 -0.118 0.000 0.816 12 A HN 0.132 nan 8.150 nan 0.000 0.447 13 R N -0.242 120.236 120.500 -0.036 0.000 2.073 13 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 13 R C 2.113 178.407 176.300 -0.010 0.000 1.120 13 R CA 1.457 57.552 56.100 -0.009 0.000 0.967 13 R CB -0.548 29.753 30.300 0.001 0.000 0.862 13 R HN 0.538 nan 8.270 nan 0.000 0.436 14 V N -0.279 119.621 119.914 -0.023 0.000 2.594 14 V HA -0.175 3.945 4.120 -0.000 0.000 0.253 14 V C 1.708 177.795 176.094 -0.012 0.000 1.069 14 V CA 1.506 63.796 62.300 -0.017 0.000 1.082 14 V CB -0.404 31.406 31.823 -0.023 0.000 0.680 14 V HN 0.118 nan 8.190 nan 0.000 0.469 15 K N -0.201 120.185 120.400 -0.023 0.000 2.155 15 K HA 0.130 4.450 4.320 -0.000 0.000 0.203 15 K C 2.103 178.731 176.600 0.047 0.000 1.052 15 K CA 1.512 57.805 56.287 0.010 0.000 0.948 15 K CB -0.277 32.219 32.500 -0.007 0.000 0.728 15 K HN 0.515 nan 8.250 nan 0.000 0.448 16 M N 0.309 119.933 119.600 0.040 0.000 2.123 16 M HA -0.140 4.339 4.480 -0.000 0.000 0.263 16 M C 2.236 178.553 176.300 0.030 0.000 1.069 16 M CA 1.062 56.389 55.300 0.044 0.000 1.133 16 M CB -0.272 32.351 32.600 0.040 0.000 1.356 16 M HN 0.016 nan 8.290 nan 0.000 0.415 17 L N 0.525 121.760 121.223 0.020 0.000 2.012 17 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 17 L C 2.457 179.336 176.870 0.015 0.000 1.073 17 L CA 1.953 56.802 54.840 0.015 0.000 0.748 17 L CB -0.587 41.478 42.059 0.010 0.000 0.891 17 L HN 0.163 nan 8.230 nan 0.000 0.431 18 R N -0.398 120.111 120.500 0.015 0.000 2.105 18 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 18 R C 2.128 178.440 176.300 0.021 0.000 1.135 18 R CA 1.688 57.798 56.100 0.016 0.000 0.967 18 R CB -1.025 29.285 30.300 0.016 0.000 0.861 18 R HN 0.519 nan 8.270 nan 0.000 0.442 19 G N -0.316 108.501 108.800 0.028 0.000 2.394 19 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.214 19 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.214 19 G C 1.423 176.335 174.900 0.020 0.000 1.176 19 G CA 0.884 46.001 45.100 0.028 0.000 0.786 19 G HN 0.330 nan 8.290 nan 0.000 0.533 20 V N -0.326 119.599 119.914 0.020 0.000 2.427 20 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 20 V C 2.271 178.372 176.094 0.012 0.000 1.051 20 V CA 2.077 64.386 62.300 0.016 0.000 1.048 20 V CB -0.734 31.099 31.823 0.017 0.000 0.666 20 V HN 0.155 nan 8.190 nan 0.000 0.456 21 N N 0.923 119.630 118.700 0.012 0.000 2.223 21 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 21 N C 1.704 177.219 175.510 0.008 0.000 1.016 21 N CA 1.635 54.690 53.050 0.009 0.000 0.863 21 N CB -0.543 37.949 38.487 0.009 0.000 0.983 21 N HN 0.517 nan 8.380 nan 0.000 0.429 22 V N 0.982 120.901 119.914 0.009 0.000 2.270 22 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 22 V C 2.351 178.448 176.094 0.005 0.000 1.043 22 V CA 1.031 63.336 62.300 0.007 0.000 1.014 22 V CB -0.516 31.312 31.823 0.008 0.000 0.645 22 V HN 0.227 nan 8.190 nan 0.000 0.447 23 L N -0.003 121.223 121.223 0.005 0.000 2.046 23 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 23 L C 2.494 179.365 176.870 0.002 0.000 1.077 23 L CA 1.818 56.660 54.840 0.003 0.000 0.747 23 L CB -0.480 41.580 42.059 0.002 0.000 0.896 23 L HN 0.306 nan 8.230 nan 0.000 0.432 24 A N -0.395 122.427 122.820 0.004 0.000 1.855 24 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 24 A C 1.864 179.450 177.584 0.003 0.000 1.191 24 A CA 1.968 54.008 52.037 0.004 0.000 0.613 24 A CB -0.806 18.198 19.000 0.007 0.000 0.829 24 A HN 0.481 nan 8.150 nan 0.000 0.442 25 D N 0.047 120.449 120.400 0.003 0.000 2.218 25 D HA 0.004 4.644 4.640 -0.000 0.000 0.204 25 D C 1.935 178.236 176.300 0.001 0.000 0.976 25 D CA 1.313 55.314 54.000 0.002 0.000 0.853 25 D CB -0.257 40.544 40.800 0.003 0.000 0.939 25 D HN 0.450 nan 8.370 nan 0.000 0.481 26 A N -0.171 122.649 122.820 0.001 0.000 2.119 26 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 26 A C 2.184 179.767 177.584 -0.002 0.000 1.152 26 A CA 0.567 52.603 52.037 -0.001 0.000 0.708 26 A CB 0.125 19.125 19.000 -0.001 0.000 0.805 26 A HN 0.158 nan 8.150 nan 0.000 0.460 27 V N 0.392 120.305 119.914 -0.002 0.000 2.788 27 V HA -0.101 4.019 4.120 -0.000 0.000 0.241 27 V C 2.276 178.368 176.094 -0.003 0.000 1.083 27 V CA 1.492 63.790 62.300 -0.004 0.000 1.103 27 V CB -0.220 31.600 31.823 -0.005 0.000 0.800 27 V HN 0.769 nan 8.190 nan 0.000 0.476 28 K N 1.887 122.286 120.400 -0.001 0.000 2.360 28 K HA -0.112 4.208 4.320 -0.000 0.000 0.201 28 K C 1.676 178.276 176.600 -0.000 0.000 1.046 28 K CA 1.817 58.104 56.287 0.000 0.000 0.945 28 K CB -0.602 31.899 32.500 0.002 0.000 0.750 28 K HN 0.492 nan 8.250 nan 0.000 0.464 29 V N -0.512 119.401 119.914 -0.001 0.000 3.217 29 V HA -0.063 4.057 4.120 -0.000 0.000 0.264 29 V C 1.780 177.873 176.094 -0.001 0.000 1.135 29 V CA 1.347 63.646 62.300 -0.001 0.000 1.142 29 V CB -0.810 31.013 31.823 -0.001 0.000 0.754 29 V HN 0.518 nan 8.190 nan 0.000 0.484 30 T N -2.263 112.290 114.554 -0.002 0.000 3.176 30 T HA 0.417 4.766 4.350 -0.000 0.000 0.263 30 T C 0.113 174.811 174.700 -0.003 0.000 1.021 30 T CA -0.310 61.788 62.100 -0.004 0.000 0.905 30 T CB 0.019 68.883 68.868 -0.006 0.000 1.057 30 T HN 0.288 nan 8.240 nan 0.000 0.558 31 L N 2.334 123.557 121.223 -0.001 0.000 2.371 31 L HA 0.671 5.011 4.340 -0.000 0.000 0.272 31 L C 0.897 177.769 176.870 0.003 0.000 1.124 31 L CA 1.514 56.355 54.840 0.001 0.000 0.816 31 L CB 0.144 42.205 42.059 0.003 0.000 1.129 31 L HN 0.658 nan 8.230 nan 0.000 0.448 32 G N 4.390 113.191 108.800 0.002 0.000 2.741 32 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.222 32 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.222 32 G C -2.126 172.772 174.900 -0.003 0.000 1.364 32 G CA -0.139 44.962 45.100 0.003 0.000 0.866 32 G HN 0.650 nan 8.290 nan 0.000 0.555 33 P HA 0.217 nan 4.420 nan 0.000 0.245 33 P C 0.944 178.239 177.300 -0.008 0.000 1.199 33 P CA 0.631 63.724 63.100 -0.012 0.000 0.807 33 P CB 0.316 32.003 31.700 -0.022 0.000 1.002 34 K N 0.836 121.235 120.400 -0.001 0.000 2.520 34 K HA 0.242 4.562 4.320 -0.000 0.000 0.205 34 K C 1.099 177.701 176.600 0.003 0.000 1.035 34 K CA -0.076 56.213 56.287 0.003 0.000 1.188 34 K CB -0.247 32.262 32.500 0.015 0.000 0.894 34 K HN 0.103 nan 8.250 nan 0.000 0.497 35 G N 1.220 110.020 108.800 0.000 0.000 2.636 35 G HA2 0.104 4.064 3.960 -0.000 0.000 0.246 35 G HA3 0.104 4.064 3.960 -0.000 0.000 0.246 35 G C 0.070 174.969 174.900 -0.001 0.000 1.216 35 G CA -0.439 44.661 45.100 -0.000 0.000 0.854 35 G HN 0.091 nan 8.290 nan 0.000 0.572 36 R N 0.398 120.897 120.500 -0.001 0.000 2.674 36 R HA 0.313 4.653 4.340 -0.000 0.000 0.266 36 R C -0.288 176.011 176.300 -0.003 0.000 1.016 36 R CA -1.028 55.071 56.100 -0.002 0.000 1.062 36 R CB 0.698 30.997 30.300 -0.001 0.000 1.142 36 R HN 0.483 nan 8.270 nan 0.000 0.517 37 N N 0.304 119.002 118.700 -0.002 0.000 2.514 37 N HA 0.203 4.942 4.740 -0.000 0.000 0.277 37 N C -0.737 174.771 175.510 -0.002 0.000 1.126 37 N CA -0.192 52.856 53.050 -0.003 0.000 0.978 37 N CB 1.514 40.000 38.487 -0.002 0.000 1.106 37 N HN 0.127 nan 8.380 nan 0.000 0.461 38 V N 2.415 122.328 119.914 -0.003 0.000 2.448 38 V HA 0.308 4.428 4.120 -0.000 0.000 0.295 38 V C 0.006 176.099 176.094 -0.001 0.000 1.025 38 V CA -0.814 61.485 62.300 -0.002 0.000 0.859 38 V CB 1.931 33.752 31.823 -0.003 0.000 0.988 38 V HN 0.284 nan 8.190 nan 0.000 0.431 39 V N 6.710 126.624 119.914 -0.000 0.000 2.407 39 V HA 0.471 4.591 4.120 -0.000 0.000 0.278 39 V C -0.166 175.929 176.094 0.002 0.000 1.037 39 V CA -0.441 61.859 62.300 0.001 0.000 0.900 39 V CB 1.360 33.184 31.823 0.001 0.000 0.983 39 V HN 0.615 nan 8.190 nan 0.000 0.459 40 L N 3.737 124.961 121.223 0.003 0.000 2.313 40 L HA 0.541 4.880 4.340 -0.000 0.000 0.283 40 L C -0.289 176.586 176.870 0.008 0.000 1.013 40 L CA -0.559 54.283 54.840 0.004 0.000 0.816 40 L CB 1.740 43.802 42.059 0.004 0.000 1.236 40 L HN 0.532 nan 8.230 nan 0.000 0.419 41 D N 2.947 123.352 120.400 0.008 0.000 2.345 41 D HA 0.301 4.940 4.640 -0.000 0.000 0.247 41 D C -0.663 175.648 176.300 0.019 0.000 1.108 41 D CA 0.121 54.127 54.000 0.010 0.000 0.894 41 D CB 0.990 41.792 40.800 0.004 0.000 1.203 41 D HN 0.340 nan 8.370 nan 0.000 0.430 42 K N 0.768 121.184 120.400 0.027 0.000 2.375 42 K HA 0.250 4.569 4.320 -0.000 0.000 0.249 42 K C 0.968 177.592 176.600 0.040 0.000 0.942 42 K CA -0.622 55.695 56.287 0.050 0.000 0.806 42 K CB 1.803 34.347 32.500 0.074 0.000 1.227 42 K HN 0.440 nan 8.250 nan 0.000 0.430 43 S N 1.314 117.040 115.700 0.043 0.000 2.368 43 S HA -0.060 4.409 4.470 -0.000 0.000 0.224 43 S C 0.603 175.129 174.600 -0.123 0.000 1.029 43 S CA 0.774 58.942 58.200 -0.053 0.000 0.988 43 S CB -0.279 62.871 63.200 -0.083 0.000 0.838 43 S HN 0.415 nan 8.310 nan 0.000 0.462 44 F N 3.393 123.342 119.950 -0.001 0.000 2.404 44 F HA 0.562 5.088 4.527 -0.001 0.000 0.359 44 F C 1.605 177.404 175.800 -0.001 0.000 1.134 44 F CA 0.478 58.478 58.000 -0.001 0.000 1.160 44 F CB 0.432 39.432 39.000 -0.001 0.000 1.186 44 F HN 0.543 nan 8.300 nan 0.000 0.526 45 G N 2.309 111.176 108.800 0.112 0.000 2.550 45 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.277 45 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.277 45 G C 0.008 174.938 174.900 0.050 0.000 1.190 45 G CA -0.460 44.686 45.100 0.078 0.000 0.971 45 G HN 1.032 nan 8.290 nan 0.000 0.559 46 A N 1.682 124.529 122.820 0.046 0.000 2.445 46 A HA 0.651 4.971 4.320 -0.000 0.000 0.242 46 A C -1.328 176.273 177.584 0.029 0.000 1.075 46 A CA 0.250 52.305 52.037 0.029 0.000 0.777 46 A CB -0.179 18.836 19.000 0.024 0.000 1.013 46 A HN 0.711 nan 8.150 nan 0.000 0.493 47 P HA 0.339 nan 4.420 nan 0.000 0.274 47 P C -0.473 176.836 177.300 0.015 0.000 1.237 47 P CA -0.145 62.965 63.100 0.017 0.000 0.793 47 P CB 0.589 32.295 31.700 0.010 0.000 0.977 48 T N 2.113 116.675 114.554 0.013 0.000 2.744 48 T HA 0.470 4.819 4.350 -0.000 0.000 0.291 48 T C 0.327 175.029 174.700 0.005 0.000 0.957 48 T CA -0.232 61.874 62.100 0.009 0.000 1.002 48 T CB -0.153 68.720 68.868 0.009 0.000 0.919 48 T HN 0.172 nan 8.240 nan 0.000 0.468 49 I N 2.972 123.544 120.570 0.003 0.000 2.312 49 I HA 0.509 4.678 4.170 -0.000 0.000 0.290 49 I C 0.570 176.686 176.117 -0.002 0.000 1.008 49 I CA -0.356 60.944 61.300 0.001 0.000 1.226 49 I CB 1.437 39.437 38.000 0.001 0.000 1.371 49 I HN 0.509 nan 8.210 nan 0.000 0.468 50 T N 4.080 118.632 114.554 -0.003 0.000 2.843 50 T HA 0.399 4.748 4.350 -0.000 0.000 0.302 50 T C 0.203 174.899 174.700 -0.007 0.000 1.232 50 T CA -0.583 61.514 62.100 -0.006 0.000 1.009 50 T CB 1.801 70.664 68.868 -0.007 0.000 1.254 50 T HN 0.654 nan 8.240 nan 0.000 0.504 51 K N 0.633 121.028 120.400 -0.008 0.000 2.373 51 K HA 0.173 4.493 4.320 -0.000 0.000 0.200 51 K C -0.318 176.275 176.600 -0.012 0.000 1.054 51 K CA -0.187 56.095 56.287 -0.009 0.000 1.065 51 K CB 0.380 32.875 32.500 -0.009 0.000 0.886 51 K HN 0.486 nan 8.250 nan 0.000 0.546 52 D N 0.821 121.213 120.400 -0.014 0.000 2.349 52 D HA 0.003 4.642 4.640 -0.000 0.000 0.266 52 D C 1.233 177.522 176.300 -0.019 0.000 1.293 52 D CA 0.130 54.118 54.000 -0.019 0.000 0.926 52 D CB 0.961 41.748 40.800 -0.022 0.000 1.090 52 D HN 0.234 nan 8.370 nan 0.000 0.502 53 G N 2.574 111.363 108.800 -0.020 0.000 2.479 53 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 53 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 53 G C 1.430 176.316 174.900 -0.023 0.000 1.115 53 G CA 0.846 45.935 45.100 -0.019 0.000 0.757 53 G HN 0.489 nan 8.290 nan 0.000 0.560 54 V N 0.697 120.593 119.914 -0.029 0.000 2.323 54 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 54 V C 2.958 179.035 176.094 -0.028 0.000 1.041 54 V CA 2.018 64.298 62.300 -0.034 0.000 1.025 54 V CB -0.686 31.111 31.823 -0.043 0.000 0.656 54 V HN 0.321 nan 8.190 nan 0.000 0.451 55 S N 0.254 115.939 115.700 -0.025 0.000 2.399 55 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 55 S C 2.008 176.599 174.600 -0.015 0.000 1.022 55 S CA 1.439 59.627 58.200 -0.020 0.000 0.983 55 S CB -0.171 63.019 63.200 -0.017 0.000 0.803 55 S HN 0.391 nan 8.310 nan 0.000 0.480 56 V N 1.805 121.710 119.914 -0.014 0.000 2.323 56 V HA -0.121 3.998 4.120 -0.000 0.000 0.244 56 V C 2.641 178.728 176.094 -0.012 0.000 1.041 56 V CA 1.539 63.832 62.300 -0.011 0.000 1.025 56 V CB -1.216 30.601 31.823 -0.009 0.000 0.656 56 V HN 0.519 nan 8.190 nan 0.000 0.451 57 A N 0.076 122.887 122.820 -0.015 0.000 1.883 57 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 57 A C 2.373 179.946 177.584 -0.017 0.000 1.186 57 A CA 1.888 53.915 52.037 -0.016 0.000 0.624 57 A CB -0.589 18.399 19.000 -0.021 0.000 0.822 57 A HN 0.454 nan 8.150 nan 0.000 0.444 58 R N -0.599 119.888 120.500 -0.021 0.000 2.139 58 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 58 R C 1.778 178.068 176.300 -0.016 0.000 1.145 58 R CA 1.458 57.545 56.100 -0.022 0.000 0.976 58 R CB -0.252 30.033 30.300 -0.026 0.000 0.866 58 R HN 0.526 nan 8.270 nan 0.000 0.449 59 E N 0.223 120.417 120.200 -0.011 0.000 2.285 59 E HA -0.007 4.342 4.350 -0.000 0.000 0.194 59 E C 0.612 177.209 176.600 -0.005 0.000 0.997 59 E CA 0.281 56.677 56.400 -0.007 0.000 0.845 59 E CB 0.125 29.823 29.700 -0.003 0.000 0.782 59 E HN 0.170 nan 8.360 nan 0.000 0.491 60 I N 1.993 122.559 120.570 -0.007 0.000 2.533 60 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 60 I C 0.422 176.535 176.117 -0.005 0.000 1.109 60 I CA 0.477 61.775 61.300 -0.005 0.000 1.412 60 I CB 0.024 38.022 38.000 -0.004 0.000 1.396 60 I HN -0.009 nan 8.210 nan 0.000 0.543 61 E N 6.982 127.180 120.200 -0.004 0.000 2.428 61 E HA 0.366 4.716 4.350 -0.000 0.000 0.307 61 E C -1.686 174.912 176.600 -0.004 0.000 0.902 61 E CA -0.503 55.894 56.400 -0.006 0.000 0.799 61 E CB 1.379 31.075 29.700 -0.008 0.000 1.351 61 E HN 0.463 nan 8.360 nan 0.000 0.392 62 L N 3.158 124.380 121.223 -0.002 0.000 2.439 62 L HA 0.328 4.668 4.340 -0.000 0.000 0.259 62 L C 1.702 178.572 176.870 -0.000 0.000 1.129 62 L CA -0.116 54.725 54.840 0.002 0.000 0.803 62 L CB 0.951 43.016 42.059 0.010 0.000 1.161 62 L HN 0.724 nan 8.230 nan 0.000 0.462 63 E N 0.499 120.702 120.200 0.004 0.000 2.021 63 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 63 E C 0.119 176.723 176.600 0.006 0.000 0.980 63 E CA 0.452 56.853 56.400 0.003 0.000 0.803 63 E CB 0.202 29.906 29.700 0.006 0.000 0.766 63 E HN 0.706 nan 8.360 nan 0.000 0.449 64 D N 0.703 121.118 120.400 0.024 0.000 2.412 64 D HA -0.061 4.579 4.640 -0.000 0.000 0.257 64 D C 0.946 177.265 176.300 0.031 0.000 1.217 64 D CA 0.076 54.106 54.000 0.050 0.000 0.897 64 D CB 0.716 41.566 40.800 0.083 0.000 1.132 64 D HN -0.059 nan 8.370 nan 0.000 0.493 65 K N 3.278 123.663 120.400 -0.026 0.000 2.074 65 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 65 K C 1.646 178.135 176.600 -0.186 0.000 1.048 65 K CA 1.257 57.453 56.287 -0.152 0.000 0.926 65 K CB -0.311 32.021 32.500 -0.279 0.000 0.713 65 K HN 0.553 nan 8.250 nan 0.000 0.444 66 F N 1.523 121.460 119.950 -0.021 0.000 2.113 66 F HA -0.105 4.421 4.527 -0.000 0.000 0.297 66 F C 2.413 178.203 175.800 -0.017 0.000 1.103 66 F CA 1.157 59.143 58.000 -0.024 0.000 1.248 66 F CB -0.416 38.567 39.000 -0.028 0.000 0.999 66 F HN 0.128 nan 8.300 nan 0.000 0.475 67 E N 0.017 120.321 120.200 0.175 0.000 2.058 67 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 67 E C 1.907 178.537 176.600 0.049 0.000 0.997 67 E CA 1.418 57.873 56.400 0.091 0.000 0.801 67 E CB -0.407 29.333 29.700 0.067 0.000 0.746 67 E HN 0.309 nan 8.360 nan 0.000 0.450 68 N N 0.778 119.493 118.700 0.025 0.000 2.094 68 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 68 N C 1.753 177.261 175.510 -0.003 0.000 1.023 68 N CA 1.554 54.604 53.050 -0.000 0.000 0.857 68 N CB -0.067 38.406 38.487 -0.024 0.000 1.013 68 N HN 0.083 nan 8.380 nan 0.000 0.426 69 M N -0.515 119.080 119.600 -0.008 0.000 2.065 69 M HA -0.074 4.405 4.480 -0.000 0.000 0.259 69 M C 2.242 178.553 176.300 0.017 0.000 1.069 69 M CA 1.900 57.197 55.300 -0.005 0.000 1.110 69 M CB -0.856 31.739 32.600 -0.009 0.000 1.328 69 M HN 0.349 nan 8.290 nan 0.000 0.405 70 G N 0.005 108.827 108.800 0.038 0.000 2.514 70 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.217 70 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.217 70 G C 1.612 176.525 174.900 0.022 0.000 1.198 70 G CA 1.368 46.489 45.100 0.035 0.000 0.780 70 G HN 0.569 nan 8.290 nan 0.000 0.565 71 A N -0.347 122.484 122.820 0.019 0.000 1.892 71 A HA -0.136 4.183 4.320 -0.000 0.000 0.218 71 A C 2.364 179.951 177.584 0.005 0.000 1.188 71 A CA 2.143 54.187 52.037 0.011 0.000 0.631 71 A CB -0.432 18.573 19.000 0.008 0.000 0.822 71 A HN 0.358 nan 8.150 nan 0.000 0.447 72 Q N -1.142 118.659 119.800 0.002 0.000 2.369 72 Q HA -0.006 4.334 4.340 -0.000 0.000 0.206 72 Q C 2.035 178.035 176.000 0.000 0.000 0.963 72 Q CA 0.963 56.763 55.803 -0.004 0.000 0.894 72 Q CB -0.264 28.468 28.738 -0.010 0.000 0.965 72 Q HN 0.790 nan 8.270 nan 0.000 0.475 73 M N -0.247 119.357 119.600 0.007 0.000 2.123 73 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 73 M C 2.163 178.473 176.300 0.016 0.000 1.069 73 M CA 1.286 56.594 55.300 0.013 0.000 1.133 73 M CB -0.105 32.507 32.600 0.019 0.000 1.356 73 M HN 0.116 nan 8.290 nan 0.000 0.415 74 V N -2.267 117.656 119.914 0.015 0.000 2.809 74 V HA -0.132 3.988 4.120 -0.000 0.000 0.256 74 V C 1.950 178.047 176.094 0.005 0.000 1.080 74 V CA 1.433 63.742 62.300 0.016 0.000 1.102 74 V CB -0.970 30.862 31.823 0.016 0.000 0.705 74 V HN 0.416 nan 8.190 nan 0.000 0.475 75 K N 0.108 120.507 120.400 -0.002 0.000 2.097 75 K HA -0.160 4.159 4.320 -0.000 0.000 0.205 75 K C 2.272 178.859 176.600 -0.021 0.000 1.050 75 K CA 1.474 57.753 56.287 -0.013 0.000 0.938 75 K CB -0.133 32.359 32.500 -0.013 0.000 0.718 75 K HN 0.463 nan 8.250 nan 0.000 0.442 76 E N 0.430 120.623 120.200 -0.013 0.000 2.333 76 E HA -0.132 4.217 4.350 -0.000 0.000 0.198 76 E C 1.735 178.317 176.600 -0.029 0.000 1.007 76 E CA 0.864 57.255 56.400 -0.015 0.000 0.845 76 E CB 0.246 29.948 29.700 0.004 0.000 0.766 76 E HN 0.172 nan 8.360 nan 0.000 0.507 77 V N 0.221 120.122 119.914 -0.021 0.000 2.436 77 V HA -0.034 4.085 4.120 -0.000 0.000 0.240 77 V C 2.475 178.501 176.094 -0.114 0.000 1.040 77 V CA 1.174 63.454 62.300 -0.034 0.000 1.052 77 V CB -0.988 30.859 31.823 0.040 0.000 0.707 77 V HN 0.166 nan 8.190 nan 0.000 0.469 78 A N 1.824 124.603 122.820 -0.067 0.000 1.884 78 A HA -0.305 4.014 4.320 -0.000 0.000 0.219 78 A C 2.557 180.075 177.584 -0.110 0.000 1.197 78 A CA 3.154 55.147 52.037 -0.074 0.000 0.637 78 A CB -1.109 17.865 19.000 -0.044 0.000 0.827 78 A HN 0.734 nan 8.150 nan 0.000 0.450 79 S N -0.688 114.951 115.700 -0.102 0.000 2.402 79 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 79 S C 1.809 176.314 174.600 -0.159 0.000 1.021 79 S CA 1.483 59.620 58.200 -0.105 0.000 0.974 79 S CB -0.269 62.888 63.200 -0.072 0.000 0.800 79 S HN 0.618 nan 8.310 nan 0.000 0.484 80 K N 1.068 121.320 120.400 -0.246 0.000 2.186 80 K HA 0.271 4.591 4.320 -0.000 0.000 0.202 80 K C 2.473 178.684 176.600 -0.648 0.000 1.052 80 K CA 0.748 56.786 56.287 -0.415 0.000 0.965 80 K CB -0.356 31.864 32.500 -0.466 0.000 0.746 80 K HN 0.468 nan 8.250 nan 0.000 0.457 81 A N 1.716 124.189 122.820 -0.578 0.000 1.933 81 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 81 A C 1.861 179.330 177.584 -0.192 0.000 1.175 81 A CA 1.858 53.666 52.037 -0.381 0.000 0.628 81 A CB -0.617 18.269 19.000 -0.191 0.000 0.814 81 A HN 0.289 nan 8.150 nan 0.000 0.444 82 N N 0.215 118.817 118.700 -0.163 0.000 2.223 82 N HA -0.141 4.598 4.740 -0.000 0.000 0.185 82 N C 1.030 176.485 175.510 -0.092 0.000 1.016 82 N CA 1.699 54.683 53.050 -0.109 0.000 0.863 82 N CB -0.207 38.221 38.487 -0.099 0.000 0.983 82 N HN 0.410 nan 8.380 nan 0.000 0.429 83 D N -0.582 119.750 120.400 -0.114 0.000 2.183 83 D HA 0.003 4.643 4.640 -0.000 0.000 0.203 83 D C 1.617 177.901 176.300 -0.027 0.000 0.969 83 D CA 0.965 54.923 54.000 -0.069 0.000 0.842 83 D CB -0.231 40.519 40.800 -0.083 0.000 0.957 83 D HN 0.417 nan 8.370 nan 0.000 0.484 84 A N 0.381 123.177 122.820 -0.041 0.000 1.903 84 A HA 0.299 4.619 4.320 -0.000 0.000 0.213 84 A C 2.031 179.651 177.584 0.060 0.000 1.185 84 A CA 1.744 53.805 52.037 0.041 0.000 0.628 84 A CB 0.034 19.101 19.000 0.112 0.000 0.830 84 A HN 0.233 nan 8.150 nan 0.000 0.446 85 A N -3.586 119.260 122.820 0.042 0.000 1.933 85 A HA 0.476 4.796 4.320 -0.000 0.000 0.198 85 A C 1.810 179.440 177.584 0.077 0.000 1.617 85 A CA 1.103 53.184 52.037 0.073 0.000 1.039 85 A CB -0.176 18.858 19.000 0.056 0.000 1.066 85 A HN 1.846 nan 8.150 nan 0.000 0.484 86 G N -0.639 108.152 108.800 -0.015 0.000 2.213 86 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.236 86 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.236 86 G C -0.085 174.764 174.900 -0.085 0.000 0.991 86 G CA 0.579 45.612 45.100 -0.111 0.000 0.629 86 G HN 0.807 nan 8.290 nan 0.000 0.517 87 D N -1.104 119.276 120.400 -0.033 0.000 2.423 87 D HA 0.591 5.231 4.640 -0.000 0.000 0.235 87 D C 1.044 177.335 176.300 -0.014 0.000 1.011 87 D CA 0.778 54.765 54.000 -0.022 0.000 0.963 87 D CB 0.994 41.794 40.800 0.002 0.000 1.349 87 D HN 1.351 nan 8.370 nan 0.000 0.508 88 G N 0.641 109.435 108.800 -0.011 0.000 2.160 88 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.244 88 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.244 88 G C 0.922 175.816 174.900 -0.010 0.000 1.022 88 G CA 1.117 46.216 45.100 -0.002 0.000 0.741 88 G HN 0.722 nan 8.290 nan 0.000 0.508 89 T N -3.465 111.074 114.554 -0.025 0.000 2.896 89 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 89 T C 2.274 176.962 174.700 -0.020 0.000 1.050 89 T CA 2.318 64.398 62.100 -0.033 0.000 1.140 89 T CB -0.406 68.434 68.868 -0.045 0.000 0.877 89 T HN 0.313 nan 8.240 nan 0.000 0.457 90 T N 2.332 116.877 114.554 -0.014 0.000 2.777 90 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 90 T C 2.234 176.934 174.700 0.001 0.000 1.040 90 T CA 1.742 63.837 62.100 -0.007 0.000 1.141 90 T CB -0.870 67.993 68.868 -0.007 0.000 0.868 90 T HN 0.560 nan 8.240 nan 0.000 0.444 91 T N 2.069 116.625 114.554 0.004 0.000 2.867 91 T HA 0.052 4.401 4.350 -0.000 0.000 0.268 91 T C 2.429 177.140 174.700 0.018 0.000 1.057 91 T CA 0.938 63.045 62.100 0.012 0.000 1.136 91 T CB -0.482 68.395 68.868 0.015 0.000 0.874 91 T HN 0.428 nan 8.240 nan 0.000 0.466 92 A N 1.813 124.644 122.820 0.018 0.000 1.873 92 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 92 A C 2.585 180.184 177.584 0.025 0.000 1.186 92 A CA 1.919 53.974 52.037 0.030 0.000 0.616 92 A CB -1.283 17.731 19.000 0.024 0.000 0.823 92 A HN 0.459 nan 8.150 nan 0.000 0.442 93 T N 0.075 114.636 114.554 0.012 0.000 2.867 93 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 93 T C 1.949 176.657 174.700 0.012 0.000 1.057 93 T CA 1.718 63.824 62.100 0.010 0.000 1.136 93 T CB -0.608 68.261 68.868 0.002 0.000 0.874 93 T HN 0.592 nan 8.240 nan 0.000 0.466 94 V N -0.106 119.815 119.914 0.012 0.000 2.548 94 V HA 0.018 4.138 4.120 -0.000 0.000 0.249 94 V C 2.210 178.313 176.094 0.015 0.000 1.055 94 V CA 1.202 63.509 62.300 0.011 0.000 1.065 94 V CB -1.073 30.755 31.823 0.009 0.000 0.681 94 V HN 0.380 nan 8.190 nan 0.000 0.462 95 L N 0.727 121.961 121.223 0.020 0.000 2.023 95 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 95 L C 3.091 179.975 176.870 0.024 0.000 1.073 95 L CA 1.691 56.545 54.840 0.023 0.000 0.745 95 L CB -0.939 41.138 42.059 0.029 0.000 0.900 95 L HN 0.381 nan 8.230 nan 0.000 0.435 96 A N -0.571 122.266 122.820 0.028 0.000 1.903 96 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 96 A C 2.255 179.852 177.584 0.022 0.000 1.191 96 A CA 2.259 54.313 52.037 0.029 0.000 0.638 96 A CB -0.766 18.253 19.000 0.032 0.000 0.823 96 A HN 0.535 nan 8.150 nan 0.000 0.451 97 Q N -0.809 119.002 119.800 0.018 0.000 2.061 97 Q HA -0.160 4.179 4.340 -0.000 0.000 0.204 97 Q C 2.239 178.247 176.000 0.014 0.000 0.984 97 Q CA 1.722 57.534 55.803 0.015 0.000 0.846 97 Q CB -0.334 28.410 28.738 0.012 0.000 0.902 97 Q HN 0.629 nan 8.270 nan 0.000 0.421 98 A N 0.356 123.184 122.820 0.014 0.000 2.015 98 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 98 A C 1.882 179.474 177.584 0.013 0.000 1.163 98 A CA 1.087 53.131 52.037 0.012 0.000 0.646 98 A CB -0.455 18.552 19.000 0.012 0.000 0.806 98 A HN 0.464 nan 8.150 nan 0.000 0.448 99 I N -0.833 119.746 120.570 0.015 0.000 2.333 99 I HA -0.139 4.031 4.170 -0.000 0.000 0.246 99 I C 2.197 178.322 176.117 0.014 0.000 1.106 99 I CA 0.860 62.169 61.300 0.015 0.000 1.411 99 I CB -0.289 37.721 38.000 0.017 0.000 1.082 99 I HN 0.232 nan 8.210 nan 0.000 0.420 100 I N 0.670 121.249 120.570 0.015 0.000 2.163 100 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 100 I C 2.592 178.716 176.117 0.012 0.000 1.081 100 I CA 1.624 62.933 61.300 0.015 0.000 1.353 100 I CB -0.603 37.407 38.000 0.017 0.000 1.054 100 I HN 0.222 nan 8.210 nan 0.000 0.407 101 T N 0.109 114.670 114.554 0.011 0.000 2.684 101 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 101 T C 1.774 176.479 174.700 0.008 0.000 1.036 101 T CA 1.261 63.367 62.100 0.009 0.000 1.148 101 T CB -0.219 68.654 68.868 0.008 0.000 0.863 101 T HN 0.272 nan 8.240 nan 0.000 0.436 102 E N 0.697 120.902 120.200 0.008 0.000 2.216 102 E HA 0.054 4.404 4.350 -0.000 0.000 0.192 102 E C 2.528 179.132 176.600 0.008 0.000 0.988 102 E CA 0.780 57.185 56.400 0.008 0.000 0.834 102 E CB -0.722 28.982 29.700 0.008 0.000 0.772 102 E HN 0.576 nan 8.360 nan 0.000 0.479 103 G N 1.519 110.324 108.800 0.009 0.000 2.434 103 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G C 1.713 176.619 174.900 0.009 0.000 1.202 103 G CA 0.451 45.557 45.100 0.010 0.000 0.788 103 G HN 0.178 nan 8.290 nan 0.000 0.539 104 L N 0.048 121.277 121.223 0.010 0.000 2.127 104 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 104 L C 2.914 179.788 176.870 0.007 0.000 1.089 104 L CA 1.114 55.959 54.840 0.009 0.000 0.757 104 L CB -0.338 41.726 42.059 0.009 0.000 0.899 104 L HN 0.200 nan 8.230 nan 0.000 0.434 105 K N 0.090 120.494 120.400 0.006 0.000 2.063 105 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 105 K C 2.202 178.805 176.600 0.005 0.000 1.048 105 K CA 1.541 57.831 56.287 0.005 0.000 0.928 105 K CB -0.177 32.326 32.500 0.005 0.000 0.713 105 K HN 0.329 nan 8.250 nan 0.000 0.442 106 A N 0.567 123.390 122.820 0.006 0.000 1.929 106 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 106 A C 2.248 179.835 177.584 0.006 0.000 1.176 106 A CA 1.133 53.173 52.037 0.005 0.000 0.628 106 A CB -0.366 18.637 19.000 0.006 0.000 0.816 106 A HN 0.083 nan 8.150 nan 0.000 0.444 107 V N -0.070 119.848 119.914 0.007 0.000 2.358 107 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 107 V C 2.954 179.052 176.094 0.007 0.000 1.047 107 V CA 1.841 64.146 62.300 0.008 0.000 1.035 107 V CB -1.335 30.494 31.823 0.010 0.000 0.658 107 V HN 0.560 nan 8.190 nan 0.000 0.452 108 A N 0.043 122.867 122.820 0.006 0.000 2.015 108 A HA 0.063 4.382 4.320 -0.000 0.000 0.219 108 A C 2.343 179.929 177.584 0.003 0.000 1.163 108 A CA 1.608 53.647 52.037 0.004 0.000 0.646 108 A CB -0.566 18.436 19.000 0.003 0.000 0.806 108 A HN 0.565 nan 8.150 nan 0.000 0.448 109 A N -1.408 121.414 122.820 0.003 0.000 2.066 109 A HA 0.373 4.693 4.320 -0.000 0.000 0.218 109 A C 1.629 179.214 177.584 0.002 0.000 1.157 109 A CA 1.450 53.488 52.037 0.002 0.000 0.670 109 A CB -0.674 18.327 19.000 0.003 0.000 0.804 109 A HN 1.885 nan 8.150 nan 0.000 0.453 110 G N -1.595 107.207 108.800 0.003 0.000 2.468 110 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.143 110 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.143 110 G C -0.275 174.627 174.900 0.003 0.000 1.065 110 G CA -0.024 45.077 45.100 0.003 0.000 0.776 110 G HN 0.287 nan 8.290 nan 0.000 0.486 111 M N -0.056 119.546 119.600 0.004 0.000 2.598 111 M HA 0.352 4.832 4.480 -0.000 0.000 0.317 111 M C 0.418 176.722 176.300 0.006 0.000 1.179 111 M CA -0.763 54.539 55.300 0.005 0.000 0.936 111 M CB 1.789 34.392 32.600 0.005 0.000 1.713 111 M HN 0.222 nan 8.290 nan 0.000 0.460 112 N N 2.000 120.704 118.700 0.006 0.000 2.438 112 N HA 0.096 4.836 4.740 -0.000 0.000 0.267 112 N C -1.987 173.528 175.510 0.008 0.000 1.222 112 N CA -1.310 51.744 53.050 0.007 0.000 0.930 112 N CB 0.955 39.445 38.487 0.005 0.000 1.083 112 N HN 0.277 nan 8.380 nan 0.000 0.476 113 P HA -0.179 nan 4.420 nan 0.000 0.215 113 P C 1.383 178.689 177.300 0.010 0.000 1.153 113 P CA 1.054 64.161 63.100 0.011 0.000 0.853 113 P CB 0.201 31.910 31.700 0.015 0.000 0.788 114 M N -0.672 118.934 119.600 0.010 0.000 2.213 114 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 114 M C 1.130 177.434 176.300 0.006 0.000 1.062 114 M CA 1.670 56.974 55.300 0.008 0.000 1.105 114 M CB -1.354 31.251 32.600 0.008 0.000 1.385 114 M HN -0.052 nan 8.290 nan 0.000 0.417 115 D N -0.041 120.362 120.400 0.005 0.000 2.194 115 D HA -0.004 4.635 4.640 -0.000 0.000 0.204 115 D C 2.178 178.481 176.300 0.004 0.000 0.964 115 D CA 0.762 54.765 54.000 0.004 0.000 0.846 115 D CB -0.032 40.770 40.800 0.004 0.000 0.962 115 D HN 0.318 nan 8.370 nan 0.000 0.490 116 L N 0.625 121.852 121.223 0.006 0.000 2.109 116 L HA -0.100 4.239 4.340 -0.000 0.000 0.207 116 L C 2.465 179.338 176.870 0.006 0.000 1.086 116 L CA 0.922 55.766 54.840 0.006 0.000 0.760 116 L CB -0.189 41.874 42.059 0.007 0.000 0.910 116 L HN -0.046 nan 8.230 nan 0.000 0.437 117 K N 0.548 120.952 120.400 0.006 0.000 2.026 117 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 117 K C 2.278 178.879 176.600 0.002 0.000 1.048 117 K CA 1.357 57.647 56.287 0.005 0.000 0.929 117 K CB 0.018 32.522 32.500 0.006 0.000 0.713 117 K HN 0.183 nan 8.250 nan 0.000 0.439 118 R N -0.360 120.141 120.500 0.002 0.000 2.120 118 R HA -0.089 4.250 4.340 -0.000 0.000 0.234 118 R C 2.431 178.731 176.300 0.000 0.000 1.123 118 R CA 1.227 57.327 56.100 -0.000 0.000 0.975 118 R CB -0.426 29.874 30.300 0.000 0.000 0.866 118 R HN 0.386 nan 8.270 nan 0.000 0.446 119 G N 1.136 109.937 108.800 0.002 0.000 2.418 119 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G C 1.426 176.327 174.900 0.002 0.000 1.158 119 G CA 0.572 45.673 45.100 0.002 0.000 0.771 119 G HN 0.149 nan 8.290 nan 0.000 0.545 120 I N 0.885 121.456 120.570 0.002 0.000 2.142 120 I HA -0.126 4.044 4.170 -0.000 0.000 0.240 120 I C 2.307 178.423 176.117 -0.001 0.000 1.078 120 I CA 1.271 62.572 61.300 0.002 0.000 1.343 120 I CB -0.168 37.834 38.000 0.004 0.000 1.046 120 I HN 0.030 nan 8.210 nan 0.000 0.405 121 D N 0.692 121.090 120.400 -0.004 0.000 2.178 121 D HA -0.197 4.442 4.640 -0.000 0.000 0.201 121 D C 2.085 178.380 176.300 -0.008 0.000 0.980 121 D CA 1.129 55.123 54.000 -0.009 0.000 0.842 121 D CB -0.149 40.644 40.800 -0.012 0.000 0.948 121 D HN 0.287 nan 8.370 nan 0.000 0.472 122 K N 0.553 120.950 120.400 -0.005 0.000 2.103 122 K HA -0.029 4.290 4.320 -0.000 0.000 0.204 122 K C 1.994 178.592 176.600 -0.002 0.000 1.052 122 K CA 0.948 57.233 56.287 -0.004 0.000 0.945 122 K CB 0.062 32.561 32.500 -0.002 0.000 0.722 122 K HN -0.022 nan 8.250 nan 0.000 0.443 123 A N 0.577 123.397 122.820 -0.000 0.000 1.972 123 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 123 A C 2.154 179.738 177.584 0.001 0.000 1.169 123 A CA 1.344 53.383 52.037 0.002 0.000 0.635 123 A CB -0.408 18.595 19.000 0.004 0.000 0.810 123 A HN 0.164 nan 8.150 nan 0.000 0.446 124 V N -0.451 119.461 119.914 -0.002 0.000 2.323 124 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 124 V C 2.715 178.805 176.094 -0.007 0.000 1.041 124 V CA 2.357 64.654 62.300 -0.004 0.000 1.025 124 V CB -1.118 30.700 31.823 -0.009 0.000 0.656 124 V HN 0.597 nan 8.190 nan 0.000 0.451 125 T N 0.591 115.139 114.554 -0.010 0.000 2.803 125 T HA -0.156 4.193 4.350 -0.000 0.000 0.269 125 T C 1.950 176.647 174.700 -0.005 0.000 1.052 125 T CA 1.540 63.634 62.100 -0.010 0.000 1.136 125 T CB -0.354 68.507 68.868 -0.011 0.000 0.864 125 T HN 0.547 nan 8.240 nan 0.000 0.467 126 A N 1.055 123.874 122.820 -0.002 0.000 1.970 126 A HA 0.407 4.727 4.320 -0.000 0.000 0.216 126 A C 2.582 180.168 177.584 0.004 0.000 1.170 126 A CA 1.318 53.356 52.037 0.001 0.000 0.645 126 A CB -0.789 18.212 19.000 0.002 0.000 0.816 126 A HN 0.490 nan 8.150 nan 0.000 0.447 127 A N -0.500 122.322 122.820 0.004 0.000 1.929 127 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 127 A C 2.141 179.729 177.584 0.008 0.000 1.176 127 A CA 1.529 53.571 52.037 0.008 0.000 0.628 127 A CB -0.740 18.265 19.000 0.009 0.000 0.816 127 A HN 0.322 nan 8.150 nan 0.000 0.444 128 V N -0.027 119.890 119.914 0.004 0.000 2.407 128 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 128 V C 2.570 178.667 176.094 0.006 0.000 1.055 128 V CA 2.328 64.631 62.300 0.004 0.000 1.049 128 V CB -0.608 31.213 31.823 -0.003 0.000 0.662 128 V HN 0.601 nan 8.190 nan 0.000 0.455 129 E N 0.302 120.505 120.200 0.004 0.000 2.106 129 E HA -0.203 4.146 4.350 -0.000 0.000 0.192 129 E C 2.121 178.726 176.600 0.008 0.000 0.984 129 E CA 1.229 57.632 56.400 0.005 0.000 0.806 129 E CB -0.164 29.538 29.700 0.003 0.000 0.750 129 E HN 0.603 nan 8.360 nan 0.000 0.458 130 E N -0.635 119.571 120.200 0.009 0.000 2.152 130 E HA -0.081 4.268 4.350 -0.000 0.000 0.192 130 E C 1.754 178.363 176.600 0.014 0.000 0.983 130 E CA 0.435 56.841 56.400 0.011 0.000 0.818 130 E CB -0.201 29.506 29.700 0.012 0.000 0.758 130 E HN 0.212 nan 8.360 nan 0.000 0.467 131 L N 0.735 121.966 121.223 0.014 0.000 2.093 131 L HA -0.079 4.260 4.340 -0.000 0.000 0.208 131 L C 1.843 178.722 176.870 0.016 0.000 1.085 131 L CA 1.657 56.507 54.840 0.016 0.000 0.755 131 L CB -0.169 41.901 42.059 0.017 0.000 0.904 131 L HN 0.001 nan 8.230 nan 0.000 0.435 132 K N -1.003 119.405 120.400 0.013 0.000 2.147 132 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 132 K C 2.001 178.609 176.600 0.013 0.000 1.049 132 K CA 1.175 57.469 56.287 0.013 0.000 0.936 132 K CB -0.256 32.250 32.500 0.010 0.000 0.722 132 K HN 0.408 nan 8.250 nan 0.000 0.446 133 A N 1.003 123.830 122.820 0.013 0.000 1.968 133 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 133 A C 1.934 179.527 177.584 0.015 0.000 1.169 133 A CA 0.809 52.854 52.037 0.013 0.000 0.638 133 A CB -0.266 18.742 19.000 0.012 0.000 0.812 133 A HN 0.211 nan 8.150 nan 0.000 0.446 134 L N -0.449 120.784 121.223 0.017 0.000 2.492 134 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 134 L C 1.098 177.980 176.870 0.020 0.000 1.132 134 L CA 0.081 54.933 54.840 0.020 0.000 0.850 134 L CB 0.007 42.080 42.059 0.023 0.000 0.966 134 L HN 0.351 nan 8.230 nan 0.000 0.454 135 S N -0.328 115.382 115.700 0.018 0.000 2.549 135 S HA 0.178 4.648 4.470 -0.000 0.000 0.279 135 S C -0.196 174.414 174.600 0.016 0.000 1.321 135 S CA -0.482 57.728 58.200 0.017 0.000 1.054 135 S CB 0.890 64.099 63.200 0.016 0.000 0.899 135 S HN 0.003 nan 8.310 nan 0.000 0.497 136 V N 8.578 128.502 119.914 0.015 0.000 2.311 136 V HA 0.353 4.472 4.120 -0.000 0.000 0.275 136 V C -2.101 174.000 176.094 0.012 0.000 1.022 136 V CA -1.791 60.517 62.300 0.014 0.000 0.830 136 V CB 0.836 32.668 31.823 0.015 0.000 1.012 136 V HN 0.745 nan 8.190 nan 0.000 0.452 137 P HA 0.199 nan 4.420 nan 0.000 0.272 137 P C -0.596 176.709 177.300 0.008 0.000 1.223 137 P CA -0.362 62.743 63.100 0.009 0.000 0.784 137 P CB 0.491 32.196 31.700 0.008 0.000 0.923 138 C N 2.366 121.670 119.300 0.006 0.000 2.250 138 C HA 0.303 4.762 4.460 -0.000 0.000 0.319 138 C C 1.618 176.610 174.990 0.003 0.000 1.124 138 C CA 0.265 59.286 59.018 0.005 0.000 1.527 138 C CB -0.739 27.003 27.740 0.005 0.000 2.001 138 C HN 0.589 nan 8.230 nan 0.000 0.435 139 S N 1.402 117.104 115.700 0.003 0.000 2.431 139 S HA 0.022 4.492 4.470 -0.000 0.000 0.210 139 S C 0.648 175.249 174.600 0.001 0.000 1.013 139 S CA 0.285 58.486 58.200 0.002 0.000 0.920 139 S CB -0.140 63.061 63.200 0.002 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.941 122.341 120.400 0.001 0.000 2.362 140 D HA 0.066 4.705 4.640 -0.000 0.000 0.242 140 D C 0.720 177.020 176.300 -0.000 0.000 1.132 140 D CA 0.170 54.170 54.000 0.000 0.000 0.907 140 D CB 0.835 41.635 40.800 0.001 0.000 1.195 140 D HN 0.275 nan 8.370 nan 0.000 0.429 141 S N 0.133 115.833 115.700 -0.001 0.000 2.603 141 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 141 S C 1.372 175.971 174.600 -0.001 0.000 0.972 141 S CA 0.314 58.513 58.200 -0.002 0.000 0.935 141 S CB -0.186 63.012 63.200 -0.003 0.000 0.769 141 S HN 0.585 nan 8.310 nan 0.000 0.536 142 K N 1.023 121.423 120.400 -0.000 0.000 2.166 142 K HA 0.300 4.620 4.320 -0.000 0.000 0.201 142 K C 2.136 178.736 176.600 0.001 0.000 1.052 142 K CA 0.748 57.036 56.287 0.000 0.000 0.969 142 K CB -0.323 32.177 32.500 0.001 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.720 123.541 122.820 0.002 0.000 2.072 143 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 143 A C 1.839 179.424 177.584 0.002 0.000 1.156 143 A CA 0.590 52.629 52.037 0.003 0.000 0.701 143 A CB -0.320 18.682 19.000 0.004 0.000 0.816 143 A HN 0.252 nan 8.150 nan 0.000 0.458 144 I N -0.299 120.272 120.570 0.001 0.000 2.315 144 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 144 I C 2.842 178.959 176.117 0.000 0.000 1.117 144 I CA 0.949 62.249 61.300 0.000 0.000 1.404 144 I CB -0.152 37.847 38.000 -0.002 0.000 1.071 144 I HN 0.338 nan 8.210 nan 0.000 0.419 145 A N 0.034 122.854 122.820 -0.000 0.000 1.969 145 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 145 A C 2.241 179.825 177.584 0.001 0.000 1.169 145 A CA 1.283 53.320 52.037 -0.000 0.000 0.635 145 A CB -0.452 18.547 19.000 -0.001 0.000 0.810 145 A HN 0.447 nan 8.150 nan 0.000 0.445 146 Q N -0.500 119.300 119.800 0.001 0.000 2.119 146 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 146 Q C 2.079 178.080 176.000 0.002 0.000 0.972 146 Q CA 1.598 57.402 55.803 0.001 0.000 0.847 146 Q CB -0.248 28.491 28.738 0.002 0.000 0.903 146 Q HN 0.537 nan 8.270 nan 0.000 0.433 147 V N -0.063 119.853 119.914 0.003 0.000 2.379 147 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 147 V C 2.175 178.272 176.094 0.005 0.000 1.044 147 V CA 1.852 64.155 62.300 0.005 0.000 1.036 147 V CB -0.934 30.893 31.823 0.006 0.000 0.664 147 V HN 0.476 nan 8.190 nan 0.000 0.453 148 G N -0.448 108.355 108.800 0.004 0.000 2.471 148 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 148 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 148 G C 1.617 176.520 174.900 0.004 0.000 1.125 148 G CA 1.376 46.479 45.100 0.005 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.297 115.852 114.554 0.002 0.000 2.770 149 T HA 0.020 4.370 4.350 -0.000 0.000 0.258 149 T C 2.360 177.059 174.700 -0.001 0.000 1.039 149 T CA 0.788 62.888 62.100 0.000 0.000 1.143 149 T CB -0.106 68.761 68.868 -0.001 0.000 0.866 149 T HN 0.268 nan 8.240 nan 0.000 0.428 150 I N 1.319 121.889 120.570 -0.001 0.000 2.546 150 I HA -0.047 4.123 4.170 -0.000 0.000 0.255 150 I C 2.356 178.471 176.117 -0.002 0.000 1.163 150 I CA 0.633 61.931 61.300 -0.003 0.000 1.457 150 I CB -0.300 37.697 38.000 -0.004 0.000 1.092 150 I HN 0.124 nan 8.210 nan 0.000 0.434 151 S N 0.866 116.567 115.700 0.002 0.000 2.453 151 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 151 S C 1.673 176.275 174.600 0.004 0.000 1.005 151 S CA 0.933 59.135 58.200 0.004 0.000 0.949 151 S CB -0.042 63.165 63.200 0.011 0.000 0.774 151 S HN 0.501 nan 8.310 nan 0.000 0.510 152 A N 1.473 124.294 122.820 0.002 0.000 2.708 152 A HA 0.465 4.785 4.320 -0.000 0.000 0.293 152 A C 0.433 178.016 177.584 -0.002 0.000 1.303 152 A CA -0.517 51.521 52.037 0.001 0.000 0.949 152 A CB -0.564 18.437 19.000 0.003 0.000 1.121 152 A HN 0.312 nan 8.150 nan 0.000 0.542 153 N N 0.201 118.899 118.700 -0.004 0.000 2.681 153 N HA -0.203 4.536 4.740 -0.000 0.000 0.259 153 N C 0.197 175.703 175.510 -0.007 0.000 1.066 153 N CA 1.030 54.076 53.050 -0.007 0.000 0.717 153 N CB -1.877 36.606 38.487 -0.007 0.000 0.885 153 N HN 0.548 nan 8.380 nan 0.000 0.547 154 S N -1.110 114.586 115.700 -0.007 0.000 3.533 154 S HA -0.238 4.232 4.470 -0.000 0.000 0.347 154 S C -0.334 174.263 174.600 -0.005 0.000 1.101 154 S CA 0.973 59.169 58.200 -0.006 0.000 1.009 154 S CB -0.810 62.385 63.200 -0.008 0.000 0.916 154 S HN 0.727 nan 8.310 nan 0.000 0.496 155 D N 0.862 121.260 120.400 -0.003 0.000 2.317 155 D HA 0.267 4.907 4.640 -0.000 0.000 0.234 155 D C 0.981 177.280 176.300 -0.002 0.000 1.112 155 D CA -0.343 53.655 54.000 -0.003 0.000 0.840 155 D CB 0.773 41.572 40.800 -0.002 0.000 1.078 155 D HN 0.417 nan 8.370 nan 0.000 0.486 156 E N 1.159 121.358 120.200 -0.002 0.000 2.285 156 E HA -0.059 4.290 4.350 -0.000 0.000 0.194 156 E C 1.323 177.922 176.600 -0.002 0.000 0.997 156 E CA 0.675 57.074 56.400 -0.002 0.000 0.845 156 E CB 0.430 30.129 29.700 -0.002 0.000 0.782 156 E HN 0.475 nan 8.360 nan 0.000 0.491 157 T N 0.573 115.126 114.554 -0.002 0.000 2.867 157 T HA -0.092 4.257 4.350 -0.000 0.000 0.268 157 T C 2.110 176.810 174.700 -0.001 0.000 1.057 157 T CA 0.732 62.831 62.100 -0.002 0.000 1.136 157 T CB -0.063 68.804 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.657 121.571 119.914 -0.000 0.000 2.270 158 V HA -0.027 4.093 4.120 -0.000 0.000 0.245 158 V C 2.951 179.046 176.094 0.000 0.000 1.043 158 V CA 1.936 64.237 62.300 0.001 0.000 1.014 158 V CB -1.404 30.420 31.823 0.002 0.000 0.645 158 V HN 0.564 nan 8.190 nan 0.000 0.447 159 G N -0.604 108.196 108.800 0.000 0.000 2.448 159 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.219 159 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.219 159 G C 1.642 176.541 174.900 -0.001 0.000 1.127 159 G CA 0.933 46.033 45.100 -0.000 0.000 0.766 159 G HN 0.482 nan 8.290 nan 0.000 0.552 160 K N -0.171 120.228 120.400 -0.002 0.000 2.097 160 K HA 0.119 4.439 4.320 -0.000 0.000 0.205 160 K C 2.419 179.017 176.600 -0.003 0.000 1.050 160 K CA 0.532 56.817 56.287 -0.002 0.000 0.938 160 K CB -0.185 32.313 32.500 -0.002 0.000 0.718 160 K HN 0.325 nan 8.250 nan 0.000 0.442 161 L N 0.739 121.960 121.223 -0.003 0.000 2.056 161 L HA -0.145 4.194 4.340 -0.000 0.000 0.207 161 L C 2.257 179.124 176.870 -0.005 0.000 1.078 161 L CA 0.933 55.770 54.840 -0.004 0.000 0.749 161 L CB -0.259 41.798 42.059 -0.003 0.000 0.901 161 L HN 0.181 nan 8.230 nan 0.000 0.433 162 I N -0.201 120.366 120.570 -0.005 0.000 2.179 162 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 162 I C 2.792 178.905 176.117 -0.007 0.000 1.088 162 I CA 1.212 62.508 61.300 -0.007 0.000 1.357 162 I CB -0.563 37.434 38.000 -0.005 0.000 1.051 162 I HN 0.176 nan 8.210 nan 0.000 0.409 163 A N 0.346 123.163 122.820 -0.005 0.000 1.933 163 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 163 A C 2.252 179.832 177.584 -0.006 0.000 1.175 163 A CA 1.706 53.740 52.037 -0.005 0.000 0.628 163 A CB -0.557 18.440 19.000 -0.004 0.000 0.814 163 A HN 0.457 nan 8.150 nan 0.000 0.444 164 E N -0.574 119.622 120.200 -0.006 0.000 2.152 164 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 164 E C 2.258 178.854 176.600 -0.007 0.000 0.983 164 E CA 0.712 57.108 56.400 -0.006 0.000 0.818 164 E CB -0.184 29.513 29.700 -0.005 0.000 0.758 164 E HN 0.630 nan 8.360 nan 0.000 0.467 165 A N 0.887 123.702 122.820 -0.008 0.000 1.929 165 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 165 A C 2.070 179.647 177.584 -0.012 0.000 1.176 165 A CA 0.957 52.987 52.037 -0.010 0.000 0.628 165 A CB -0.258 18.735 19.000 -0.012 0.000 0.816 165 A HN 0.125 nan 8.150 nan 0.000 0.444 166 M N -1.052 118.541 119.600 -0.011 0.000 2.492 166 M HA -0.059 4.420 4.480 -0.000 0.000 0.262 166 M C 1.209 177.504 176.300 -0.009 0.000 1.090 166 M CA 1.170 56.463 55.300 -0.012 0.000 1.110 166 M CB -0.288 32.305 32.600 -0.012 0.000 1.407 166 M HN 0.336 nan 8.290 nan 0.000 0.470 167 D N 0.374 120.770 120.400 -0.008 0.000 2.347 167 D HA -0.049 4.591 4.640 -0.000 0.000 0.213 167 D C 2.001 178.297 176.300 -0.007 0.000 0.985 167 D CA 0.797 54.793 54.000 -0.007 0.000 0.879 167 D CB 0.435 41.232 40.800 -0.005 0.000 0.919 167 D HN 0.033 nan 8.370 nan 0.000 0.526 168 K N -0.458 119.938 120.400 -0.008 0.000 2.121 168 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 168 K C 1.911 178.506 176.600 -0.008 0.000 1.041 168 K CA 0.883 57.165 56.287 -0.008 0.000 0.969 168 K CB 0.025 32.520 32.500 -0.008 0.000 0.799 168 K HN 0.159 nan 8.250 nan 0.000 0.456 169 V N -2.466 117.443 119.914 -0.010 0.000 3.471 169 V HA 0.352 4.472 4.120 -0.000 0.000 0.258 169 V C 0.838 176.926 176.094 -0.010 0.000 1.192 169 V CA 0.441 62.735 62.300 -0.010 0.000 1.116 169 V CB -0.293 31.523 31.823 -0.012 0.000 0.792 169 V HN 0.392 nan 8.190 nan 0.000 0.459 170 G N 0.939 109.733 108.800 -0.010 0.000 2.566 170 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G C 0.003 174.896 174.900 -0.012 0.000 1.292 170 G CA 0.001 45.095 45.100 -0.010 0.000 0.922 170 G HN 0.270 nan 8.290 nan 0.000 0.514 171 K N 0.022 120.415 120.400 -0.011 0.000 2.228 171 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 171 K C 1.824 178.416 176.600 -0.015 0.000 1.051 171 K CA 1.419 57.699 56.287 -0.012 0.000 0.960 171 K CB 0.076 32.571 32.500 -0.009 0.000 0.743 171 K HN 0.466 nan 8.250 nan 0.000 0.458 172 E N 0.653 120.845 120.200 -0.013 0.000 2.447 172 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 172 E C 1.010 177.600 176.600 -0.016 0.000 1.028 172 E CA 0.074 56.466 56.400 -0.013 0.000 0.876 172 E CB 0.214 29.909 29.700 -0.009 0.000 0.885 172 E HN 0.236 nan 8.360 nan 0.000 0.500 173 G N 1.317 110.108 108.800 -0.016 0.000 2.664 173 G HA2 0.212 4.171 3.960 -0.000 0.000 0.242 173 G HA3 0.212 4.171 3.960 -0.000 0.000 0.242 173 G C 0.088 174.974 174.900 -0.023 0.000 1.225 173 G CA -0.433 44.657 45.100 -0.016 0.000 0.849 173 G HN -0.044 nan 8.290 nan 0.000 0.581 174 V N 1.198 121.099 119.914 -0.022 0.000 2.383 174 V HA 0.385 4.505 4.120 -0.000 0.000 0.275 174 V C 0.150 176.226 176.094 -0.030 0.000 1.036 174 V CA -0.211 62.071 62.300 -0.029 0.000 0.889 174 V CB 0.820 32.628 31.823 -0.024 0.000 0.985 174 V HN 0.482 nan 8.190 nan 0.000 0.459 175 I N 4.254 124.801 120.570 -0.039 0.000 2.436 175 I HA 0.599 4.769 4.170 -0.000 0.000 0.289 175 I C -0.044 176.051 176.117 -0.036 0.000 1.010 175 I CA -0.098 61.182 61.300 -0.034 0.000 1.098 175 I CB 2.231 40.210 38.000 -0.035 0.000 1.266 175 I HN 0.561 nan 8.210 nan 0.000 0.434 176 T N 4.571 119.110 114.554 -0.025 0.000 2.900 176 T HA 0.596 4.945 4.350 -0.000 0.000 0.295 176 T C -0.598 174.096 174.700 -0.012 0.000 1.044 176 T CA -0.656 61.433 62.100 -0.019 0.000 0.995 176 T CB 2.512 71.368 68.868 -0.020 0.000 1.072 176 T HN 0.160 nan 8.240 nan 0.000 0.473 177 V N 2.872 122.783 119.914 -0.005 0.000 2.459 177 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 177 V C -0.161 175.933 176.094 -0.001 0.000 1.029 177 V CA -0.631 61.669 62.300 -0.001 0.000 0.874 177 V CB 1.527 33.354 31.823 0.006 0.000 0.985 177 V HN 1.032 nan 8.190 nan 0.000 0.438 178 E N 2.526 122.724 120.200 -0.003 0.000 2.445 178 E HA 0.500 4.850 4.350 -0.000 0.000 0.273 178 E C -1.501 175.096 176.600 -0.004 0.000 0.961 178 E CA -1.125 55.272 56.400 -0.004 0.000 0.807 178 E CB 1.461 31.157 29.700 -0.008 0.000 1.362 178 E HN 0.449 nan 8.360 nan 0.000 0.453 179 D N 0.567 120.964 120.400 -0.005 0.000 2.443 179 D HA 0.155 4.795 4.640 -0.000 0.000 0.239 179 D C 0.165 176.462 176.300 -0.006 0.000 1.136 179 D CA 0.522 54.519 54.000 -0.005 0.000 0.879 179 D CB 1.078 41.874 40.800 -0.005 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.173 108.625 108.800 -0.005 0.000 2.537 180 G HA2 0.274 4.234 3.960 -0.000 0.000 0.273 180 G HA3 0.274 4.234 3.960 -0.000 0.000 0.273 180 G C 1.069 175.965 174.900 -0.005 0.000 1.189 180 G CA -0.234 44.863 45.100 -0.005 0.000 0.881 180 G HN 0.453 nan 8.290 nan 0.000 0.535 181 T N -2.235 112.316 114.554 -0.006 0.000 3.031 181 T HA 0.409 4.759 4.350 -0.000 0.000 0.254 181 T C 1.277 175.974 174.700 -0.005 0.000 1.060 181 T CA 1.131 63.227 62.100 -0.006 0.000 1.135 181 T CB 0.242 69.107 68.868 -0.006 0.000 0.896 181 T HN 0.999 nan 8.240 nan 0.000 0.472 182 G N 0.824 109.621 108.800 -0.004 0.000 3.319 182 G HA2 0.457 4.416 3.960 -0.000 0.000 0.158 182 G HA3 0.457 4.416 3.960 -0.000 0.000 0.158 182 G C -0.219 174.679 174.900 -0.003 0.000 1.205 182 G CA -0.013 45.085 45.100 -0.004 0.000 1.252 182 G HN 0.254 nan 8.290 nan 0.000 0.668 183 L N -0.052 121.169 121.223 -0.003 0.000 2.664 183 L HA 0.551 4.890 4.340 -0.000 0.000 0.233 183 L C 0.564 177.432 176.870 -0.003 0.000 1.113 183 L CA 0.536 55.374 54.840 -0.003 0.000 0.896 183 L CB 0.188 42.245 42.059 -0.003 0.000 1.163 183 L HN 0.408 nan 8.230 nan 0.000 0.497 184 Q N 0.082 119.880 119.800 -0.003 0.000 2.377 184 Q HA 0.286 4.626 4.340 -0.000 0.000 0.271 184 Q C -1.174 174.823 176.000 -0.003 0.000 1.077 184 Q CA -0.881 54.920 55.803 -0.003 0.000 0.820 184 Q CB 1.784 30.520 28.738 -0.003 0.000 1.347 184 Q HN 0.081 nan 8.270 nan 0.000 0.444 185 D N 2.678 123.076 120.400 -0.003 0.000 2.371 185 D HA 0.061 4.701 4.640 -0.000 0.000 0.256 185 D C -0.440 175.858 176.300 -0.004 0.000 1.193 185 D CA 0.585 54.583 54.000 -0.004 0.000 0.881 185 D CB 0.838 41.636 40.800 -0.003 0.000 1.143 185 D HN 0.333 nan 8.370 nan 0.000 0.473 186 E N 0.870 121.068 120.200 -0.005 0.000 2.212 186 E HA 0.563 4.913 4.350 -0.000 0.000 0.270 186 E C -0.727 175.870 176.600 -0.006 0.000 0.956 186 E CA -1.031 55.366 56.400 -0.005 0.000 0.825 186 E CB 2.304 32.001 29.700 -0.006 0.000 1.167 186 E HN 0.109 nan 8.360 nan 0.000 0.400 187 L N 2.701 123.921 121.223 -0.006 0.000 2.555 187 L HA 0.356 4.696 4.340 -0.000 0.000 0.264 187 L C -1.908 174.958 176.870 -0.007 0.000 0.972 187 L CA -0.275 54.562 54.840 -0.007 0.000 0.876 187 L CB 1.305 43.360 42.059 -0.006 0.000 1.216 187 L HN 0.383 nan 8.230 nan 0.000 0.415 188 D N 3.575 123.971 120.400 -0.007 0.000 2.433 188 D HA 0.555 5.195 4.640 -0.000 0.000 0.236 188 D C -0.869 175.426 176.300 -0.008 0.000 1.026 188 D CA -0.288 53.708 54.000 -0.007 0.000 0.884 188 D CB 2.962 43.757 40.800 -0.008 0.000 1.384 188 D HN 0.202 nan 8.370 nan 0.000 0.477 189 V N 1.511 121.420 119.914 -0.008 0.000 2.313 189 V HA 0.306 4.426 4.120 -0.000 0.000 0.278 189 V C 0.320 176.409 176.094 -0.007 0.000 1.017 189 V CA -0.699 61.596 62.300 -0.008 0.000 0.823 189 V CB 1.106 32.924 31.823 -0.007 0.000 1.010 189 V HN 0.416 nan 8.190 nan 0.000 0.443 190 V N 1.636 121.545 119.914 -0.008 0.000 2.850 190 V HA 0.646 4.766 4.120 -0.000 0.000 0.315 190 V C 0.091 176.181 176.094 -0.005 0.000 1.064 190 V CA -0.991 61.305 62.300 -0.007 0.000 0.979 190 V CB 1.922 33.739 31.823 -0.009 0.000 1.039 190 V HN 0.675 nan 8.190 nan 0.000 0.452 191 E N 2.332 122.530 120.200 -0.004 0.000 2.238 191 E HA 0.489 4.839 4.350 -0.000 0.000 0.264 191 E C 0.279 176.880 176.600 0.002 0.000 1.136 191 E CA 0.649 57.048 56.400 -0.002 0.000 0.929 191 E CB 0.718 30.416 29.700 -0.002 0.000 1.010 191 E HN 1.081 nan 8.360 nan 0.000 0.440 192 G N 1.700 110.503 108.800 0.006 0.000 2.721 192 G HA2 0.691 4.651 3.960 -0.000 0.000 0.296 192 G HA3 0.691 4.651 3.960 -0.000 0.000 0.296 192 G C -1.142 173.772 174.900 0.024 0.000 1.383 192 G CA -0.636 44.471 45.100 0.013 0.000 0.788 192 G HN 0.370 nan 8.290 nan 0.000 0.500 193 M N -0.035 119.590 119.600 0.041 0.000 2.520 193 M HA 0.494 4.973 4.480 -0.000 0.000 0.280 193 M C -2.073 174.273 176.300 0.076 0.000 1.232 193 M CA -0.625 54.716 55.300 0.069 0.000 0.892 193 M CB 2.709 35.372 32.600 0.104 0.000 1.728 193 M HN 0.626 nan 8.290 nan 0.000 0.475 194 Q N 3.608 123.451 119.800 0.071 0.000 2.304 194 Q HA 0.623 4.963 4.340 -0.000 0.000 0.270 194 Q C -2.107 173.944 176.000 0.084 0.000 1.035 194 Q CA -0.616 55.186 55.803 -0.003 0.000 0.781 194 Q CB 1.960 30.666 28.738 -0.053 0.000 1.261 194 Q HN 0.588 nan 8.270 nan 0.000 0.444 195 F N 0.174 120.120 119.950 -0.008 0.000 2.561 195 F HA 0.540 5.066 4.527 -0.001 0.000 0.321 195 F C -0.380 175.418 175.800 -0.004 0.000 1.065 195 F CA -1.182 56.814 58.000 -0.007 0.000 0.934 195 F CB 1.111 40.106 39.000 -0.008 0.000 1.215 195 F HN 0.290 nan 8.300 nan 0.000 0.471 196 D N 3.374 123.871 120.400 0.162 0.000 2.713 196 D HA 0.202 4.842 4.640 -0.000 0.000 0.229 196 D C -0.132 176.225 176.300 0.095 0.000 1.136 196 D CA 0.239 54.278 54.000 0.064 0.000 1.010 196 D CB -0.068 40.771 40.800 0.065 0.000 1.084 196 D HN 0.355 nan 8.370 nan 0.000 0.495 197 R N -0.207 120.326 120.500 0.055 0.000 2.740 197 R HA 0.675 5.014 4.340 -0.000 0.000 0.273 197 R C 0.345 176.621 176.300 -0.040 0.000 0.998 197 R CA -0.834 55.320 56.100 0.090 0.000 0.900 197 R CB 2.050 32.541 30.300 0.318 0.000 1.223 197 R HN 0.224 nan 8.270 nan 0.000 0.466 198 G N 0.390 109.157 108.800 -0.054 0.000 3.135 198 G HA2 0.493 4.453 3.960 -0.000 0.000 0.159 198 G HA3 0.493 4.453 3.960 -0.000 0.000 0.159 198 G C -1.089 173.787 174.900 -0.040 0.000 1.244 198 G CA -0.379 44.620 45.100 -0.170 0.000 0.965 198 G HN 0.436 nan 8.290 nan 0.000 0.599 199 Y N -1.018 119.347 120.300 0.110 0.000 2.335 199 Y HA 0.651 5.201 4.550 -0.000 0.000 0.323 199 Y C 0.934 176.949 175.900 0.192 0.000 1.224 199 Y CA -1.462 56.753 58.100 0.192 0.000 1.241 199 Y CB 1.274 39.903 38.460 0.281 0.000 1.235 199 Y HN 0.172 nan 8.280 nan 0.000 0.492 200 L N 1.405 122.920 121.223 0.488 0.000 2.591 200 L HA 0.197 4.537 4.340 -0.000 0.000 0.228 200 L C 0.425 177.462 176.870 0.279 0.000 1.133 200 L CA 0.568 55.614 54.840 0.343 0.000 0.880 200 L CB 0.117 42.358 42.059 0.302 0.000 1.033 200 L HN 0.753 nan 8.230 nan 0.000 0.450 201 S N -1.624 114.226 115.700 0.251 0.000 2.543 201 S HA 0.366 4.836 4.470 -0.000 0.000 0.273 201 S C -2.293 172.100 174.600 -0.345 0.000 1.152 201 S CA -0.862 57.241 58.200 -0.162 0.000 0.910 201 S CB 1.668 64.523 63.200 -0.575 0.000 1.105 201 S HN -0.244 nan 8.310 nan 0.000 0.465 202 P HA 0.077 nan 4.420 nan 0.000 0.233 202 P C 0.299 177.225 177.300 -0.624 0.000 1.167 202 P CA 0.620 63.399 63.100 -0.534 0.000 0.770 202 P CB -0.055 31.462 31.700 -0.304 0.000 0.837 203 Y N -2.379 117.623 120.300 -0.497 0.000 2.490 203 Y HA 0.089 4.639 4.550 0.000 0.000 0.281 203 Y C 1.565 177.283 175.900 -0.303 0.000 1.174 203 Y CA 0.320 58.198 58.100 -0.370 0.000 1.295 203 Y CB -0.796 37.480 38.460 -0.306 0.000 1.062 203 Y HN -0.119 nan 8.280 nan 0.000 0.522 204 F N -0.178 119.713 119.950 -0.098 0.000 2.407 204 F HA -0.025 4.501 4.527 -0.001 0.000 0.299 204 F C 1.040 176.771 175.800 -0.115 0.000 1.097 204 F CA -0.250 57.697 58.000 -0.088 0.000 1.422 204 F CB -0.927 38.019 39.000 -0.090 0.000 1.067 204 F HN -0.173 nan 8.300 nan 0.000 0.539 205 I N 3.251 123.780 120.570 -0.067 0.000 2.769 205 I HA -0.163 4.007 4.170 -0.000 0.000 0.285 205 I C 1.238 177.354 176.117 -0.002 0.000 1.173 205 I CA 0.196 61.454 61.300 -0.071 0.000 1.389 205 I CB 0.093 37.996 38.000 -0.163 0.000 1.404 205 I HN 0.225 nan 8.210 nan 0.000 0.544 206 N N 6.336 125.049 118.700 0.021 0.000 2.356 206 N HA -0.026 4.714 4.740 -0.000 0.000 0.178 206 N C -0.061 175.454 175.510 0.008 0.000 1.075 206 N CA 0.223 53.287 53.050 0.023 0.000 0.889 206 N CB 0.440 38.946 38.487 0.032 0.000 0.999 206 N HN 0.368 nan 8.380 nan 0.000 0.464 207 K N 2.092 122.495 120.400 0.004 0.000 2.414 207 K HA 0.304 4.624 4.320 -0.000 0.000 0.251 207 K C -1.919 174.676 176.600 -0.008 0.000 1.037 207 K CA -1.679 54.607 56.287 -0.001 0.000 0.980 207 K CB 2.267 34.768 32.500 0.003 0.000 1.280 207 K HN 0.004 nan 8.250 nan 0.000 0.451 208 P HA -0.124 nan 4.420 nan 0.000 0.220 208 P C 0.573 177.861 177.300 -0.020 0.000 1.148 208 P CA 1.112 64.198 63.100 -0.023 0.000 0.803 208 P CB 0.551 32.238 31.700 -0.022 0.000 0.782 209 E N -0.256 119.935 120.200 -0.016 0.000 2.072 209 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 209 E C 1.899 178.487 176.600 -0.019 0.000 0.982 209 E CA 1.527 57.916 56.400 -0.018 0.000 0.803 209 E CB -0.637 29.054 29.700 -0.016 0.000 0.755 209 E HN 0.264 nan 8.360 nan 0.000 0.453 210 T N -0.733 113.815 114.554 -0.010 0.000 2.904 210 T HA 0.020 4.369 4.350 -0.000 0.000 0.267 210 T C 1.505 176.207 174.700 0.004 0.000 1.059 210 T CA 0.864 62.961 62.100 -0.004 0.000 1.137 210 T CB -0.140 68.734 68.868 0.009 0.000 0.879 210 T HN 0.432 nan 8.240 nan 0.000 0.467 211 G N 1.329 110.137 108.800 0.013 0.000 2.147 211 G HA2 0.073 4.032 3.960 -0.000 0.000 0.244 211 G HA3 0.073 4.032 3.960 -0.000 0.000 0.244 211 G C 0.034 174.996 174.900 0.105 0.000 1.005 211 G CA -0.005 45.121 45.100 0.043 0.000 0.713 211 G HN 1.042 nan 8.290 nan 0.000 0.515 212 A N -1.285 121.585 122.820 0.083 0.000 2.572 212 A HA 0.806 5.126 4.320 -0.000 0.000 0.295 212 A C -0.401 177.230 177.584 0.079 0.000 1.072 212 A CA -0.137 51.969 52.037 0.115 0.000 0.691 212 A CB 1.801 20.849 19.000 0.081 0.000 1.291 212 A HN 1.301 nan 8.150 nan 0.000 0.404 213 V N 1.850 121.824 119.914 0.101 0.000 2.339 213 V HA 0.255 4.375 4.120 -0.000 0.000 0.261 213 V C 0.344 176.463 176.094 0.042 0.000 1.058 213 V CA -0.078 62.263 62.300 0.068 0.000 0.897 213 V CB 0.303 32.181 31.823 0.091 0.000 1.052 213 V HN 0.867 nan 8.190 nan 0.000 0.480 214 E N 5.021 125.238 120.200 0.027 0.000 2.152 214 E HA 0.559 4.909 4.350 -0.000 0.000 0.285 214 E C -1.167 175.437 176.600 0.006 0.000 1.043 214 E CA -0.375 56.033 56.400 0.013 0.000 0.839 214 E CB 0.782 30.488 29.700 0.010 0.000 1.069 214 E HN 0.627 nan 8.360 nan 0.000 0.399 215 L N 4.333 125.554 121.223 -0.003 0.000 2.446 215 L HA 0.416 4.755 4.340 -0.000 0.000 0.268 215 L C -0.428 176.427 176.870 -0.025 0.000 0.975 215 L CA -0.531 54.302 54.840 -0.011 0.000 0.848 215 L CB 1.802 43.854 42.059 -0.011 0.000 1.225 215 L HN 0.439 nan 8.230 nan 0.000 0.410 216 E N 1.373 121.555 120.200 -0.030 0.000 2.202 216 E HA 0.433 4.783 4.350 -0.000 0.000 0.272 216 E C -0.280 176.278 176.600 -0.070 0.000 0.951 216 E CA -0.751 55.623 56.400 -0.045 0.000 0.813 216 E CB 1.818 31.498 29.700 -0.034 0.000 1.151 216 E HN 0.538 nan 8.360 nan 0.000 0.398 217 S N 1.698 117.337 115.700 -0.101 0.000 3.484 217 S HA -0.114 4.356 4.470 -0.000 0.000 0.384 217 S C -2.457 171.984 174.600 -0.265 0.000 0.932 217 S CA 0.037 58.131 58.200 -0.176 0.000 1.293 217 S CB -1.187 61.924 63.200 -0.147 0.000 0.919 217 S HN 0.355 nan 8.310 nan 0.000 0.540 218 P HA 0.689 nan 4.420 nan 0.000 0.290 218 P C -0.441 176.661 177.300 -0.331 0.000 1.283 218 P CA -0.761 62.213 63.100 -0.210 0.000 0.869 218 P CB 0.572 32.224 31.700 -0.080 0.000 1.100 219 F N 0.836 120.781 119.950 -0.009 0.000 2.421 219 F HA 0.472 4.999 4.527 -0.000 0.000 0.337 219 F C 0.704 176.500 175.800 -0.007 0.000 1.105 219 F CA -0.422 57.574 58.000 -0.007 0.000 1.049 219 F CB 0.861 39.856 39.000 -0.010 0.000 1.139 219 F HN 0.025 nan 8.300 nan 0.000 0.479 220 I N 4.120 124.795 120.570 0.175 0.000 2.441 220 I HA 0.435 4.605 4.170 -0.000 0.000 0.295 220 I C -0.833 175.335 176.117 0.086 0.000 0.994 220 I CA -0.645 60.715 61.300 0.099 0.000 1.144 220 I CB 1.859 39.897 38.000 0.064 0.000 1.314 220 I HN 0.468 nan 8.210 nan 0.000 0.445 221 L N 6.650 127.908 121.223 0.057 0.000 2.333 221 L HA 0.708 5.048 4.340 -0.000 0.000 0.269 221 L C -1.571 175.311 176.870 0.020 0.000 1.010 221 L CA -0.622 54.239 54.840 0.035 0.000 0.818 221 L CB 1.907 43.981 42.059 0.025 0.000 1.306 221 L HN 0.437 nan 8.230 nan 0.000 0.430 222 L N 3.444 124.673 121.223 0.010 0.000 2.422 222 L HA 0.943 5.283 4.340 -0.000 0.000 0.264 222 L C -0.914 175.954 176.870 -0.003 0.000 0.984 222 L CA -0.183 54.656 54.840 -0.003 0.000 0.819 222 L CB 2.057 44.110 42.059 -0.010 0.000 1.330 222 L HN 0.661 nan 8.230 nan 0.000 0.410 223 A N 0.839 123.655 122.820 -0.007 0.000 2.566 223 A HA 0.585 4.905 4.320 -0.000 0.000 0.297 223 A C -0.984 176.596 177.584 -0.006 0.000 1.059 223 A CA -0.380 51.655 52.037 -0.003 0.000 0.691 223 A CB 1.440 20.443 19.000 0.005 0.000 1.282 223 A HN 0.713 nan 8.150 nan 0.000 0.401 224 D N 0.366 120.764 120.400 -0.004 0.000 2.559 224 D HA 0.359 4.999 4.640 -0.000 0.000 0.234 224 D C -0.050 176.254 176.300 0.006 0.000 1.226 224 D CA 0.305 54.303 54.000 -0.003 0.000 0.830 224 D CB -0.071 40.725 40.800 -0.007 0.000 1.028 224 D HN 0.607 nan 8.370 nan 0.000 0.492 225 K N -1.771 118.635 120.400 0.010 0.000 2.555 225 K HA 0.429 4.749 4.320 -0.000 0.000 0.279 225 K C -1.208 175.404 176.600 0.020 0.000 0.986 225 K CA -0.980 55.316 56.287 0.015 0.000 0.880 225 K CB 0.959 33.467 32.500 0.013 0.000 1.474 225 K HN -0.272 nan 8.250 nan 0.000 0.433 226 K N 1.507 121.921 120.400 0.024 0.000 2.312 226 K HA 0.328 4.648 4.320 -0.000 0.000 0.287 226 K C -0.541 176.075 176.600 0.027 0.000 1.062 226 K CA -0.286 56.018 56.287 0.029 0.000 0.934 226 K CB 0.299 32.818 32.500 0.031 0.000 1.027 226 K HN 0.453 nan 8.250 nan 0.000 0.478 227 I N 1.563 122.151 120.570 0.030 0.000 2.385 227 I HA 0.110 4.280 4.170 -0.000 0.000 0.294 227 I C 0.491 176.627 176.117 0.032 0.000 0.988 227 I CA -0.025 61.292 61.300 0.028 0.000 1.265 227 I CB 1.755 39.771 38.000 0.028 0.000 1.388 227 I HN 0.534 nan 8.210 nan 0.000 0.480 228 S N 3.514 119.230 115.700 0.027 0.000 3.101 228 S HA 0.269 4.739 4.470 -0.000 0.000 0.252 228 S C -0.446 174.168 174.600 0.023 0.000 0.920 228 S CA -0.496 57.721 58.200 0.028 0.000 1.158 228 S CB -0.112 63.104 63.200 0.026 0.000 1.125 228 S HN 0.688 nan 8.310 nan 0.000 0.608 229 N N 0.847 119.559 118.700 0.021 0.000 2.352 229 N HA 0.498 5.238 4.740 -0.000 0.000 0.291 229 N C -0.033 175.487 175.510 0.016 0.000 1.040 229 N CA -0.478 52.582 53.050 0.017 0.000 0.864 229 N CB 1.833 40.327 38.487 0.013 0.000 1.440 229 N HN 0.043 nan 8.380 nan 0.000 0.483 230 I N 1.047 121.627 120.570 0.016 0.000 3.783 230 I HA 0.155 4.324 4.170 -0.000 0.000 0.310 230 I C 1.984 178.106 176.117 0.008 0.000 1.274 230 I CA 0.308 61.617 61.300 0.014 0.000 1.294 230 I CB 0.237 38.248 38.000 0.017 0.000 1.051 230 I HN 0.482 nan 8.210 nan 0.000 0.435 231 R N 0.844 121.348 120.500 0.007 0.000 2.153 231 R HA -0.049 4.290 4.340 -0.000 0.000 0.218 231 R C 0.937 177.238 176.300 0.002 0.000 1.072 231 R CA 1.010 57.112 56.100 0.004 0.000 0.990 231 R CB 0.160 30.462 30.300 0.004 0.000 0.889 231 R HN 0.390 nan 8.270 nan 0.000 0.452 232 E N -0.472 119.730 120.200 0.003 0.000 2.451 232 E HA 0.120 4.469 4.350 -0.000 0.000 0.194 232 E C -0.245 176.355 176.600 0.000 0.000 1.027 232 E CA -0.029 56.372 56.400 0.001 0.000 0.914 232 E CB 0.702 30.404 29.700 0.003 0.000 1.054 232 E HN 0.192 nan 8.360 nan 0.000 0.461 233 M N 1.236 120.837 119.600 0.000 0.000 3.269 233 M HA 0.235 4.715 4.480 -0.000 0.000 0.340 233 M C 0.090 176.387 176.300 -0.004 0.000 1.662 233 M CA 0.107 55.406 55.300 -0.002 0.000 0.547 233 M CB 0.822 33.425 32.600 0.005 0.000 1.449 233 M HN 0.127 nan 8.290 nan 0.000 0.459 234 L N 0.806 122.024 121.223 -0.009 0.000 2.653 234 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 234 L C -0.628 176.230 176.870 -0.020 0.000 1.055 234 L CA 0.217 55.050 54.840 -0.012 0.000 0.880 234 L CB -0.153 41.901 42.059 -0.009 0.000 1.195 234 L HN 0.221 nan 8.230 nan 0.000 0.492 235 P HA -0.051 nan 4.420 nan 0.000 0.234 235 P C 1.507 178.780 177.300 -0.045 0.000 1.167 235 P CA 0.846 63.927 63.100 -0.031 0.000 0.763 235 P CB 0.156 31.840 31.700 -0.027 0.000 0.835 236 V N -0.076 119.813 119.914 -0.042 0.000 2.548 236 V HA -0.121 3.999 4.120 -0.000 0.000 0.249 236 V C 2.035 178.089 176.094 -0.067 0.000 1.055 236 V CA 1.300 63.566 62.300 -0.057 0.000 1.065 236 V CB -0.858 30.942 31.823 -0.038 0.000 0.681 236 V HN 0.075 nan 8.190 nan 0.000 0.462 237 L N 0.351 121.546 121.223 -0.047 0.000 2.888 237 L HA 0.254 4.594 4.340 -0.000 0.000 0.237 237 L C 1.297 178.140 176.870 -0.045 0.000 1.288 237 L CA 0.248 55.062 54.840 -0.043 0.000 1.110 237 L CB -0.134 41.911 42.059 -0.023 0.000 1.441 237 L HN 0.267 nan 8.230 nan 0.000 0.474 238 E N -0.456 119.708 120.200 -0.061 0.000 2.603 238 E HA 0.216 4.566 4.350 -0.000 0.000 0.218 238 E C 1.379 177.933 176.600 -0.076 0.000 0.878 238 E CA 0.499 56.865 56.400 -0.055 0.000 1.348 238 E CB 1.110 30.785 29.700 -0.043 0.000 1.318 238 E HN 0.330 nan 8.360 nan 0.000 0.673 239 A N 0.555 123.305 122.820 -0.116 0.000 2.324 239 A HA 0.225 4.544 4.320 -0.000 0.000 0.220 239 A C 1.902 179.325 177.584 -0.269 0.000 1.209 239 A CA 0.146 52.085 52.037 -0.164 0.000 0.918 239 A CB 0.386 19.283 19.000 -0.171 0.000 0.959 239 A HN 0.018 nan 8.150 nan 0.000 0.507 240 V N -0.805 118.961 119.914 -0.247 0.000 2.825 240 V HA 0.095 4.215 4.120 -0.000 0.000 0.246 240 V C 2.358 178.390 176.094 -0.103 0.000 1.068 240 V CA 1.579 63.711 62.300 -0.280 0.000 1.088 240 V CB 0.192 31.891 31.823 -0.206 0.000 0.733 240 V HN 0.497 nan 8.190 nan 0.000 0.468 241 A N -0.783 121.996 122.820 -0.068 0.000 2.308 241 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 241 A C 2.020 179.592 177.584 -0.021 0.000 1.216 241 A CA 0.302 52.324 52.037 -0.024 0.000 0.864 241 A CB -0.176 18.813 19.000 -0.018 0.000 0.902 241 A HN 0.390 nan 8.150 nan 0.000 0.499 242 K N -0.123 120.254 120.400 -0.039 0.000 2.103 242 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 242 K C 1.754 178.352 176.600 -0.002 0.000 1.052 242 K CA 1.298 57.569 56.287 -0.026 0.000 0.945 242 K CB -0.086 32.388 32.500 -0.043 0.000 0.722 242 K HN 0.401 nan 8.250 nan 0.000 0.443 243 A N -0.343 122.485 122.820 0.014 0.000 2.055 243 A HA 0.305 4.625 4.320 -0.000 0.000 0.205 243 A C 0.712 178.331 177.584 0.057 0.000 1.235 243 A CA 0.719 52.784 52.037 0.046 0.000 0.822 243 A CB 0.601 19.651 19.000 0.084 0.000 0.903 243 A HN 0.370 nan 8.150 nan 0.000 0.473 244 G N 0.073 108.914 108.800 0.068 0.000 3.043 244 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.239 244 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.239 244 G C -0.614 174.349 174.900 0.105 0.000 1.042 244 G CA 0.002 45.142 45.100 0.067 0.000 1.189 244 G HN 0.477 nan 8.290 nan 0.000 0.578 245 K N 0.969 121.471 120.400 0.170 0.000 2.477 245 K HA 0.632 4.952 4.320 -0.000 0.000 0.255 245 K C -2.405 174.324 176.600 0.215 0.000 0.952 245 K CA -2.002 54.416 56.287 0.218 0.000 0.826 245 K CB 3.239 35.975 32.500 0.394 0.000 1.331 245 K HN 0.181 nan 8.250 nan 0.000 0.437 246 P HA 0.115 nan 4.420 nan 0.000 0.273 246 P C -1.119 176.289 177.300 0.179 0.000 1.250 246 P CA -0.519 62.646 63.100 0.107 0.000 0.793 246 P CB 0.614 32.340 31.700 0.042 0.000 1.011 247 L N 1.236 122.520 121.223 0.101 0.000 2.362 247 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 247 L C -1.411 175.472 176.870 0.022 0.000 1.002 247 L CA -0.929 53.972 54.840 0.101 0.000 0.818 247 L CB 1.727 43.813 42.059 0.044 0.000 1.298 247 L HN 0.241 nan 8.230 nan 0.000 0.420 248 L N 5.341 126.589 121.223 0.042 0.000 2.436 248 L HA 0.664 5.004 4.340 -0.000 0.000 0.268 248 L C -1.668 175.209 176.870 0.012 0.000 0.974 248 L CA -0.340 54.500 54.840 -0.001 0.000 0.826 248 L CB 1.864 43.934 42.059 0.019 0.000 1.291 248 L HN 0.449 nan 8.230 nan 0.000 0.406 249 I N 6.723 127.283 120.570 -0.018 0.000 2.330 249 I HA 0.347 4.516 4.170 -0.000 0.000 0.289 249 I C -0.266 175.870 176.117 0.032 0.000 1.001 249 I CA -0.242 61.061 61.300 0.005 0.000 1.193 249 I CB 1.270 39.264 38.000 -0.010 0.000 1.345 249 I HN 0.586 nan 8.210 nan 0.000 0.461 250 I N 5.858 126.453 120.570 0.041 0.000 2.479 250 I HA 0.497 4.666 4.170 -0.000 0.000 0.279 250 I C 0.492 176.617 176.117 0.013 0.000 1.102 250 I CA -0.102 61.226 61.300 0.046 0.000 1.196 250 I CB 0.723 38.754 38.000 0.051 0.000 1.427 250 I HN 0.650 nan 8.210 nan 0.000 0.503 251 A N 3.535 126.369 122.820 0.023 0.000 2.414 251 A HA 0.487 4.807 4.320 -0.000 0.000 0.278 251 A C 0.963 178.558 177.584 0.019 0.000 1.228 251 A CA -0.463 51.583 52.037 0.014 0.000 0.857 251 A CB 1.276 20.290 19.000 0.022 0.000 1.389 251 A HN 0.555 nan 8.150 nan 0.000 0.452 252 E N -0.791 119.420 120.200 0.019 0.000 2.047 252 E HA -0.095 4.254 4.350 -0.000 0.000 0.191 252 E C -0.330 176.298 176.600 0.047 0.000 0.987 252 E CA 1.295 57.712 56.400 0.028 0.000 0.799 252 E CB 0.167 29.882 29.700 0.026 0.000 0.752 252 E HN 0.595 nan 8.360 nan 0.000 0.449 253 D N -1.677 118.753 120.400 0.050 0.000 2.694 253 D HA 0.164 4.803 4.640 -0.000 0.000 0.260 253 D C -1.783 174.555 176.300 0.064 0.000 1.250 253 D CA -0.455 53.584 54.000 0.064 0.000 0.763 253 D CB 2.096 42.933 40.800 0.062 0.000 1.311 253 D HN -0.121 nan 8.370 nan 0.000 0.420 254 V N 2.310 122.273 119.914 0.081 0.000 2.444 254 V HA 0.493 4.613 4.120 -0.000 0.000 0.294 254 V C 0.027 176.171 176.094 0.084 0.000 1.022 254 V CA -0.381 61.968 62.300 0.081 0.000 0.850 254 V CB 1.745 33.627 31.823 0.099 0.000 0.992 254 V HN 0.485 nan 8.190 nan 0.000 0.426 255 E N 1.951 122.190 120.200 0.065 0.000 2.431 255 E HA 0.757 5.107 4.350 -0.000 0.000 0.240 255 E C 0.626 177.254 176.600 0.047 0.000 0.867 255 E CA -0.176 56.258 56.400 0.057 0.000 0.888 255 E CB 2.170 31.898 29.700 0.047 0.000 1.739 255 E HN 0.872 nan 8.360 nan 0.000 0.413 256 G N 1.077 109.900 108.800 0.038 0.000 2.543 256 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.286 256 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.286 256 G C 0.682 175.600 174.900 0.029 0.000 1.153 256 G CA 0.832 45.950 45.100 0.030 0.000 0.968 256 G HN 0.597 nan 8.290 nan 0.000 0.544 257 E N 0.621 120.837 120.200 0.027 0.000 2.250 257 E HA 0.402 4.751 4.350 -0.000 0.000 0.192 257 E C 2.705 179.325 176.600 0.032 0.000 0.986 257 E CA 1.099 57.514 56.400 0.024 0.000 0.849 257 E CB -0.224 29.487 29.700 0.018 0.000 0.797 257 E HN 0.814 nan 8.360 nan 0.000 0.482 258 A N 0.498 123.343 122.820 0.041 0.000 2.209 258 A HA -0.042 4.278 4.320 -0.000 0.000 0.212 258 A C 1.878 179.511 177.584 0.081 0.000 1.158 258 A CA 0.326 52.398 52.037 0.058 0.000 0.742 258 A CB -0.265 18.769 19.000 0.057 0.000 0.790 258 A HN 0.315 nan 8.150 nan 0.000 0.472 259 L N -1.027 120.236 121.223 0.067 0.000 2.044 259 L HA 0.101 4.441 4.340 -0.000 0.000 0.205 259 L C 2.095 178.997 176.870 0.053 0.000 1.075 259 L CA 2.138 57.020 54.840 0.071 0.000 0.747 259 L CB -0.143 41.949 42.059 0.054 0.000 0.903 259 L HN 0.275 nan 8.230 nan 0.000 0.435 260 A N -2.993 119.847 122.820 0.034 0.000 2.594 260 A HA 0.335 4.655 4.320 -0.000 0.000 0.287 260 A C 1.200 178.787 177.584 0.005 0.000 1.227 260 A CA 0.431 52.475 52.037 0.012 0.000 0.952 260 A CB -0.206 18.797 19.000 0.005 0.000 1.161 260 A HN 0.373 nan 8.150 nan 0.000 0.524 261 T N -0.844 113.724 114.554 0.023 0.000 2.964 261 T HA 0.179 4.529 4.350 -0.000 0.000 0.250 261 T C 1.377 176.101 174.700 0.040 0.000 0.982 261 T CA 0.092 62.204 62.100 0.019 0.000 0.959 261 T CB -0.132 68.747 68.868 0.018 0.000 1.141 261 T HN 0.263 nan 8.240 nan 0.000 0.494 262 L N 1.561 122.833 121.223 0.082 0.000 2.551 262 L HA 0.081 4.421 4.340 -0.000 0.000 0.228 262 L C 2.059 179.042 176.870 0.190 0.000 1.153 262 L CA 0.383 55.314 54.840 0.151 0.000 0.851 262 L CB -0.339 41.849 42.059 0.214 0.000 0.959 262 L HN 0.156 nan 8.230 nan 0.000 0.451 263 V N -1.437 118.512 119.914 0.058 0.000 2.599 263 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 263 V C 2.160 178.197 176.094 -0.094 0.000 1.046 263 V CA 0.838 63.102 62.300 -0.061 0.000 1.065 263 V CB 0.377 32.126 31.823 -0.124 0.000 0.703 263 V HN 0.187 nan 8.190 nan 0.000 0.464 264 V N 0.298 120.168 119.914 -0.072 0.000 3.041 264 V HA -0.046 4.074 4.120 -0.000 0.000 0.260 264 V C 1.517 177.589 176.094 -0.036 0.000 1.105 264 V CA 1.179 63.429 62.300 -0.083 0.000 1.125 264 V CB -0.876 30.906 31.823 -0.069 0.000 0.730 264 V HN 0.592 nan 8.190 nan 0.000 0.479 265 N N 0.464 119.169 118.700 0.009 0.000 2.375 265 N HA 0.008 4.748 4.740 -0.000 0.000 0.220 265 N C 1.249 176.793 175.510 0.056 0.000 1.170 265 N CA 0.875 53.944 53.050 0.031 0.000 0.833 265 N CB 0.432 38.947 38.487 0.046 0.000 1.069 265 N HN 0.711 nan 8.380 nan 0.000 0.479 266 T N -3.777 110.804 114.554 0.045 0.000 3.105 266 T HA 0.112 4.462 4.350 -0.000 0.000 0.257 266 T C 1.661 176.376 174.700 0.024 0.000 0.949 266 T CA -0.288 61.855 62.100 0.071 0.000 0.959 266 T CB 0.080 69.044 68.868 0.159 0.000 1.205 266 T HN -0.042 nan 8.240 nan 0.000 0.496 267 M N 0.864 120.447 119.600 -0.028 0.000 2.254 267 M HA 0.123 4.603 4.480 -0.000 0.000 0.265 267 M C 2.458 178.737 176.300 -0.036 0.000 1.066 267 M CA 1.149 56.421 55.300 -0.048 0.000 1.123 267 M CB -0.054 32.472 32.600 -0.123 0.000 1.388 267 M HN 0.153 nan 8.290 nan 0.000 0.425 268 R N -0.733 119.747 120.500 -0.033 0.000 2.062 268 R HA 0.023 4.363 4.340 -0.000 0.000 0.226 268 R C 1.476 177.768 176.300 -0.013 0.000 1.125 268 R CA 1.374 57.459 56.100 -0.025 0.000 0.966 268 R CB -0.054 30.232 30.300 -0.024 0.000 0.861 268 R HN 0.610 nan 8.270 nan 0.000 0.433 269 G N 0.118 108.916 108.800 -0.002 0.000 2.273 269 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.162 269 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.162 269 G C 0.117 175.023 174.900 0.010 0.000 1.006 269 G CA -0.562 44.541 45.100 0.005 0.000 0.704 269 G HN 0.130 nan 8.290 nan 0.000 0.487 270 I N 2.468 123.043 120.570 0.009 0.000 2.372 270 I HA 0.383 4.552 4.170 -0.000 0.000 0.298 270 I C 0.796 176.924 176.117 0.017 0.000 1.137 270 I CA -0.428 60.878 61.300 0.010 0.000 1.314 270 I CB 0.462 38.465 38.000 0.005 0.000 1.444 270 I HN 0.087 nan 8.210 nan 0.000 0.541 271 V N 4.651 124.577 119.914 0.019 0.000 3.683 271 V HA -0.226 3.894 4.120 -0.000 0.000 0.493 271 V C 0.375 176.489 176.094 0.033 0.000 0.682 271 V CA 0.346 62.661 62.300 0.025 0.000 2.008 271 V CB -1.196 30.636 31.823 0.015 0.000 2.427 271 V HN 0.760 nan 8.190 nan 0.000 0.505 272 K N 4.125 124.546 120.400 0.036 0.000 2.436 272 K HA 0.460 4.780 4.320 -0.000 0.000 0.282 272 K C -0.220 176.387 176.600 0.012 0.000 1.044 272 K CA 0.182 56.492 56.287 0.038 0.000 1.028 272 K CB 0.863 33.384 32.500 0.034 0.000 0.919 272 K HN 0.557 nan 8.250 nan 0.000 0.474 273 V N 1.964 121.878 119.914 0.001 0.000 2.667 273 V HA 0.857 4.977 4.120 -0.000 0.000 0.308 273 V C -0.478 175.338 176.094 -0.463 0.000 1.048 273 V CA -1.008 61.221 62.300 -0.119 0.000 0.928 273 V CB 1.707 33.519 31.823 -0.019 0.000 1.004 273 V HN 0.794 nan 8.190 nan 0.000 0.444 274 A N 2.808 125.261 122.820 -0.611 0.000 2.513 274 A HA 0.912 5.232 4.320 -0.000 0.000 0.296 274 A C -0.778 176.489 177.584 -0.529 0.000 1.052 274 A CA -0.030 51.458 52.037 -0.916 0.000 0.714 274 A CB 1.606 20.365 19.000 -0.401 0.000 1.279 274 A HN 1.677 nan 8.150 nan 0.000 0.397 275 A N 1.660 124.187 122.820 -0.489 0.000 2.374 275 A HA 0.825 5.145 4.320 -0.000 0.000 0.305 275 A C 0.068 177.705 177.584 0.089 0.000 1.053 275 A CA -0.008 51.974 52.037 -0.091 0.000 0.726 275 A CB 0.990 19.986 19.000 -0.007 0.000 1.229 275 A HN 2.225 nan 8.150 nan 0.000 0.431 276 V N 0.147 120.128 119.914 0.112 0.000 3.547 276 V HA 0.698 4.818 4.120 -0.000 0.000 0.289 276 V C 0.012 176.199 176.094 0.155 0.000 1.226 276 V CA -0.914 61.488 62.300 0.170 0.000 0.966 276 V CB 0.543 32.510 31.823 0.240 0.000 1.255 276 V HN 0.844 nan 8.190 nan 0.000 0.466 277 K N 0.068 120.574 120.400 0.176 0.000 2.245 277 K HA 0.822 5.142 4.320 -0.000 0.000 0.234 277 K C -0.708 175.938 176.600 0.076 0.000 1.021 277 K CA -0.335 56.026 56.287 0.124 0.000 0.898 277 K CB 1.750 34.322 32.500 0.120 0.000 1.163 277 K HN 1.002 nan 8.250 nan 0.000 0.459 278 A N 2.469 125.300 122.820 0.018 0.000 2.258 278 A HA 0.387 4.707 4.320 -0.000 0.000 0.316 278 A C -2.382 175.161 177.584 -0.069 0.000 1.279 278 A CA -1.722 50.273 52.037 -0.071 0.000 0.876 278 A CB 0.086 19.052 19.000 -0.056 0.000 1.170 278 A HN 0.386 nan 8.150 nan 0.000 0.520 279 P HA 0.410 nan 4.420 nan 0.000 0.265 279 P C 0.509 177.739 177.300 -0.117 0.000 1.222 279 P CA 1.179 64.223 63.100 -0.094 0.000 0.767 279 P CB 0.671 32.280 31.700 -0.152 0.000 0.801 280 G N 2.745 111.489 108.800 -0.094 0.000 2.331 280 G HA2 0.096 4.056 3.960 -0.000 0.000 0.402 280 G HA3 0.096 4.056 3.960 -0.000 0.000 0.402 280 G C -0.421 174.398 174.900 -0.135 0.000 1.275 280 G CA -0.328 44.606 45.100 -0.277 0.000 1.003 280 G HN 0.361 nan 8.290 nan 0.000 0.500 281 F N -2.848 117.115 119.950 0.021 0.000 2.953 281 F HA 0.616 5.143 4.527 -0.001 0.000 0.382 281 F C 1.400 177.207 175.800 0.011 0.000 0.965 281 F CA 0.651 58.660 58.000 0.014 0.000 1.081 281 F CB 0.401 39.409 39.000 0.013 0.000 1.132 281 F HN 1.659 nan 8.300 nan 0.000 0.567 282 G N 0.139 108.938 108.800 -0.002 0.000 4.308 282 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.198 282 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.198 282 G C 0.253 175.136 174.900 -0.029 0.000 0.980 282 G CA 0.410 45.538 45.100 0.046 0.000 0.961 282 G HN 0.048 nan 8.290 nan 0.000 0.318 283 D N 0.890 121.254 120.400 -0.060 0.000 2.149 283 D HA 0.062 4.702 4.640 -0.000 0.000 0.206 283 D C 2.445 178.684 176.300 -0.103 0.000 0.967 283 D CA 1.189 55.165 54.000 -0.040 0.000 0.848 283 D CB -0.028 40.800 40.800 0.047 0.000 0.998 283 D HN 0.511 nan 8.370 nan 0.000 0.474 284 R N 0.129 120.492 120.500 -0.228 0.000 2.310 284 R HA 0.232 4.572 4.340 -0.000 0.000 0.202 284 R C 1.774 177.946 176.300 -0.212 0.000 0.933 284 R CA 0.235 56.208 56.100 -0.212 0.000 1.054 284 R CB 0.144 30.306 30.300 -0.230 0.000 0.985 284 R HN 0.013 nan 8.270 nan 0.000 0.489 285 R N 1.458 121.835 120.500 -0.205 0.000 2.123 285 R HA 0.116 4.456 4.340 -0.000 0.000 0.209 285 R C 0.958 177.197 176.300 -0.102 0.000 1.078 285 R CA 0.489 56.499 56.100 -0.149 0.000 1.028 285 R CB 0.243 30.470 30.300 -0.122 0.000 0.939 285 R HN 0.105 nan 8.270 nan 0.000 0.463 286 K N 0.017 120.369 120.400 -0.079 0.000 2.611 286 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 286 K C 0.733 177.300 176.600 -0.055 0.000 1.026 286 K CA 0.527 56.781 56.287 -0.055 0.000 1.063 286 K CB 0.684 33.163 32.500 -0.035 0.000 0.839 286 K HN 0.223 nan 8.250 nan 0.000 0.505 287 A N -0.323 122.454 122.820 -0.072 0.000 2.141 287 A HA 0.196 4.516 4.320 -0.000 0.000 0.196 287 A C 1.599 179.136 177.584 -0.078 0.000 1.502 287 A CA -0.219 51.778 52.037 -0.066 0.000 1.075 287 A CB 0.183 19.145 19.000 -0.063 0.000 1.217 287 A HN 0.099 nan 8.150 nan 0.000 0.477 288 M N -0.099 119.440 119.600 -0.102 0.000 2.506 288 M HA 0.246 4.726 4.480 -0.000 0.000 0.260 288 M C 1.244 177.462 176.300 -0.137 0.000 1.104 288 M CA 0.767 55.995 55.300 -0.120 0.000 1.112 288 M CB 0.061 32.574 32.600 -0.145 0.000 1.401 288 M HN 0.320 nan 8.290 nan 0.000 0.473 289 L N -0.572 120.580 121.223 -0.118 0.000 2.509 289 L HA -0.046 4.294 4.340 -0.000 0.000 0.222 289 L C 2.178 179.003 176.870 -0.075 0.000 1.123 289 L CA 0.312 55.086 54.840 -0.109 0.000 0.856 289 L CB -0.086 41.916 42.059 -0.094 0.000 0.985 289 L HN 0.224 nan 8.230 nan 0.000 0.456 290 Q N 0.037 119.799 119.800 -0.064 0.000 2.389 290 Q HA -0.102 4.237 4.340 -0.000 0.000 0.204 290 Q C 1.068 177.042 176.000 -0.043 0.000 0.944 290 Q CA 0.979 56.754 55.803 -0.045 0.000 0.908 290 Q CB 0.127 28.842 28.738 -0.038 0.000 1.002 290 Q HN 0.289 nan 8.270 nan 0.000 0.493 291 D N -0.671 119.696 120.400 -0.055 0.000 2.352 291 D HA 0.056 4.696 4.640 -0.000 0.000 0.232 291 D C 0.883 177.160 176.300 -0.038 0.000 1.055 291 D CA 0.412 54.385 54.000 -0.046 0.000 0.891 291 D CB 0.381 41.149 40.800 -0.054 0.000 0.897 291 D HN 0.402 nan 8.370 nan 0.000 0.529 292 I N -0.093 120.452 120.570 -0.042 0.000 3.443 292 I HA 0.063 4.233 4.170 -0.000 0.000 0.277 292 I C 2.214 178.324 176.117 -0.011 0.000 1.169 292 I CA 0.202 61.486 61.300 -0.026 0.000 1.419 292 I CB 0.061 38.034 38.000 -0.044 0.000 1.331 292 I HN -0.145 nan 8.210 nan 0.000 0.458 293 A N 0.477 123.289 122.820 -0.015 0.000 2.066 293 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 293 A C 2.200 179.782 177.584 -0.004 0.000 1.157 293 A CA 1.942 53.976 52.037 -0.005 0.000 0.670 293 A CB -0.816 18.180 19.000 -0.007 0.000 0.804 293 A HN 0.376 nan 8.150 nan 0.000 0.453 294 T N -0.206 114.343 114.554 -0.009 0.000 2.978 294 T HA 0.057 4.407 4.350 -0.000 0.000 0.262 294 T C 1.683 176.380 174.700 -0.005 0.000 1.063 294 T CA 0.697 62.793 62.100 -0.007 0.000 1.140 294 T CB -0.076 68.785 68.868 -0.011 0.000 0.886 294 T HN 0.277 nan 8.240 nan 0.000 0.470 295 L N 2.161 123.382 121.223 -0.004 0.000 2.270 295 L HA 0.047 4.387 4.340 -0.000 0.000 0.210 295 L C 2.114 178.985 176.870 0.003 0.000 1.104 295 L CA 1.645 56.485 54.840 -0.000 0.000 0.804 295 L CB -0.763 41.298 42.059 0.003 0.000 0.937 295 L HN 0.422 nan 8.230 nan 0.000 0.450 296 T N -3.934 110.623 114.554 0.005 0.000 2.985 296 T HA 0.358 4.708 4.350 -0.000 0.000 0.254 296 T C 0.869 175.574 174.700 0.009 0.000 1.021 296 T CA 0.319 62.423 62.100 0.007 0.000 0.957 296 T CB 0.555 69.431 68.868 0.013 0.000 1.047 296 T HN 0.415 nan 8.240 nan 0.000 0.511 297 G N -0.427 108.378 108.800 0.009 0.000 3.224 297 G HA2 0.479 4.439 3.960 -0.000 0.000 0.684 297 G HA3 0.479 4.439 3.960 -0.000 0.000 0.684 297 G C 0.113 175.022 174.900 0.015 0.000 1.180 297 G CA -0.449 44.657 45.100 0.010 0.000 1.099 297 G HN 1.482 nan 8.290 nan 0.000 0.476 298 G N 0.162 108.968 108.800 0.010 0.000 2.350 298 G HA2 0.738 4.698 3.960 -0.000 0.000 0.085 298 G HA3 0.738 4.698 3.960 -0.000 0.000 0.085 298 G C -0.213 174.691 174.900 0.005 0.000 1.159 298 G CA 0.802 45.909 45.100 0.011 0.000 1.146 298 G HN 1.926 nan 8.290 nan 0.000 0.449 299 T N -0.517 114.040 114.554 0.005 0.000 2.841 299 T HA 0.658 5.008 4.350 -0.000 0.000 0.296 299 T C -0.545 174.154 174.700 -0.001 0.000 1.166 299 T CA -0.316 61.785 62.100 0.000 0.000 1.007 299 T CB 2.004 70.872 68.868 -0.000 0.000 1.253 299 T HN 0.960 nan 8.240 nan 0.000 0.511 300 V N 1.544 121.454 119.914 -0.006 0.000 2.644 300 V HA 0.495 4.615 4.120 -0.000 0.000 0.295 300 V C -0.179 175.911 176.094 -0.006 0.000 1.053 300 V CA -0.717 61.578 62.300 -0.008 0.000 0.987 300 V CB 1.011 32.824 31.823 -0.016 0.000 1.006 300 V HN 0.678 nan 8.190 nan 0.000 0.472 301 I N 3.964 124.531 120.570 -0.005 0.000 2.378 301 I HA 0.615 4.785 4.170 -0.000 0.000 0.291 301 I C 0.079 176.193 176.117 -0.004 0.000 0.992 301 I CA 0.199 61.497 61.300 -0.003 0.000 1.154 301 I CB 1.649 39.648 38.000 -0.001 0.000 1.315 301 I HN 0.849 nan 8.210 nan 0.000 0.448 302 S N 2.577 118.276 115.700 -0.003 0.000 2.625 302 S HA 0.383 4.853 4.470 -0.000 0.000 0.271 302 S C -0.164 174.436 174.600 -0.000 0.000 1.161 302 S CA -0.936 57.263 58.200 -0.001 0.000 0.820 302 S CB 1.656 64.854 63.200 -0.003 0.000 1.137 302 S HN 0.607 nan 8.310 nan 0.000 0.470 303 E N 0.151 120.352 120.200 0.001 0.000 2.476 303 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 303 E C 0.785 177.386 176.600 0.001 0.000 1.064 303 E CA 0.166 56.567 56.400 0.002 0.000 0.866 303 E CB -0.036 29.666 29.700 0.003 0.000 0.952 303 E HN 0.668 nan 8.360 nan 0.000 0.492 304 E N 0.139 120.339 120.200 0.001 0.000 2.216 304 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 304 E C 1.612 178.212 176.600 -0.000 0.000 0.988 304 E CA 0.650 57.050 56.400 0.001 0.000 0.834 304 E CB 0.227 29.927 29.700 0.000 0.000 0.772 304 E HN 0.304 nan 8.360 nan 0.000 0.479 305 I N -1.351 119.218 120.570 -0.001 0.000 2.512 305 I HA 0.137 4.307 4.170 -0.000 0.000 0.247 305 I C 1.845 177.961 176.117 -0.001 0.000 1.094 305 I CA 1.010 62.309 61.300 -0.001 0.000 1.427 305 I CB 0.330 38.328 38.000 -0.002 0.000 1.149 305 I HN 0.211 nan 8.210 nan 0.000 0.438 306 G N -0.329 108.471 108.800 -0.001 0.000 3.751 306 G HA2 0.056 4.016 3.960 -0.000 0.000 0.216 306 G HA3 0.056 4.016 3.960 -0.000 0.000 0.216 306 G C 0.344 175.243 174.900 -0.002 0.000 0.911 306 G CA -0.549 44.550 45.100 -0.001 0.000 0.869 306 G HN -0.013 nan 8.290 nan 0.000 0.462 307 M N 1.080 120.679 119.600 -0.002 0.000 2.226 307 M HA 0.574 5.054 4.480 -0.000 0.000 0.324 307 M C 0.517 176.816 176.300 -0.002 0.000 1.112 307 M CA 0.690 55.989 55.300 -0.003 0.000 1.176 307 M CB 1.293 33.892 32.600 -0.003 0.000 1.430 307 M HN 0.336 nan 8.290 nan 0.000 0.462 308 E N 0.335 120.534 120.200 -0.003 0.000 2.334 308 E HA 0.373 4.723 4.350 -0.000 0.000 0.200 308 E C -0.074 176.525 176.600 -0.002 0.000 0.855 308 E CA -0.585 55.814 56.400 -0.002 0.000 0.882 308 E CB 0.936 30.635 29.700 -0.001 0.000 1.993 308 E HN 0.645 nan 8.360 nan 0.000 0.412 309 L N 0.617 121.839 121.223 -0.002 0.000 2.558 309 L HA 0.174 4.514 4.340 -0.000 0.000 0.225 309 L C 1.575 178.440 176.870 -0.007 0.000 1.128 309 L CA 0.533 55.372 54.840 -0.002 0.000 0.868 309 L CB -0.065 41.995 42.059 0.002 0.000 1.006 309 L HN 0.406 nan 8.230 nan 0.000 0.454 310 E N 0.383 120.578 120.200 -0.008 0.000 2.206 310 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 310 E C 0.360 176.951 176.600 -0.015 0.000 0.935 310 E CA 0.189 56.582 56.400 -0.012 0.000 0.875 310 E CB 0.420 30.115 29.700 -0.009 0.000 0.841 310 E HN 0.277 nan 8.360 nan 0.000 0.477 311 K N 1.429 121.821 120.400 -0.012 0.000 2.229 311 K HA 0.433 4.752 4.320 -0.000 0.000 0.247 311 K C -1.043 175.548 176.600 -0.014 0.000 1.117 311 K CA -0.254 56.025 56.287 -0.013 0.000 1.036 311 K CB 1.318 33.812 32.500 -0.009 0.000 1.654 311 K HN -0.028 nan 8.250 nan 0.000 0.405 312 A N 1.925 124.733 122.820 -0.021 0.000 2.599 312 A HA 0.249 4.568 4.320 -0.000 0.000 0.281 312 A C 0.543 178.106 177.584 -0.036 0.000 1.137 312 A CA -0.788 51.236 52.037 -0.022 0.000 0.767 312 A CB 0.351 19.338 19.000 -0.021 0.000 1.266 312 A HN 0.549 nan 8.150 nan 0.000 0.420 313 T N 0.496 115.033 114.554 -0.028 0.000 3.595 313 T HA 0.348 4.698 4.350 -0.000 0.000 0.185 313 T C 1.177 175.854 174.700 -0.039 0.000 0.714 313 T CA 1.284 63.362 62.100 -0.036 0.000 2.571 313 T CB -0.170 68.686 68.868 -0.021 0.000 2.075 313 T HN 0.413 nan 8.240 nan 0.000 0.333 314 L N -0.713 120.506 121.223 -0.007 0.000 3.066 314 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 314 L C 2.675 179.576 176.870 0.052 0.000 1.101 314 L CA 0.036 54.893 54.840 0.029 0.000 1.022 314 L CB 0.104 42.187 42.059 0.041 0.000 1.600 314 L HN 0.475 nan 8.230 nan 0.000 0.559 315 E N 1.087 121.306 120.200 0.031 0.000 2.106 315 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 315 E C 0.854 177.469 176.600 0.026 0.000 0.984 315 E CA 1.356 57.773 56.400 0.028 0.000 0.806 315 E CB 0.320 30.030 29.700 0.018 0.000 0.750 315 E HN 0.386 nan 8.360 nan 0.000 0.458 316 D N 0.122 120.534 120.400 0.020 0.000 2.277 316 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 316 D C 1.708 178.023 176.300 0.025 0.000 0.962 316 D CA 0.246 54.256 54.000 0.017 0.000 0.865 316 D CB 0.191 40.996 40.800 0.008 0.000 0.939 316 D HN 0.140 nan 8.370 nan 0.000 0.510 317 L N 0.184 121.432 121.223 0.040 0.000 1.913 317 L HA 0.218 4.558 4.340 -0.000 0.000 0.215 317 L C 1.103 178.011 176.870 0.063 0.000 1.117 317 L CA 1.401 56.277 54.840 0.060 0.000 0.798 317 L CB -0.726 41.391 42.059 0.098 0.000 0.893 317 L HN 0.171 nan 8.230 nan 0.000 0.440 318 G N -0.381 108.470 108.800 0.085 0.000 3.305 318 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.649 318 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.649 318 G C -0.871 174.056 174.900 0.045 0.000 1.255 318 G CA -0.818 44.315 45.100 0.055 0.000 1.137 318 G HN 0.177 nan 8.290 nan 0.000 0.535 319 Q N -0.107 119.698 119.800 0.007 0.000 2.212 319 Q HA 0.831 5.171 4.340 -0.000 0.000 0.238 319 Q C 0.518 176.476 176.000 -0.070 0.000 0.955 319 Q CA -0.028 55.729 55.803 -0.078 0.000 0.906 319 Q CB 1.947 30.597 28.738 -0.147 0.000 1.215 319 Q HN 1.382 nan 8.270 nan 0.000 0.478 320 A N 0.419 123.176 122.820 -0.105 0.000 2.525 320 A HA 0.446 4.766 4.320 -0.000 0.000 0.291 320 A C -0.301 177.231 177.584 -0.086 0.000 1.268 320 A CA -0.553 51.442 52.037 -0.070 0.000 0.712 320 A CB 1.269 20.244 19.000 -0.041 0.000 1.320 320 A HN 0.654 nan 8.150 nan 0.000 0.456 321 K N -0.856 119.509 120.400 -0.059 0.000 2.225 321 K HA 0.209 4.529 4.320 -0.000 0.000 0.204 321 K C 0.448 177.017 176.600 -0.052 0.000 1.047 321 K CA 0.616 56.869 56.287 -0.057 0.000 0.970 321 K CB 0.450 32.926 32.500 -0.040 0.000 0.939 321 K HN 0.541 nan 8.250 nan 0.000 0.472 322 R N 0.776 121.252 120.500 -0.039 0.000 2.566 322 R HA 0.233 4.573 4.340 -0.000 0.000 0.271 322 R C -1.661 174.623 176.300 -0.025 0.000 1.071 322 R CA -0.451 55.629 56.100 -0.032 0.000 0.915 322 R CB 1.927 32.212 30.300 -0.026 0.000 1.228 322 R HN -0.058 nan 8.270 nan 0.000 0.449 323 V N 0.665 120.565 119.914 -0.023 0.000 2.680 323 V HA 0.818 4.937 4.120 -0.000 0.000 0.309 323 V C -0.875 175.207 176.094 -0.020 0.000 1.052 323 V CA -0.752 61.536 62.300 -0.021 0.000 0.908 323 V CB 1.983 33.800 31.823 -0.011 0.000 1.001 323 V HN 0.418 nan 8.190 nan 0.000 0.431 324 V N 4.774 124.668 119.914 -0.033 0.000 2.638 324 V HA 0.611 4.731 4.120 -0.000 0.000 0.306 324 V C -0.857 175.212 176.094 -0.041 0.000 1.052 324 V CA -0.287 62.000 62.300 -0.022 0.000 0.885 324 V CB 1.834 33.645 31.823 -0.020 0.000 0.999 324 V HN 0.849 nan 8.190 nan 0.000 0.424 325 I N 4.449 125.026 120.570 0.011 0.000 2.466 325 I HA 0.439 4.609 4.170 -0.000 0.000 0.279 325 I C 0.220 176.389 176.117 0.087 0.000 1.033 325 I CA -0.140 61.177 61.300 0.028 0.000 1.123 325 I CB 1.278 39.342 38.000 0.108 0.000 1.237 325 I HN 0.501 nan 8.210 nan 0.000 0.460 326 N N 4.027 122.724 118.700 -0.005 0.000 2.292 326 N HA 0.196 4.935 4.740 -0.000 0.000 0.278 326 N C 1.289 176.707 175.510 -0.153 0.000 1.289 326 N CA -0.304 52.741 53.050 -0.007 0.000 0.934 326 N CB 0.397 38.866 38.487 -0.031 0.000 1.069 326 N HN 0.459 nan 8.380 nan 0.000 0.513 327 K N -0.252 120.033 120.400 -0.191 0.000 2.062 327 K HA -0.080 4.239 4.320 -0.000 0.000 0.205 327 K C -0.528 175.856 176.600 -0.361 0.000 1.051 327 K CA 1.384 57.430 56.287 -0.402 0.000 0.941 327 K CB 0.040 32.431 32.500 -0.182 0.000 0.719 327 K HN 0.709 nan 8.250 nan 0.000 0.440 328 D N -0.120 120.167 120.400 -0.189 0.000 3.078 328 D HA 0.074 4.714 4.640 -0.000 0.000 0.363 328 D C -1.066 175.177 176.300 -0.094 0.000 1.391 328 D CA -0.352 53.573 54.000 -0.125 0.000 0.754 328 D CB 0.354 41.113 40.800 -0.069 0.000 1.238 328 D HN -0.118 nan 8.370 nan 0.000 0.500 329 T N -0.624 113.852 114.554 -0.130 0.000 2.923 329 T HA 0.631 4.981 4.350 -0.000 0.000 0.311 329 T C -0.754 173.799 174.700 -0.246 0.000 1.183 329 T CA -0.516 61.489 62.100 -0.159 0.000 1.020 329 T CB 2.261 71.067 68.868 -0.104 0.000 1.165 329 T HN -0.028 nan 8.240 nan 0.000 0.482 330 T N 1.758 116.047 114.554 -0.442 0.000 3.143 330 T HA 0.566 4.916 4.350 -0.000 0.000 0.312 330 T C -0.698 173.662 174.700 -0.567 0.000 0.986 330 T CA -0.569 61.198 62.100 -0.554 0.000 1.024 330 T CB 1.781 70.168 68.868 -0.802 0.000 1.030 330 T HN 0.744 nan 8.240 nan 0.000 0.448 331 T N 3.300 117.690 114.554 -0.274 0.000 2.855 331 T HA 0.806 5.156 4.350 -0.000 0.000 0.281 331 T C -0.776 173.877 174.700 -0.078 0.000 1.007 331 T CA -0.684 61.323 62.100 -0.156 0.000 1.009 331 T CB 0.367 69.178 68.868 -0.095 0.000 0.983 331 T HN 0.482 nan 8.240 nan 0.000 0.455 332 I N 4.961 125.520 120.570 -0.019 0.000 2.406 332 I HA 0.502 4.671 4.170 -0.000 0.000 0.290 332 I C -0.515 175.603 176.117 0.003 0.000 0.999 332 I CA -0.889 60.417 61.300 0.010 0.000 1.124 332 I CB 1.914 39.949 38.000 0.059 0.000 1.289 332 I HN 0.521 nan 8.210 nan 0.000 0.441 333 I N 4.691 125.256 120.570 -0.007 0.000 2.378 333 I HA 0.279 4.448 4.170 -0.000 0.000 0.291 333 I C -0.604 175.505 176.117 -0.013 0.000 0.992 333 I CA -0.512 60.781 61.300 -0.011 0.000 1.154 333 I CB 1.550 39.540 38.000 -0.016 0.000 1.315 333 I HN 0.630 nan 8.210 nan 0.000 0.448 334 D N 4.985 125.378 120.400 -0.011 0.000 3.617 334 D HA -0.132 4.507 4.640 -0.000 0.000 0.226 334 D C 0.118 176.409 176.300 -0.015 0.000 1.125 334 D CA 0.863 54.855 54.000 -0.013 0.000 1.083 334 D CB -0.055 40.734 40.800 -0.018 0.000 0.833 334 D HN 0.813 nan 8.370 nan 0.000 0.399 335 G N 1.984 110.779 108.800 -0.007 0.000 2.364 335 G HA2 0.415 4.374 3.960 -0.000 0.000 0.267 335 G HA3 0.415 4.374 3.960 -0.000 0.000 0.267 335 G C 0.895 175.788 174.900 -0.011 0.000 1.233 335 G CA -0.594 44.501 45.100 -0.007 0.000 0.885 335 G HN 0.494 nan 8.290 nan 0.000 0.490 336 V N 3.211 123.115 119.914 -0.016 0.000 2.670 336 V HA 0.253 4.372 4.120 -0.000 0.000 0.344 336 V C 1.396 177.486 176.094 -0.006 0.000 1.648 336 V CA 0.140 62.431 62.300 -0.014 0.000 1.673 336 V CB -0.839 30.971 31.823 -0.022 0.000 1.382 336 V HN 0.711 nan 8.190 nan 0.000 0.503 337 G N 0.331 109.129 108.800 -0.004 0.000 2.356 337 G HA2 0.483 4.443 3.960 -0.000 0.000 0.322 337 G HA3 0.483 4.443 3.960 -0.000 0.000 0.322 337 G C -0.313 174.586 174.900 -0.002 0.000 1.125 337 G CA -0.556 44.543 45.100 -0.001 0.000 0.885 337 G HN 0.523 nan 8.290 nan 0.000 0.467 338 E N 1.405 121.605 120.200 -0.001 0.000 2.652 338 E HA -0.047 4.303 4.350 -0.000 0.000 0.255 338 E C -0.076 176.523 176.600 -0.002 0.000 0.952 338 E CA 0.444 56.844 56.400 -0.001 0.000 0.947 338 E CB 0.789 30.489 29.700 -0.000 0.000 0.912 338 E HN 0.367 nan 8.360 nan 0.000 0.489 339 E N 2.306 122.505 120.200 -0.003 0.000 2.148 339 E HA 0.125 4.475 4.350 -0.000 0.000 0.308 339 E C -0.003 176.595 176.600 -0.003 0.000 1.278 339 E CA -0.014 56.384 56.400 -0.003 0.000 1.368 339 E CB 0.685 30.383 29.700 -0.004 0.000 1.229 339 E HN 0.571 nan 8.360 nan 0.000 0.494 340 A N -0.052 122.766 122.820 -0.004 0.000 1.998 340 A HA 0.366 4.685 4.320 -0.000 0.000 0.180 340 A C 1.422 179.003 177.584 -0.004 0.000 1.858 340 A CA 0.550 52.585 52.037 -0.004 0.000 1.403 340 A CB 0.346 19.344 19.000 -0.003 0.000 1.550 340 A HN 0.309 nan 8.150 nan 0.000 0.385 341 A N -0.420 122.398 122.820 -0.005 0.000 2.431 341 A HA 0.534 4.854 4.320 -0.000 0.000 0.239 341 A C 1.446 179.026 177.584 -0.007 0.000 1.230 341 A CA 0.514 52.547 52.037 -0.006 0.000 0.928 341 A CB -0.275 18.722 19.000 -0.005 0.000 1.006 341 A HN 0.342 nan 8.150 nan 0.000 0.520 342 I N -1.377 119.189 120.570 -0.006 0.000 2.628 342 I HA -0.059 4.110 4.170 -0.000 0.000 0.255 342 I C 2.405 178.518 176.117 -0.007 0.000 1.119 342 I CA 0.863 62.159 61.300 -0.007 0.000 1.448 342 I CB -0.035 37.962 38.000 -0.005 0.000 1.133 342 I HN 0.293 nan 8.210 nan 0.000 0.438 343 Q N 1.412 121.208 119.800 -0.006 0.000 2.167 343 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 343 Q C 1.867 177.863 176.000 -0.007 0.000 0.970 343 Q CA 1.611 57.411 55.803 -0.006 0.000 0.855 343 Q CB -0.164 28.571 28.738 -0.005 0.000 0.911 343 Q HN 0.460 nan 8.270 nan 0.000 0.438 344 G N -0.981 107.815 108.800 -0.007 0.000 3.284 344 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.236 344 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.236 344 G C 1.182 176.076 174.900 -0.009 0.000 1.158 344 G CA -0.135 44.960 45.100 -0.008 0.000 0.774 344 G HN 0.105 nan 8.290 nan 0.000 0.545 345 R N 0.080 120.574 120.500 -0.010 0.000 2.210 345 R HA 0.110 4.449 4.340 -0.000 0.000 0.203 345 R C 2.193 178.485 176.300 -0.014 0.000 1.010 345 R CA 0.666 56.759 56.100 -0.013 0.000 1.008 345 R CB -0.302 29.990 30.300 -0.014 0.000 0.923 345 R HN 0.155 nan 8.270 nan 0.000 0.469 346 V N 0.339 120.246 119.914 -0.013 0.000 2.759 346 V HA -0.056 4.064 4.120 -0.000 0.000 0.256 346 V C 1.959 178.045 176.094 -0.013 0.000 1.080 346 V CA 1.620 63.912 62.300 -0.013 0.000 1.101 346 V CB -0.641 31.175 31.823 -0.011 0.000 0.698 346 V HN 0.400 nan 8.190 nan 0.000 0.477 347 A N -1.373 121.440 122.820 -0.011 0.000 2.275 347 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 347 A C 2.020 179.598 177.584 -0.011 0.000 1.201 347 A CA 0.317 52.348 52.037 -0.010 0.000 0.843 347 A CB -0.124 18.871 19.000 -0.009 0.000 0.873 347 A HN 0.537 nan 8.150 nan 0.000 0.492 348 Q N -1.071 118.721 119.800 -0.013 0.000 2.352 348 Q HA 0.275 4.615 4.340 -0.000 0.000 0.212 348 Q C 1.206 177.196 176.000 -0.017 0.000 0.888 348 Q CA 0.306 56.101 55.803 -0.014 0.000 0.934 348 Q CB 0.305 29.034 28.738 -0.015 0.000 1.093 348 Q HN 0.758 nan 8.270 nan 0.000 0.523 349 I N -0.951 119.607 120.570 -0.019 0.000 3.039 349 I HA -0.028 4.142 4.170 -0.000 0.000 0.270 349 I C 2.208 178.312 176.117 -0.022 0.000 1.150 349 I CA 0.265 61.551 61.300 -0.023 0.000 1.448 349 I CB 0.042 38.025 38.000 -0.028 0.000 1.197 349 I HN -0.061 nan 8.210 nan 0.000 0.450 350 R N 0.860 121.349 120.500 -0.019 0.000 2.235 350 R HA -0.082 4.258 4.340 -0.000 0.000 0.213 350 R C 2.139 178.431 176.300 -0.013 0.000 1.059 350 R CA 0.757 56.847 56.100 -0.016 0.000 0.997 350 R CB 0.069 30.360 30.300 -0.014 0.000 0.884 350 R HN 0.297 nan 8.270 nan 0.000 0.462 351 Q N 0.072 119.864 119.800 -0.012 0.000 2.444 351 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 351 Q C 0.299 176.293 176.000 -0.010 0.000 0.948 351 Q CA 0.813 56.610 55.803 -0.010 0.000 0.946 351 Q CB 0.608 29.341 28.738 -0.009 0.000 1.027 351 Q HN 0.456 nan 8.270 nan 0.000 0.513 352 Q N -0.537 119.255 119.800 -0.012 0.000 2.135 352 Q HA 0.241 4.580 4.340 -0.000 0.000 0.222 352 Q C 1.180 177.172 176.000 -0.013 0.000 0.808 352 Q CA -0.188 55.608 55.803 -0.012 0.000 1.049 352 Q CB 0.823 29.553 28.738 -0.014 0.000 1.168 352 Q HN 0.319 nan 8.270 nan 0.000 0.483 353 I N -0.148 120.414 120.570 -0.013 0.000 2.585 353 I HA -0.078 4.092 4.170 -0.000 0.000 0.254 353 I C 1.930 178.042 176.117 -0.007 0.000 1.129 353 I CA 0.570 61.862 61.300 -0.014 0.000 1.455 353 I CB 0.151 38.141 38.000 -0.017 0.000 1.111 353 I HN 0.114 nan 8.210 nan 0.000 0.433 354 E N 1.240 121.437 120.200 -0.005 0.000 2.478 354 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 354 E C 1.605 178.205 176.600 0.000 0.000 1.046 354 E CA 0.598 56.997 56.400 -0.002 0.000 0.870 354 E CB 0.168 29.866 29.700 -0.002 0.000 0.818 354 E HN 0.570 nan 8.360 nan 0.000 0.527 355 E N 0.633 120.833 120.200 0.000 0.000 2.011 355 E HA 0.013 4.362 4.350 -0.000 0.000 0.191 355 E C 0.639 177.243 176.600 0.007 0.000 0.979 355 E CA 0.456 56.858 56.400 0.003 0.000 0.822 355 E CB 0.007 29.708 29.700 0.002 0.000 0.782 355 E HN 0.003 nan 8.360 nan 0.000 0.459 356 A N 2.080 124.906 122.820 0.010 0.000 2.376 356 A HA 0.138 4.458 4.320 -0.000 0.000 0.298 356 A C 0.093 177.688 177.584 0.019 0.000 1.271 356 A CA -0.342 51.705 52.037 0.017 0.000 0.926 356 A CB -0.296 18.718 19.000 0.024 0.000 1.141 356 A HN 0.247 nan 8.150 nan 0.000 0.539 357 T N 0.906 115.471 114.554 0.018 0.000 3.859 357 T HA 0.365 4.715 4.350 -0.000 0.000 0.251 357 T C 0.326 175.042 174.700 0.028 0.000 1.079 357 T CA 0.179 62.291 62.100 0.019 0.000 1.151 357 T CB -0.453 68.424 68.868 0.015 0.000 1.173 357 T HN 0.504 nan 8.240 nan 0.000 0.885 358 S N 0.381 116.103 115.700 0.037 0.000 2.715 358 S HA 0.425 4.894 4.470 -0.000 0.000 0.307 358 S C 0.010 174.648 174.600 0.065 0.000 1.119 358 S CA -0.841 57.393 58.200 0.056 0.000 0.937 358 S CB 1.512 64.759 63.200 0.078 0.000 1.150 358 S HN 0.540 nan 8.310 nan 0.000 0.521 359 D N 0.687 121.142 120.400 0.091 0.000 2.342 359 D HA 0.182 4.821 4.640 -0.000 0.000 0.221 359 D C -0.136 176.266 176.300 0.170 0.000 1.101 359 D CA 0.442 54.501 54.000 0.098 0.000 0.837 359 D CB 0.477 41.326 40.800 0.081 0.000 0.938 359 D HN 0.567 nan 8.370 nan 0.000 0.508 360 Y N -0.396 119.915 120.300 0.017 0.000 2.449 360 Y HA 0.041 4.590 4.550 -0.001 0.000 0.283 360 Y C 1.268 177.176 175.900 0.013 0.000 1.079 360 Y CA -0.025 58.088 58.100 0.021 0.000 1.099 360 Y CB 0.582 39.063 38.460 0.035 0.000 1.354 360 Y HN -0.257 nan 8.280 nan 0.000 0.569 361 D N 0.712 121.157 120.400 0.075 0.000 2.263 361 D HA -0.122 4.517 4.640 -0.000 0.000 0.208 361 D C 2.132 178.389 176.300 -0.072 0.000 0.971 361 D CA 1.181 55.172 54.000 -0.014 0.000 0.867 361 D CB 0.093 40.916 40.800 0.039 0.000 0.929 361 D HN 0.336 nan 8.370 nan 0.000 0.492 362 R N -0.208 120.260 120.500 -0.053 0.000 2.127 362 R HA 0.020 4.359 4.340 -0.000 0.000 0.217 362 R C 1.037 177.279 176.300 -0.096 0.000 1.074 362 R CA 0.694 56.761 56.100 -0.055 0.000 0.991 362 R CB 0.269 30.558 30.300 -0.019 0.000 0.895 362 R HN 0.078 nan 8.270 nan 0.000 0.450 363 E N 0.065 120.176 120.200 -0.149 0.000 2.489 363 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 363 E C 0.658 177.092 176.600 -0.277 0.000 1.057 363 E CA 0.404 56.702 56.400 -0.171 0.000 0.866 363 E CB 0.653 30.286 29.700 -0.112 0.000 0.916 363 E HN 0.101 nan 8.360 nan 0.000 0.500 364 K N -0.146 120.044 120.400 -0.350 0.000 2.481 364 K HA 0.273 4.593 4.320 -0.000 0.000 0.210 364 K C 1.414 177.900 176.600 -0.189 0.000 1.161 364 K CA -0.018 56.072 56.287 -0.329 0.000 1.023 364 K CB 0.902 33.082 32.500 -0.532 0.000 0.971 364 K HN 0.091 nan 8.250 nan 0.000 0.577 365 L N 0.850 121.985 121.223 -0.147 0.000 2.611 365 L HA 0.140 4.480 4.340 -0.000 0.000 0.229 365 L C 1.800 178.627 176.870 -0.072 0.000 1.137 365 L CA 0.288 55.072 54.840 -0.093 0.000 0.901 365 L CB 0.182 42.198 42.059 -0.072 0.000 1.098 365 L HN 0.029 nan 8.230 nan 0.000 0.456 366 Q N -0.236 119.517 119.800 -0.079 0.000 2.394 366 Q HA 0.006 4.346 4.340 -0.000 0.000 0.218 366 Q C 1.380 177.352 176.000 -0.048 0.000 0.907 366 Q CA 0.645 56.415 55.803 -0.056 0.000 0.919 366 Q CB 0.691 29.398 28.738 -0.052 0.000 1.051 366 Q HN 0.529 nan 8.270 nan 0.000 0.538 367 E N 0.222 120.387 120.200 -0.059 0.000 2.385 367 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 367 E C 1.323 177.902 176.600 -0.035 0.000 1.013 367 E CA 0.107 56.482 56.400 -0.041 0.000 0.866 367 E CB 0.316 29.990 29.700 -0.043 0.000 0.832 367 E HN 0.113 nan 8.360 nan 0.000 0.500 368 R N 0.315 120.786 120.500 -0.047 0.000 2.317 368 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 368 R C 1.862 178.143 176.300 -0.030 0.000 0.914 368 R CA 0.379 56.454 56.100 -0.041 0.000 1.060 368 R CB 0.540 30.806 30.300 -0.056 0.000 1.015 368 R HN 0.086 nan 8.270 nan 0.000 0.498 369 V N -5.312 114.586 119.914 -0.028 0.000 3.539 369 V HA 0.399 4.518 4.120 -0.000 0.000 0.262 369 V C 1.508 177.592 176.094 -0.016 0.000 1.381 369 V CA 0.611 62.898 62.300 -0.022 0.000 1.060 369 V CB 0.827 32.636 31.823 -0.024 0.000 0.842 369 V HN 0.043 nan 8.190 nan 0.000 0.445 370 A N -0.170 122.641 122.820 -0.016 0.000 2.251 370 A HA 0.336 4.655 4.320 -0.000 0.000 0.209 370 A C 1.970 179.550 177.584 -0.006 0.000 1.187 370 A CA 0.615 52.646 52.037 -0.011 0.000 0.823 370 A CB -0.086 18.906 19.000 -0.013 0.000 0.846 370 A HN 0.377 nan 8.150 nan 0.000 0.486 371 K N -1.724 118.674 120.400 -0.002 0.000 2.504 371 K HA 0.236 4.556 4.320 -0.000 0.000 0.203 371 K C 1.384 177.991 176.600 0.011 0.000 1.350 371 K CA 0.232 56.524 56.287 0.008 0.000 0.953 371 K CB -0.289 32.223 32.500 0.019 0.000 1.243 371 K HN 0.362 nan 8.250 nan 0.000 0.534 372 L N 1.027 122.253 121.223 0.004 0.000 2.162 372 L HA 0.169 4.508 4.340 -0.000 0.000 0.205 372 L C 1.741 178.611 176.870 -0.001 0.000 1.086 372 L CA 1.600 56.441 54.840 0.003 0.000 0.778 372 L CB -0.132 41.924 42.059 -0.006 0.000 0.928 372 L HN 0.087 nan 8.230 nan 0.000 0.446 373 A N -1.514 121.302 122.820 -0.005 0.000 2.252 373 A HA 0.343 4.663 4.320 -0.000 0.000 0.213 373 A C 2.090 179.670 177.584 -0.006 0.000 1.188 373 A CA 0.474 52.507 52.037 -0.006 0.000 0.863 373 A CB -0.738 18.257 19.000 -0.009 0.000 0.893 373 A HN 0.418 nan 8.150 nan 0.000 0.495 374 G N -0.025 108.772 108.800 -0.005 0.000 2.408 374 G HA2 0.373 4.333 3.960 -0.000 0.000 0.217 374 G HA3 0.373 4.333 3.960 -0.000 0.000 0.217 374 G C 1.048 175.945 174.900 -0.005 0.000 1.150 374 G CA 0.754 45.851 45.100 -0.005 0.000 0.776 374 G HN 1.726 nan 8.290 nan 0.000 0.542 375 G N -2.215 106.584 108.800 -0.002 0.000 2.663 375 G HA2 0.139 4.098 3.960 -0.000 0.000 0.686 375 G HA3 0.139 4.098 3.960 -0.000 0.000 0.686 375 G C -1.045 173.853 174.900 -0.004 0.000 1.288 375 G CA -0.416 44.682 45.100 -0.003 0.000 0.836 375 G HN 0.888 nan 8.290 nan 0.000 0.584 376 V N 1.097 121.008 119.914 -0.005 0.000 2.444 376 V HA 0.745 4.865 4.120 -0.000 0.000 0.294 376 V C 0.892 176.979 176.094 -0.010 0.000 1.022 376 V CA 0.032 62.327 62.300 -0.008 0.000 0.850 376 V CB 1.193 33.011 31.823 -0.007 0.000 0.992 376 V HN 2.048 nan 8.190 nan 0.000 0.426 377 A N 4.864 127.676 122.820 -0.013 0.000 2.322 377 A HA 0.796 5.115 4.320 -0.000 0.000 0.269 377 A C -0.532 177.044 177.584 -0.014 0.000 1.094 377 A CA -0.335 51.695 52.037 -0.013 0.000 0.807 377 A CB 1.015 20.007 19.000 -0.014 0.000 1.047 377 A HN 0.735 nan 8.150 nan 0.000 0.487 378 V N 3.159 123.066 119.914 -0.012 0.000 2.525 378 V HA 0.325 4.445 4.120 -0.000 0.000 0.299 378 V C -0.579 175.509 176.094 -0.010 0.000 1.034 378 V CA -0.102 62.191 62.300 -0.011 0.000 0.863 378 V CB 1.469 33.285 31.823 -0.011 0.000 0.999 378 V HN 0.739 nan 8.190 nan 0.000 0.423 379 I N 4.825 125.390 120.570 -0.009 0.000 2.339 379 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 379 I C 0.137 176.251 176.117 -0.006 0.000 0.994 379 I CA -0.513 60.783 61.300 -0.007 0.000 1.191 379 I CB 1.406 39.402 38.000 -0.006 0.000 1.343 379 I HN 0.459 nan 8.210 nan 0.000 0.458 380 K N 5.006 125.402 120.400 -0.005 0.000 2.130 380 K HA 0.532 4.852 4.320 -0.000 0.000 0.268 380 K C -0.914 175.684 176.600 -0.004 0.000 0.983 380 K CA -0.732 55.552 56.287 -0.005 0.000 0.893 380 K CB 2.330 34.826 32.500 -0.006 0.000 1.066 380 K HN 0.295 nan 8.250 nan 0.000 0.450 381 V N 2.497 122.410 119.914 -0.003 0.000 2.334 381 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 381 V C 0.513 176.605 176.094 -0.003 0.000 1.040 381 V CA -0.765 61.534 62.300 -0.002 0.000 0.866 381 V CB 0.876 32.699 31.823 -0.001 0.000 1.019 381 V HN 0.888 nan 8.190 nan 0.000 0.468 382 G N 3.605 112.403 108.800 -0.003 0.000 2.338 382 G HA2 0.728 4.687 3.960 -0.000 0.000 0.298 382 G HA3 0.728 4.687 3.960 -0.000 0.000 0.298 382 G C -0.336 174.563 174.900 -0.003 0.000 1.140 382 G CA 0.184 45.282 45.100 -0.003 0.000 0.860 382 G HN 1.144 nan 8.290 nan 0.000 0.470 383 A N 0.945 123.763 122.820 -0.003 0.000 2.610 383 A HA 0.806 5.126 4.320 -0.000 0.000 0.291 383 A C 0.840 178.422 177.584 -0.003 0.000 1.086 383 A CA 0.255 52.290 52.037 -0.003 0.000 0.677 383 A CB 0.768 19.766 19.000 -0.002 0.000 1.278 383 A HN 1.671 nan 8.150 nan 0.000 0.414 384 A N 0.238 123.057 122.820 -0.002 0.000 1.858 384 A HA 0.360 4.680 4.320 -0.000 0.000 0.216 384 A C 1.304 178.886 177.584 -0.002 0.000 1.190 384 A CA 2.571 54.606 52.037 -0.002 0.000 0.617 384 A CB -0.742 18.257 19.000 -0.002 0.000 0.827 384 A HN 1.975 nan 8.150 nan 0.000 0.443 385 T N -4.678 109.875 114.554 -0.002 0.000 2.864 385 T HA 0.475 4.825 4.350 -0.000 0.000 0.289 385 T C 0.509 175.207 174.700 -0.003 0.000 1.082 385 T CA 0.026 62.124 62.100 -0.002 0.000 1.009 385 T CB 1.775 70.641 68.868 -0.002 0.000 1.234 385 T HN 0.269 nan 8.240 nan 0.000 0.526 386 E N -0.124 120.074 120.200 -0.003 0.000 2.077 386 E HA -0.145 4.204 4.350 -0.000 0.000 0.193 386 E C 1.946 178.544 176.600 -0.003 0.000 0.989 386 E CA 1.429 57.827 56.400 -0.003 0.000 0.800 386 E CB -0.243 29.455 29.700 -0.003 0.000 0.746 386 E HN 0.506 nan 8.360 nan 0.000 0.452 387 V N 1.240 121.152 119.914 -0.003 0.000 2.392 387 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 387 V C 1.927 178.020 176.094 -0.003 0.000 1.059 387 V CA 2.169 64.468 62.300 -0.003 0.000 1.051 387 V CB -0.454 31.367 31.823 -0.002 0.000 0.658 387 V HN 0.274 nan 8.190 nan 0.000 0.455 388 E N -1.264 118.934 120.200 -0.003 0.000 2.472 388 E HA 0.083 4.433 4.350 -0.000 0.000 0.196 388 E C 1.965 178.564 176.600 -0.002 0.000 1.033 388 E CA -0.161 56.237 56.400 -0.003 0.000 0.886 388 E CB 0.174 29.872 29.700 -0.003 0.000 0.944 388 E HN 0.416 nan 8.360 nan 0.000 0.492 389 M N 0.935 120.533 119.600 -0.003 0.000 2.160 389 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 389 M C 1.775 178.073 176.300 -0.002 0.000 1.073 389 M CA 1.361 56.660 55.300 -0.002 0.000 1.142 389 M CB -0.066 32.532 32.600 -0.003 0.000 1.358 389 M HN -0.095 nan 8.290 nan 0.000 0.422 390 K N 0.404 120.802 120.400 -0.003 0.000 2.020 390 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 390 K C 1.695 178.294 176.600 -0.003 0.000 1.050 390 K CA 1.382 57.668 56.287 -0.003 0.000 0.929 390 K CB -0.529 31.969 32.500 -0.003 0.000 0.714 390 K HN 0.405 nan 8.250 nan 0.000 0.443 391 E N 0.657 120.856 120.200 -0.003 0.000 2.204 391 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 391 E C 1.937 178.536 176.600 -0.002 0.000 0.989 391 E CA 0.834 57.232 56.400 -0.003 0.000 0.824 391 E CB 0.035 29.733 29.700 -0.003 0.000 0.756 391 E HN 0.290 nan 8.360 nan 0.000 0.477 392 K N 1.169 121.568 120.400 -0.002 0.000 2.137 392 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 392 K C 2.149 178.750 176.600 0.001 0.000 1.052 392 K CA 0.567 56.853 56.287 -0.001 0.000 0.961 392 K CB 0.166 32.666 32.500 -0.001 0.000 0.741 392 K HN -0.127 nan 8.250 nan 0.000 0.452 393 K N 0.497 120.897 120.400 0.000 0.000 2.020 393 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 393 K C 1.866 178.468 176.600 0.004 0.000 1.050 393 K CA 1.669 57.957 56.287 0.002 0.000 0.929 393 K CB -0.232 32.269 32.500 0.000 0.000 0.714 393 K HN 0.183 nan 8.250 nan 0.000 0.443 394 A N 1.066 123.887 122.820 0.001 0.000 2.070 394 A HA -0.103 4.216 4.320 -0.000 0.000 0.220 394 A C 1.941 179.526 177.584 0.002 0.000 1.159 394 A CA 1.099 53.136 52.037 0.000 0.000 0.656 394 A CB -0.309 18.688 19.000 -0.005 0.000 0.800 394 A HN 0.317 nan 8.150 nan 0.000 0.453 395 R N -0.752 119.750 120.500 0.003 0.000 2.210 395 R HA 0.033 4.373 4.340 -0.000 0.000 0.203 395 R C 1.661 177.969 176.300 0.012 0.000 1.010 395 R CA 1.034 57.137 56.100 0.005 0.000 1.008 395 R CB -0.097 30.204 30.300 0.002 0.000 0.923 395 R HN 0.448 nan 8.270 nan 0.000 0.469 396 V N 0.654 120.576 119.914 0.014 0.000 2.719 396 V HA -0.129 3.990 4.120 -0.000 0.000 0.252 396 V C 1.901 178.014 176.094 0.032 0.000 1.065 396 V CA 1.422 63.732 62.300 0.017 0.000 1.086 396 V CB -0.321 31.509 31.823 0.011 0.000 0.700 396 V HN 0.269 nan 8.190 nan 0.000 0.467 397 E N 0.312 120.537 120.200 0.041 0.000 2.008 397 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 397 E C 1.964 178.643 176.600 0.131 0.000 0.986 397 E CA 1.394 57.843 56.400 0.082 0.000 0.807 397 E CB -0.137 29.601 29.700 0.063 0.000 0.766 397 E HN 0.550 nan 8.360 nan 0.000 0.450 398 D N 0.088 120.529 120.400 0.068 0.000 2.219 398 D HA -0.083 4.556 4.640 -0.000 0.000 0.205 398 D C 1.725 178.073 176.300 0.080 0.000 0.970 398 D CA 0.762 54.793 54.000 0.052 0.000 0.851 398 D CB 0.117 40.909 40.800 -0.012 0.000 0.943 398 D HN 0.113 nan 8.370 nan 0.000 0.488 399 A N 0.920 123.774 122.820 0.057 0.000 1.929 399 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 399 A C 2.155 179.768 177.584 0.049 0.000 1.176 399 A CA 0.585 52.648 52.037 0.043 0.000 0.628 399 A CB -0.481 18.533 19.000 0.024 0.000 0.816 399 A HN 0.222 nan 8.150 nan 0.000 0.444 400 L N -0.859 120.396 121.223 0.053 0.000 2.046 400 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 400 L C 2.296 179.171 176.870 0.008 0.000 1.077 400 L CA 2.167 57.018 54.840 0.019 0.000 0.747 400 L CB -0.754 41.306 42.059 0.001 0.000 0.896 400 L HN 0.514 nan 8.230 nan 0.000 0.432 401 H N -0.589 118.478 119.070 -0.006 0.000 2.387 401 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 401 H C 2.055 177.382 175.328 -0.003 0.000 1.099 401 H CA 1.461 57.505 56.048 -0.006 0.000 1.315 401 H CB 0.087 29.845 29.762 -0.007 0.000 1.380 401 H HN 0.566 nan 8.280 nan 0.000 0.513 402 A N 0.108 122.995 122.820 0.112 0.000 1.929 402 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 402 A C 2.570 180.173 177.584 0.032 0.000 1.176 402 A CA 1.645 53.719 52.037 0.061 0.000 0.628 402 A CB -0.593 18.434 19.000 0.045 0.000 0.816 402 A HN 0.340 nan 8.150 nan 0.000 0.444 403 T N -0.475 114.091 114.554 0.019 0.000 2.821 403 T HA -0.089 4.260 4.350 -0.000 0.000 0.267 403 T C 2.109 176.804 174.700 -0.008 0.000 1.046 403 T CA 1.004 63.106 62.100 0.003 0.000 1.139 403 T CB -0.211 68.655 68.868 -0.002 0.000 0.871 403 T HN 0.289 nan 8.240 nan 0.000 0.454 404 R N 1.245 121.730 120.500 -0.025 0.000 2.083 404 R HA 0.011 4.351 4.340 -0.000 0.000 0.237 404 R C 2.648 178.938 176.300 -0.017 0.000 1.137 404 R CA 1.626 57.701 56.100 -0.043 0.000 0.951 404 R CB -0.901 29.338 30.300 -0.101 0.000 0.851 404 R HN 0.447 nan 8.270 nan 0.000 0.434 405 A N 0.291 123.113 122.820 0.003 0.000 2.014 405 A HA 0.055 4.374 4.320 -0.000 0.000 0.218 405 A C 2.195 179.788 177.584 0.015 0.000 1.163 405 A CA 1.309 53.357 52.037 0.017 0.000 0.652 405 A CB -0.260 18.761 19.000 0.036 0.000 0.808 405 A HN 0.355 nan 8.150 nan 0.000 0.449 406 A N -0.654 122.173 122.820 0.012 0.000 2.066 406 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 406 A C 2.016 179.604 177.584 0.006 0.000 1.157 406 A CA 1.568 53.611 52.037 0.010 0.000 0.670 406 A CB -0.378 18.627 19.000 0.009 0.000 0.804 406 A HN 0.324 nan 8.150 nan 0.000 0.453 407 V N -0.543 119.373 119.914 0.002 0.000 2.500 407 V HA -0.119 4.001 4.120 -0.000 0.000 0.243 407 V C 2.254 178.350 176.094 0.002 0.000 1.039 407 V CA 1.618 63.918 62.300 -0.000 0.000 1.053 407 V CB -0.567 31.253 31.823 -0.006 0.000 0.695 407 V HN 0.572 nan 8.190 nan 0.000 0.463 408 E N 0.171 120.373 120.200 0.003 0.000 2.047 408 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 408 E C 1.876 178.481 176.600 0.010 0.000 0.987 408 E CA 1.495 57.898 56.400 0.006 0.000 0.799 408 E CB 0.064 29.768 29.700 0.007 0.000 0.752 408 E HN 0.641 nan 8.360 nan 0.000 0.449 409 E N -1.088 119.120 120.200 0.013 0.000 2.474 409 E HA 0.208 4.558 4.350 -0.000 0.000 0.215 409 E C 0.518 177.126 176.600 0.014 0.000 0.867 409 E CA 0.278 56.686 56.400 0.015 0.000 1.135 409 E CB 1.758 31.470 29.700 0.019 0.000 1.147 409 E HN 0.200 nan 8.360 nan 0.000 0.534 410 G N 1.223 110.032 108.800 0.014 0.000 2.466 410 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.316 410 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.316 410 G C -0.789 174.120 174.900 0.015 0.000 1.270 410 G CA -0.522 44.586 45.100 0.013 0.000 0.982 410 G HN 0.396 nan 8.290 nan 0.000 0.506 411 V N -2.030 117.893 119.914 0.015 0.000 2.588 411 V HA 0.892 5.012 4.120 -0.000 0.000 0.304 411 V C 0.749 176.853 176.094 0.017 0.000 1.042 411 V CA -0.075 62.234 62.300 0.016 0.000 0.877 411 V CB 0.798 32.629 31.823 0.014 0.000 0.996 411 V HN 2.185 nan 8.190 nan 0.000 0.425 412 V N 1.477 121.402 119.914 0.019 0.000 3.302 412 V HA 0.989 5.109 4.120 -0.000 0.000 0.316 412 V C 0.802 176.908 176.094 0.021 0.000 1.111 412 V CA -0.427 61.886 62.300 0.021 0.000 1.029 412 V CB 1.339 33.175 31.823 0.023 0.000 1.170 412 V HN 1.671 nan 8.190 nan 0.000 0.452 413 A N 0.831 123.666 122.820 0.024 0.000 2.454 413 A HA 0.650 4.970 4.320 -0.000 0.000 0.260 413 A C 0.833 178.429 177.584 0.020 0.000 1.106 413 A CA 0.373 52.424 52.037 0.024 0.000 0.780 413 A CB -0.535 18.484 19.000 0.032 0.000 1.044 413 A HN 1.711 nan 8.150 nan 0.000 0.498 414 G N 0.878 109.686 108.800 0.012 0.000 2.525 414 G HA2 0.488 4.448 3.960 -0.000 0.000 0.276 414 G HA3 0.488 4.448 3.960 -0.000 0.000 0.276 414 G C 1.186 176.092 174.900 0.009 0.000 1.388 414 G CA 0.039 45.144 45.100 0.009 0.000 1.050 414 G HN 2.246 nan 8.290 nan 0.000 0.520 415 G N -2.372 106.432 108.800 0.007 0.000 2.155 415 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 415 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 415 G C 1.527 176.443 174.900 0.027 0.000 0.983 415 G CA 1.111 46.220 45.100 0.015 0.000 0.676 415 G HN 2.522 nan 8.290 nan 0.000 0.528 416 G N -2.099 106.715 108.800 0.023 0.000 2.153 416 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.252 416 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.252 416 G C 1.783 176.702 174.900 0.031 0.000 0.994 416 G CA 1.948 47.064 45.100 0.026 0.000 0.698 416 G HN 2.241 nan 8.290 nan 0.000 0.521 417 V N -2.796 117.138 119.914 0.033 0.000 2.788 417 V HA 0.450 4.570 4.120 -0.000 0.000 0.251 417 V C 2.742 178.860 176.094 0.041 0.000 1.068 417 V CA 1.674 63.999 62.300 0.041 0.000 1.090 417 V CB -0.588 31.261 31.823 0.044 0.000 0.710 417 V HN 1.301 nan 8.190 nan 0.000 0.467 418 A N 1.248 124.088 122.820 0.034 0.000 1.883 418 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 418 A C 2.203 179.805 177.584 0.031 0.000 1.186 418 A CA 2.382 54.438 52.037 0.032 0.000 0.624 418 A CB -0.711 18.306 19.000 0.028 0.000 0.822 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -1.079 120.161 121.223 0.029 0.000 2.072 419 L HA -0.033 4.306 4.340 -0.000 0.000 0.205 419 L C 2.443 179.330 176.870 0.028 0.000 1.079 419 L CA 1.132 55.988 54.840 0.027 0.000 0.752 419 L CB -0.320 41.754 42.059 0.025 0.000 0.906 419 L HN 0.431 nan 8.230 nan 0.000 0.436 420 I N -0.517 120.072 120.570 0.032 0.000 2.676 420 I HA -0.232 3.938 4.170 -0.000 0.000 0.259 420 I C 2.644 178.784 176.117 0.039 0.000 1.194 420 I CA 0.649 61.969 61.300 0.034 0.000 1.473 420 I CB 0.070 38.093 38.000 0.038 0.000 1.096 420 I HN 0.175 nan 8.210 nan 0.000 0.443 421 R N 0.048 120.573 120.500 0.042 0.000 2.093 421 R HA -0.033 4.307 4.340 -0.000 0.000 0.224 421 R C 1.971 178.291 176.300 0.033 0.000 1.101 421 R CA 1.354 57.480 56.100 0.043 0.000 0.979 421 R CB -0.664 29.665 30.300 0.048 0.000 0.877 421 R HN 0.192 nan 8.270 nan 0.000 0.441 422 V N 0.770 120.701 119.914 0.029 0.000 2.427 422 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 422 V C 2.260 178.366 176.094 0.021 0.000 1.051 422 V CA 1.780 64.093 62.300 0.023 0.000 1.048 422 V CB -0.770 31.066 31.823 0.021 0.000 0.666 422 V HN 0.472 nan 8.190 nan 0.000 0.456 423 A N 0.814 123.648 122.820 0.022 0.000 1.908 423 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 423 A C 2.533 180.128 177.584 0.018 0.000 1.181 423 A CA 2.468 54.516 52.037 0.019 0.000 0.627 423 A CB -0.792 18.221 19.000 0.020 0.000 0.818 423 A HN 0.698 nan 8.150 nan 0.000 0.445 424 S N -0.663 115.050 115.700 0.022 0.000 2.453 424 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 424 S C 1.588 176.198 174.600 0.016 0.000 1.005 424 S CA 1.279 59.491 58.200 0.020 0.000 0.949 424 S CB -0.222 62.992 63.200 0.024 0.000 0.774 424 S HN 0.588 nan 8.310 nan 0.000 0.510 425 K N 0.389 120.799 120.400 0.017 0.000 2.426 425 K HA 0.341 4.661 4.320 -0.000 0.000 0.193 425 K C 0.649 177.256 176.600 0.012 0.000 1.028 425 K CA 0.237 56.533 56.287 0.014 0.000 1.047 425 K CB 0.018 32.528 32.500 0.016 0.000 0.821 425 K HN 0.385 nan 8.250 nan 0.000 0.513 426 L N -0.250 120.980 121.223 0.012 0.000 3.066 426 L HA 0.254 4.593 4.340 -0.000 0.000 0.265 426 L C 1.429 178.304 176.870 0.008 0.000 1.232 426 L CA -0.194 54.652 54.840 0.009 0.000 1.031 426 L CB 0.581 42.645 42.059 0.010 0.000 1.379 426 L HN 0.031 nan 8.230 nan 0.000 0.563 427 A N -0.466 122.359 122.820 0.009 0.000 2.067 427 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 427 A C 1.540 179.127 177.584 0.006 0.000 1.158 427 A CA 1.338 53.380 52.037 0.008 0.000 0.661 427 A CB -0.132 18.873 19.000 0.008 0.000 0.801 427 A HN 0.290 nan 8.150 nan 0.000 0.452 428 D N -1.033 119.371 120.400 0.006 0.000 2.339 428 D HA 0.129 4.769 4.640 -0.000 0.000 0.217 428 D C 0.184 176.486 176.300 0.004 0.000 1.050 428 D CA -0.057 53.945 54.000 0.005 0.000 0.856 428 D CB -0.045 40.758 40.800 0.004 0.000 0.922 428 D HN 0.339 nan 8.370 nan 0.000 0.518 429 L N 1.664 122.889 121.223 0.005 0.000 2.410 429 L HA 0.166 4.506 4.340 -0.000 0.000 0.273 429 L C 0.092 176.964 176.870 0.004 0.000 1.152 429 L CA 0.420 55.262 54.840 0.004 0.000 0.855 429 L CB 0.242 42.304 42.059 0.004 0.000 1.129 429 L HN -0.244 nan 8.230 nan 0.000 0.463 430 R N 2.993 123.495 120.500 0.003 0.000 2.867 430 R HA 0.638 4.978 4.340 -0.000 0.000 0.268 430 R C -0.064 176.238 176.300 0.002 0.000 1.014 430 R CA -0.275 55.827 56.100 0.003 0.000 0.946 430 R CB 1.500 31.801 30.300 0.002 0.000 1.208 430 R HN 0.809 nan 8.270 nan 0.000 0.477 431 G N -0.123 108.678 108.800 0.002 0.000 3.075 431 G HA2 0.145 4.104 3.960 -0.000 0.000 0.156 431 G HA3 0.145 4.104 3.960 -0.000 0.000 0.156 431 G C 0.197 175.098 174.900 0.001 0.000 1.403 431 G CA 0.049 45.150 45.100 0.002 0.000 1.033 431 G HN 0.438 nan 8.290 nan 0.000 0.589 432 Q N -0.683 119.117 119.800 0.001 0.000 2.442 432 Q HA 0.166 4.506 4.340 -0.000 0.000 0.228 432 Q C 0.012 176.013 176.000 0.001 0.000 0.902 432 Q CA 0.279 56.083 55.803 0.001 0.000 0.933 432 Q CB 0.461 29.199 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.293 117.408 118.700 0.001 0.000 2.629 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 433 N C 0.128 175.639 175.510 0.002 0.000 1.344 433 N CA -0.483 52.568 53.050 0.001 0.000 0.789 433 N CB 0.510 38.998 38.487 0.001 0.000 1.508 433 N HN -0.262 nan 8.380 nan 0.000 0.516 434 E N -0.346 119.855 120.200 0.002 0.000 2.118 434 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 434 E C 0.415 177.017 176.600 0.002 0.000 0.992 434 E CA 1.700 58.101 56.400 0.002 0.000 0.804 434 E CB -0.320 29.381 29.700 0.002 0.000 0.741 434 E HN 0.592 nan 8.360 nan 0.000 0.458 435 D N -0.081 120.321 120.400 0.003 0.000 2.144 435 D HA -0.141 4.498 4.640 -0.000 0.000 0.199 435 D C 1.859 178.161 176.300 0.003 0.000 0.984 435 D CA 0.890 54.892 54.000 0.003 0.000 0.834 435 D CB -0.195 40.607 40.800 0.003 0.000 0.955 435 D HN 0.387 nan 8.370 nan 0.000 0.465 436 Q N 0.080 119.882 119.800 0.003 0.000 2.123 436 Q HA -0.064 4.276 4.340 -0.000 0.000 0.199 436 Q C 1.771 177.773 176.000 0.003 0.000 0.966 436 Q CA 0.554 56.359 55.803 0.003 0.000 0.845 436 Q CB 0.037 28.776 28.738 0.002 0.000 0.907 436 Q HN 0.236 nan 8.270 nan 0.000 0.439 437 N N 0.125 118.827 118.700 0.003 0.000 2.166 437 N HA -0.123 4.616 4.740 -0.000 0.000 0.186 437 N C 1.811 177.323 175.510 0.004 0.000 1.019 437 N CA 1.038 54.090 53.050 0.003 0.000 0.856 437 N CB -0.128 38.361 38.487 0.003 0.000 0.993 437 N HN 0.063 nan 8.380 nan 0.000 0.426 438 V N 0.553 120.469 119.914 0.004 0.000 2.453 438 V HA -0.063 4.056 4.120 -0.000 0.000 0.247 438 V C 2.444 178.541 176.094 0.005 0.000 1.048 438 V CA 1.722 64.025 62.300 0.004 0.000 1.049 438 V CB -1.139 30.686 31.823 0.004 0.000 0.672 438 V HN 0.295 nan 8.190 nan 0.000 0.457 439 G N 0.353 109.156 108.800 0.005 0.000 2.442 439 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 439 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 439 G C 1.549 176.452 174.900 0.005 0.000 1.141 439 G CA 1.171 46.275 45.100 0.005 0.000 0.763 439 G HN 0.512 nan 8.290 nan 0.000 0.554 440 I N 0.199 120.772 120.570 0.005 0.000 2.202 440 I HA -0.086 4.084 4.170 -0.000 0.000 0.242 440 I C 2.601 178.722 176.117 0.006 0.000 1.091 440 I CA 0.927 62.230 61.300 0.005 0.000 1.368 440 I CB -0.095 37.907 38.000 0.004 0.000 1.058 440 I HN -0.057 nan 8.210 nan 0.000 0.410 441 K N 0.621 121.025 120.400 0.006 0.000 2.209 441 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 441 K C 2.135 178.739 176.600 0.007 0.000 1.048 441 K CA 0.945 57.236 56.287 0.007 0.000 0.940 441 K CB -0.521 31.982 32.500 0.006 0.000 0.729 441 K HN 0.225 nan 8.250 nan 0.000 0.451 442 V N 1.432 121.350 119.914 0.007 0.000 2.307 442 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 442 V C 2.434 178.534 176.094 0.009 0.000 1.045 442 V CA 1.964 64.269 62.300 0.008 0.000 1.024 442 V CB -0.666 31.162 31.823 0.008 0.000 0.651 442 V HN 0.283 nan 8.190 nan 0.000 0.449 443 A N -0.492 122.333 122.820 0.009 0.000 1.930 443 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 443 A C 2.170 179.760 177.584 0.011 0.000 1.175 443 A CA 1.519 53.562 52.037 0.010 0.000 0.627 443 A CB -0.444 18.561 19.000 0.009 0.000 0.815 443 A HN 0.512 nan 8.150 nan 0.000 0.443 444 L N -1.374 119.855 121.223 0.010 0.000 2.156 444 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 444 L C 2.662 179.539 176.870 0.012 0.000 1.095 444 L CA 0.934 55.781 54.840 0.012 0.000 0.770 444 L CB -0.354 41.712 42.059 0.011 0.000 0.914 444 L HN 0.300 nan 8.230 nan 0.000 0.439 445 R N -0.221 120.286 120.500 0.011 0.000 2.276 445 R HA 0.036 4.375 4.340 -0.000 0.000 0.203 445 R C 2.179 178.486 176.300 0.011 0.000 1.017 445 R CA 0.765 56.871 56.100 0.010 0.000 1.010 445 R CB -0.073 30.232 30.300 0.008 0.000 0.900 445 R HN 0.296 nan 8.270 nan 0.000 0.469 446 A N 0.436 123.264 122.820 0.012 0.000 2.021 446 A HA -0.037 4.282 4.320 -0.000 0.000 0.216 446 A C 1.920 179.513 177.584 0.015 0.000 1.163 446 A CA 0.624 52.669 52.037 0.013 0.000 0.676 446 A CB -0.100 18.908 19.000 0.014 0.000 0.818 446 A HN 0.149 nan 8.150 nan 0.000 0.453 447 M N -0.466 119.143 119.600 0.016 0.000 2.476 447 M HA -0.063 4.416 4.480 -0.000 0.000 0.262 447 M C 1.573 177.884 176.300 0.018 0.000 1.079 447 M CA 0.941 56.252 55.300 0.018 0.000 1.104 447 M CB -0.140 32.472 32.600 0.019 0.000 1.409 447 M HN 0.431 nan 8.290 nan 0.000 0.467 448 E N 0.354 120.564 120.200 0.016 0.000 2.216 448 E HA -0.057 4.292 4.350 -0.000 0.000 0.192 448 E C 2.138 178.745 176.600 0.012 0.000 0.988 448 E CA 0.805 57.214 56.400 0.015 0.000 0.834 448 E CB -0.032 29.676 29.700 0.013 0.000 0.772 448 E HN 0.515 nan 8.360 nan 0.000 0.479 449 A N 2.194 125.021 122.820 0.011 0.000 1.902 449 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 449 A C -0.331 177.258 177.584 0.008 0.000 1.181 449 A CA 1.105 53.147 52.037 0.008 0.000 0.623 449 A CB -1.368 17.637 19.000 0.009 0.000 0.818 449 A HN 0.125 nan 8.150 nan 0.000 0.443 450 P HA -0.187 nan 4.420 nan 0.000 0.214 450 P C 1.804 179.112 177.300 0.013 0.000 1.163 450 P CA 1.066 64.174 63.100 0.013 0.000 0.889 450 P CB -0.130 31.581 31.700 0.017 0.000 0.790 451 L N -0.731 120.500 121.223 0.015 0.000 1.994 451 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 451 L C 2.501 179.370 176.870 -0.001 0.000 1.071 451 L CA 1.769 56.618 54.840 0.015 0.000 0.745 451 L CB -0.358 41.714 42.059 0.020 0.000 0.892 451 L HN -0.202 nan 8.230 nan 0.000 0.431 452 R N -0.847 119.649 120.500 -0.007 0.000 2.127 452 R HA -0.241 4.099 4.340 -0.000 0.000 0.238 452 R C 2.287 178.576 176.300 -0.017 0.000 1.134 452 R CA 1.668 57.757 56.100 -0.019 0.000 0.975 452 R CB -0.270 30.023 30.300 -0.012 0.000 0.865 452 R HN 0.409 nan 8.270 nan 0.000 0.447 453 Q N 0.737 120.533 119.800 -0.006 0.000 2.123 453 Q HA -0.011 4.329 4.340 -0.000 0.000 0.199 453 Q C 1.778 177.778 176.000 -0.001 0.000 0.966 453 Q CA 1.293 57.094 55.803 -0.003 0.000 0.845 453 Q CB 0.067 28.806 28.738 0.002 0.000 0.907 453 Q HN 0.336 nan 8.270 nan 0.000 0.439 454 I N -0.816 119.757 120.570 0.006 0.000 2.252 454 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 454 I C 1.902 178.031 176.117 0.020 0.000 1.102 454 I CA 0.703 62.014 61.300 0.019 0.000 1.385 454 I CB -0.245 37.777 38.000 0.035 0.000 1.064 454 I HN 0.008 nan 8.210 nan 0.000 0.414 455 V N 0.705 120.612 119.914 -0.012 0.000 2.427 455 V HA -0.248 3.871 4.120 -0.000 0.000 0.248 455 V C 2.390 178.456 176.094 -0.046 0.000 1.051 455 V CA 1.416 63.675 62.300 -0.068 0.000 1.048 455 V CB -0.512 31.204 31.823 -0.177 0.000 0.666 455 V HN 0.346 nan 8.190 nan 0.000 0.456 456 L N 0.950 122.155 121.223 -0.030 0.000 2.046 456 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 456 L C 2.146 179.011 176.870 -0.008 0.000 1.077 456 L CA 1.909 56.737 54.840 -0.020 0.000 0.747 456 L CB -0.781 41.269 42.059 -0.015 0.000 0.896 456 L HN 0.329 nan 8.230 nan 0.000 0.432 457 N N -1.548 117.152 118.700 -0.001 0.000 2.309 457 N HA -0.173 4.566 4.740 -0.000 0.000 0.182 457 N C 1.822 177.339 175.510 0.011 0.000 1.018 457 N CA 1.345 54.398 53.050 0.005 0.000 0.876 457 N CB -0.969 37.523 38.487 0.007 0.000 0.972 457 N HN 0.453 nan 8.380 nan 0.000 0.434 458 C N -0.073 119.240 119.300 0.021 0.000 2.539 458 C HA 0.300 4.759 4.460 -0.000 0.000 0.271 458 C C 1.817 176.822 174.990 0.025 0.000 1.412 458 C CA 0.793 59.834 59.018 0.039 0.000 1.729 458 C CB -1.597 26.203 27.740 0.099 0.000 1.739 458 C HN 0.637 nan 8.230 nan 0.000 0.570 459 G N 0.420 109.223 108.800 0.006 0.000 2.253 459 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.251 459 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.251 459 G C 0.020 174.915 174.900 -0.009 0.000 0.998 459 G CA 0.412 45.513 45.100 0.001 0.000 0.621 459 G HN 0.577 nan 8.290 nan 0.000 0.524 460 E N 1.360 121.548 120.200 -0.021 0.000 2.374 460 E HA 0.332 4.682 4.350 -0.000 0.000 0.260 460 E C 0.383 176.943 176.600 -0.067 0.000 1.101 460 E CA -0.267 56.103 56.400 -0.050 0.000 0.907 460 E CB 0.485 30.125 29.700 -0.099 0.000 1.014 460 E HN 0.596 nan 8.360 nan 0.000 0.427 461 E N 3.178 123.343 120.200 -0.057 0.000 2.265 461 E HA 0.001 4.350 4.350 -0.000 0.000 0.272 461 E C -1.392 175.164 176.600 -0.073 0.000 1.067 461 E CA -1.338 55.033 56.400 -0.049 0.000 0.900 461 E CB 0.657 30.340 29.700 -0.028 0.000 1.017 461 E HN 0.230 nan 8.360 nan 0.000 0.431 462 P HA -0.201 nan 4.420 nan 0.000 0.217 462 P C 1.103 178.372 177.300 -0.052 0.000 1.150 462 P CA 1.182 64.239 63.100 -0.072 0.000 0.832 462 P CB 0.237 31.910 31.700 -0.046 0.000 0.787 463 S N 0.023 115.704 115.700 -0.033 0.000 2.370 463 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 463 S C 2.157 176.748 174.600 -0.015 0.000 1.033 463 S CA 1.519 59.708 58.200 -0.018 0.000 1.011 463 S CB -1.875 61.318 63.200 -0.012 0.000 0.852 463 S HN -0.009 nan 8.310 nan 0.000 0.457 464 V N 1.683 121.585 119.914 -0.019 0.000 2.307 464 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 464 V C 2.602 178.699 176.094 0.006 0.000 1.045 464 V CA 1.471 63.768 62.300 -0.005 0.000 1.024 464 V CB -0.850 30.971 31.823 -0.002 0.000 0.651 464 V HN 0.420 nan 8.190 nan 0.000 0.449 465 V N 0.395 120.288 119.914 -0.034 0.000 2.307 465 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 465 V C 2.743 178.854 176.094 0.029 0.000 1.045 465 V CA 1.949 64.234 62.300 -0.026 0.000 1.024 465 V CB -1.109 30.521 31.823 -0.322 0.000 0.651 465 V HN 0.540 nan 8.190 nan 0.000 0.449 466 A N 0.233 123.049 122.820 -0.007 0.000 1.933 466 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 466 A C 2.036 179.642 177.584 0.037 0.000 1.175 466 A CA 2.343 54.392 52.037 0.019 0.000 0.628 466 A CB -0.852 18.150 19.000 0.003 0.000 0.814 466 A HN 0.606 nan 8.150 nan 0.000 0.444 467 N N -0.740 117.976 118.700 0.026 0.000 2.244 467 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 467 N C 1.585 177.116 175.510 0.035 0.000 1.016 467 N CA 1.952 55.017 53.050 0.025 0.000 0.866 467 N CB -0.186 38.308 38.487 0.013 0.000 0.980 467 N HN 0.444 nan 8.380 nan 0.000 0.430 468 T N -1.100 113.481 114.554 0.044 0.000 2.896 468 T HA -0.001 4.349 4.350 -0.000 0.000 0.263 468 T C 1.935 176.716 174.700 0.134 0.000 1.050 468 T CA 0.753 62.872 62.100 0.032 0.000 1.140 468 T CB -0.232 68.589 68.868 -0.078 0.000 0.877 468 T HN -0.020 nan 8.240 nan 0.000 0.457 469 V N 1.568 121.581 119.914 0.164 0.000 2.427 469 V HA -0.113 4.006 4.120 -0.000 0.000 0.248 469 V C 2.447 178.651 176.094 0.184 0.000 1.051 469 V CA 1.422 63.848 62.300 0.211 0.000 1.048 469 V CB -0.470 31.438 31.823 0.142 0.000 0.666 469 V HN 0.439 nan 8.190 nan 0.000 0.456 470 K N 0.196 120.662 120.400 0.109 0.000 2.148 470 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 470 K C 2.241 178.877 176.600 0.060 0.000 1.050 470 K CA 1.216 57.548 56.287 0.076 0.000 0.942 470 K CB -0.472 32.057 32.500 0.048 0.000 0.724 470 K HN 0.555 nan 8.250 nan 0.000 0.446 471 G N 1.263 110.095 108.800 0.053 0.000 2.404 471 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 471 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 471 G C 0.765 175.656 174.900 -0.015 0.000 1.174 471 G CA 0.667 45.774 45.100 0.012 0.000 0.780 471 G HN 0.370 nan 8.290 nan 0.000 0.537 472 G N -0.605 108.191 108.800 -0.006 0.000 2.572 472 G HA2 0.466 4.426 3.960 -0.000 0.000 0.261 472 G HA3 0.466 4.426 3.960 -0.000 0.000 0.261 472 G C -1.063 173.848 174.900 0.018 0.000 1.197 472 G CA -0.353 44.675 45.100 -0.119 0.000 0.870 472 G HN 0.145 nan 8.290 nan 0.000 0.548 473 D N -0.967 119.420 120.400 -0.022 0.000 2.419 473 D HA 0.614 5.254 4.640 -0.000 0.000 0.234 473 D C 0.817 177.160 176.300 0.071 0.000 1.014 473 D CA 0.945 54.966 54.000 0.034 0.000 0.919 473 D CB 1.918 42.719 40.800 0.002 0.000 1.366 473 D HN 0.880 nan 8.370 nan 0.000 0.490 474 G N 1.384 110.230 108.800 0.076 0.000 2.496 474 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.243 474 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.243 474 G C 0.084 175.048 174.900 0.108 0.000 1.176 474 G CA -0.361 44.787 45.100 0.079 0.000 0.940 474 G HN 0.589 nan 8.290 nan 0.000 0.573 475 N N 0.487 119.254 118.700 0.111 0.000 2.346 475 N HA 0.175 4.914 4.740 -0.000 0.000 0.225 475 N C -0.268 175.328 175.510 0.145 0.000 1.144 475 N CA -0.035 53.077 53.050 0.103 0.000 0.837 475 N CB 0.334 38.863 38.487 0.070 0.000 1.069 475 N HN 0.445 nan 8.380 nan 0.000 0.487 476 Y N 1.143 121.475 120.300 0.052 0.000 2.393 476 Y HA 0.424 4.974 4.550 -0.000 0.000 0.338 476 Y C 0.448 176.415 175.900 0.111 0.000 1.029 476 Y CA -0.210 57.935 58.100 0.075 0.000 1.239 476 Y CB 0.458 38.954 38.460 0.060 0.000 1.170 476 Y HN -0.014 nan 8.280 nan 0.000 0.515 477 G N 4.180 112.791 108.800 -0.315 0.000 2.870 477 G HA2 0.253 4.213 3.960 -0.000 0.000 0.299 477 G HA3 0.253 4.213 3.960 -0.000 0.000 0.299 477 G C -2.420 172.390 174.900 -0.150 0.000 1.324 477 G CA -0.899 44.087 45.100 -0.190 0.000 0.808 477 G HN 0.521 nan 8.290 nan 0.000 0.535 478 Y N 1.292 121.476 120.300 -0.194 0.000 2.335 478 Y HA 0.572 5.122 4.550 -0.001 0.000 0.338 478 Y C -0.215 175.542 175.900 -0.237 0.000 0.977 478 Y CA -1.225 56.681 58.100 -0.324 0.000 1.114 478 Y CB 1.604 39.861 38.460 -0.338 0.000 1.182 478 Y HN 0.411 nan 8.280 nan 0.000 0.463 479 N N 4.633 122.855 118.700 -0.796 0.000 2.437 479 N HA 0.218 4.958 4.740 -0.000 0.000 0.243 479 N C 0.311 175.303 175.510 -0.863 0.000 1.041 479 N CA 0.519 53.206 53.050 -0.605 0.000 0.940 479 N CB 1.520 39.764 38.487 -0.405 0.000 1.133 479 N HN 0.915 nan 8.380 nan 0.000 0.506 480 A N 3.709 126.268 122.820 -0.436 0.000 2.014 480 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 480 A C 1.991 179.485 177.584 -0.150 0.000 1.163 480 A CA 1.423 53.352 52.037 -0.180 0.000 0.652 480 A CB -0.406 18.628 19.000 0.058 0.000 0.808 480 A HN 0.697 nan 8.150 nan 0.000 0.449 481 A N -0.220 122.506 122.820 -0.157 0.000 1.898 481 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 481 A C 2.278 179.789 177.584 -0.120 0.000 1.181 481 A CA 2.281 54.254 52.037 -0.108 0.000 0.620 481 A CB -0.906 18.041 19.000 -0.088 0.000 0.819 481 A HN 0.726 nan 8.150 nan 0.000 0.442 482 T N -3.857 110.589 114.554 -0.181 0.000 3.040 482 T HA 0.272 4.622 4.350 -0.000 0.000 0.250 482 T C 0.288 174.876 174.700 -0.187 0.000 1.058 482 T CA 0.640 62.646 62.100 -0.156 0.000 0.988 482 T CB -0.174 68.608 68.868 -0.142 0.000 0.993 482 T HN 0.569 nan 8.240 nan 0.000 0.519 483 E N 1.097 121.116 120.200 -0.302 0.000 2.586 483 E HA -0.143 4.206 4.350 -0.000 0.000 0.259 483 E C -0.733 175.670 176.600 -0.329 0.000 1.107 483 E CA 0.537 56.760 56.400 -0.296 0.000 0.754 483 E CB -0.997 28.678 29.700 -0.042 0.000 1.335 483 E HN 0.644 nan 8.360 nan 0.000 0.411 484 E N -0.221 119.696 120.200 -0.472 0.000 2.212 484 E HA 0.359 4.709 4.350 -0.000 0.000 0.268 484 E C -0.455 175.899 176.600 -0.408 0.000 0.902 484 E CA -0.625 55.605 56.400 -0.283 0.000 0.779 484 E CB 1.070 30.685 29.700 -0.141 0.000 1.172 484 E HN 0.054 nan 8.360 nan 0.000 0.409 485 Y N 0.169 120.418 120.300 -0.086 0.000 2.326 485 Y HA 0.570 5.120 4.550 -0.000 0.000 0.324 485 Y C 1.239 177.091 175.900 -0.080 0.000 1.291 485 Y CA 0.583 58.615 58.100 -0.115 0.000 1.348 485 Y CB 1.572 40.024 38.460 -0.014 0.000 1.294 485 Y HN 0.700 nan 8.280 nan 0.000 0.525 486 G N 0.529 109.352 108.800 0.037 0.000 2.356 486 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.288 486 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.288 486 G C -1.820 173.135 174.900 0.091 0.000 1.302 486 G CA -1.246 43.934 45.100 0.134 0.000 0.887 486 G HN 0.542 nan 8.290 nan 0.000 0.521 487 N N 0.913 119.688 118.700 0.125 0.000 2.452 487 N HA 0.099 4.838 4.740 -0.000 0.000 0.266 487 N C 1.733 177.264 175.510 0.035 0.000 1.209 487 N CA -0.317 52.790 53.050 0.096 0.000 0.929 487 N CB 0.732 39.271 38.487 0.087 0.000 1.063 487 N HN 0.398 nan 8.380 nan 0.000 0.472 488 M N 3.651 123.265 119.600 0.024 0.000 2.132 488 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 488 M C 1.726 178.028 176.300 0.003 0.000 1.065 488 M CA 0.944 56.242 55.300 -0.002 0.000 1.122 488 M CB -0.623 31.976 32.600 -0.002 0.000 1.365 488 M HN 0.528 nan 8.290 nan 0.000 0.411 489 I N 0.764 121.344 120.570 0.017 0.000 2.226 489 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 489 I C 1.803 177.926 176.117 0.010 0.000 1.100 489 I CA 1.486 62.795 61.300 0.014 0.000 1.374 489 I CB -1.643 36.369 38.000 0.021 0.000 1.057 489 I HN 0.246 nan 8.210 nan 0.000 0.413 490 D N 0.361 120.771 120.400 0.015 0.000 2.219 490 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 490 D C 2.184 178.486 176.300 0.002 0.000 0.970 490 D CA 0.982 54.990 54.000 0.012 0.000 0.851 490 D CB -0.073 40.740 40.800 0.021 0.000 0.943 490 D HN 0.344 nan 8.370 nan 0.000 0.488 491 M N -0.872 118.725 119.600 -0.005 0.000 2.561 491 M HA 0.137 4.617 4.480 -0.000 0.000 0.238 491 M C 1.099 177.385 176.300 -0.023 0.000 1.131 491 M CA 0.383 55.670 55.300 -0.021 0.000 1.046 491 M CB 0.697 33.273 32.600 -0.040 0.000 1.532 491 M HN 0.092 nan 8.290 nan 0.000 0.497 492 G N 1.730 110.522 108.800 -0.014 0.000 2.162 492 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.260 492 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.260 492 G C 0.119 175.010 174.900 -0.015 0.000 0.976 492 G CA -0.212 44.881 45.100 -0.012 0.000 0.655 492 G HN 0.480 nan 8.290 nan 0.000 0.533 493 I N 1.502 122.060 120.570 -0.020 0.000 2.294 493 I HA 0.498 4.667 4.170 -0.000 0.000 0.295 493 I C 0.256 176.368 176.117 -0.009 0.000 1.098 493 I CA -0.554 60.734 61.300 -0.021 0.000 1.277 493 I CB 0.374 38.352 38.000 -0.037 0.000 1.434 493 I HN 0.259 nan 8.210 nan 0.000 0.498 494 L N 3.996 125.217 121.223 -0.003 0.000 2.506 494 L HA 0.711 5.050 4.340 -0.000 0.000 0.257 494 L C -1.418 175.456 176.870 0.007 0.000 0.964 494 L CA -0.825 54.018 54.840 0.005 0.000 0.836 494 L CB 1.661 43.724 42.059 0.007 0.000 1.384 494 L HN 0.095 nan 8.230 nan 0.000 0.410 495 D N 1.143 121.550 120.400 0.012 0.000 2.375 495 D HA 0.484 5.124 4.640 -0.000 0.000 0.247 495 D C -2.706 173.605 176.300 0.019 0.000 1.061 495 D CA -1.276 52.733 54.000 0.015 0.000 0.834 495 D CB 2.319 43.129 40.800 0.017 0.000 1.247 495 D HN 0.373 nan 8.370 nan 0.000 0.489 496 P HA 0.030 nan 4.420 nan 0.000 0.264 496 P C 0.907 178.223 177.300 0.026 0.000 1.193 496 P CA 0.064 63.178 63.100 0.024 0.000 0.763 496 P CB 0.597 32.314 31.700 0.028 0.000 0.810 497 T N 2.584 117.152 114.554 0.024 0.000 2.737 497 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 497 T C 1.623 176.341 174.700 0.031 0.000 1.040 497 T CA 1.360 63.475 62.100 0.025 0.000 1.142 497 T CB -0.312 68.569 68.868 0.022 0.000 0.861 497 T HN 0.494 nan 8.240 nan 0.000 0.456 498 K N 0.538 120.958 120.400 0.033 0.000 2.063 498 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 498 K C 2.385 179.017 176.600 0.053 0.000 1.048 498 K CA 1.364 57.676 56.287 0.042 0.000 0.928 498 K CB -0.490 32.035 32.500 0.042 0.000 0.713 498 K HN 0.241 nan 8.250 nan 0.000 0.442 499 V N 0.791 120.733 119.914 0.048 0.000 2.427 499 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 499 V C 1.656 177.780 176.094 0.050 0.000 1.051 499 V CA 2.529 64.858 62.300 0.049 0.000 1.048 499 V CB -0.385 31.460 31.823 0.036 0.000 0.666 499 V HN 0.464 nan 8.190 nan 0.000 0.456 500 T N 0.125 114.704 114.554 0.042 0.000 2.857 500 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 500 T C 1.958 176.686 174.700 0.047 0.000 1.048 500 T CA 1.590 63.714 62.100 0.040 0.000 1.139 500 T CB -0.313 68.574 68.868 0.032 0.000 0.874 500 T HN 0.518 nan 8.240 nan 0.000 0.455 501 R N 1.006 121.535 120.500 0.047 0.000 2.075 501 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 501 R C 2.510 178.851 176.300 0.068 0.000 1.126 501 R CA 1.524 57.650 56.100 0.044 0.000 0.963 501 R CB -0.297 30.024 30.300 0.034 0.000 0.858 501 R HN 0.232 nan 8.270 nan 0.000 0.435 502 S N 0.492 116.257 115.700 0.108 0.000 2.355 502 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 502 S C 1.983 176.732 174.600 0.247 0.000 1.031 502 S CA 1.142 59.474 58.200 0.221 0.000 0.993 502 S CB -0.187 63.147 63.200 0.224 0.000 0.859 502 S HN 0.560 nan 8.310 nan 0.000 0.453 503 A N 1.034 123.936 122.820 0.136 0.000 1.940 503 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 503 A C 2.122 179.768 177.584 0.103 0.000 1.176 503 A CA 1.375 53.476 52.037 0.106 0.000 0.631 503 A CB -0.579 18.456 19.000 0.059 0.000 0.814 503 A HN 0.421 nan 8.150 nan 0.000 0.446 504 L N -0.692 120.578 121.223 0.078 0.000 2.068 504 L HA -0.077 4.263 4.340 -0.000 0.000 0.204 504 L C 2.481 179.377 176.870 0.044 0.000 1.076 504 L CA 2.056 56.927 54.840 0.052 0.000 0.753 504 L CB -0.663 41.416 42.059 0.033 0.000 0.910 504 L HN 0.464 nan 8.230 nan 0.000 0.439 505 Q N -1.617 118.198 119.800 0.024 0.000 2.050 505 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 505 Q C 2.180 178.136 176.000 -0.074 0.000 0.980 505 Q CA 2.278 58.046 55.803 -0.058 0.000 0.840 505 Q CB -0.326 28.326 28.738 -0.144 0.000 0.898 505 Q HN 0.513 nan 8.270 nan 0.000 0.424 506 Y N -0.038 120.267 120.300 0.007 0.000 2.145 506 Y HA -0.211 4.338 4.550 -0.000 0.000 0.286 506 Y C 2.371 178.274 175.900 0.006 0.000 1.145 506 Y CA 1.191 59.295 58.100 0.006 0.000 1.148 506 Y CB -0.485 37.978 38.460 0.005 0.000 0.981 506 Y HN 0.151 nan 8.280 nan 0.000 0.507 507 A N -0.209 122.708 122.820 0.161 0.000 1.972 507 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 507 A C 2.379 179.997 177.584 0.057 0.000 1.169 507 A CA 1.775 53.867 52.037 0.092 0.000 0.635 507 A CB -1.119 17.923 19.000 0.069 0.000 0.810 507 A HN 0.412 nan 8.150 nan 0.000 0.446 508 A N -1.118 121.726 122.820 0.040 0.000 1.929 508 A HA 0.002 4.321 4.320 -0.000 0.000 0.216 508 A C 2.419 180.011 177.584 0.013 0.000 1.176 508 A CA 1.804 53.851 52.037 0.018 0.000 0.628 508 A CB -0.857 18.145 19.000 0.003 0.000 0.816 508 A HN 0.515 nan 8.150 nan 0.000 0.444 509 S N -0.745 114.959 115.700 0.006 0.000 2.359 509 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 509 S C 1.967 176.583 174.600 0.026 0.000 1.035 509 S CA 1.813 60.012 58.200 -0.001 0.000 1.018 509 S CB -0.488 62.695 63.200 -0.028 0.000 0.876 509 S HN 0.435 nan 8.310 nan 0.000 0.448 510 V N 1.522 121.466 119.914 0.050 0.000 2.379 510 V HA 0.035 4.154 4.120 -0.000 0.000 0.245 510 V C 2.602 178.716 176.094 0.034 0.000 1.044 510 V CA 1.889 64.217 62.300 0.048 0.000 1.036 510 V CB -0.989 30.869 31.823 0.059 0.000 0.664 510 V HN 0.576 nan 8.190 nan 0.000 0.453 511 A N 0.029 122.868 122.820 0.031 0.000 1.940 511 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 511 A C 2.336 179.932 177.584 0.020 0.000 1.176 511 A CA 1.964 54.016 52.037 0.024 0.000 0.631 511 A CB -1.365 17.648 19.000 0.023 0.000 0.814 511 A HN 0.646 nan 8.150 nan 0.000 0.446 512 G N -0.202 108.608 108.800 0.017 0.000 2.418 512 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 512 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 512 G C 1.545 176.454 174.900 0.015 0.000 1.158 512 G CA 1.054 46.162 45.100 0.012 0.000 0.771 512 G HN 0.443 nan 8.290 nan 0.000 0.545 513 L N -0.368 120.866 121.223 0.018 0.000 2.093 513 L HA 0.052 4.391 4.340 -0.000 0.000 0.208 513 L C 3.023 179.906 176.870 0.022 0.000 1.085 513 L CA 0.812 55.663 54.840 0.020 0.000 0.755 513 L CB -0.234 41.838 42.059 0.022 0.000 0.904 513 L HN 0.212 nan 8.230 nan 0.000 0.435 514 M N -0.915 118.699 119.600 0.023 0.000 2.349 514 M HA -0.123 4.357 4.480 -0.000 0.000 0.266 514 M C 2.165 178.478 176.300 0.022 0.000 1.076 514 M CA 1.490 56.804 55.300 0.024 0.000 1.126 514 M CB -0.025 32.589 32.600 0.025 0.000 1.392 514 M HN 0.206 nan 8.290 nan 0.000 0.440 515 I N -0.158 120.423 120.570 0.020 0.000 2.439 515 I HA -0.191 3.978 4.170 -0.000 0.000 0.251 515 I C 1.830 177.958 176.117 0.019 0.000 1.139 515 I CA 1.241 62.552 61.300 0.018 0.000 1.438 515 I CB -0.178 37.831 38.000 0.015 0.000 1.085 515 I HN 0.327 nan 8.210 nan 0.000 0.427 516 T N -2.569 111.997 114.554 0.020 0.000 3.272 516 T HA 0.102 4.451 4.350 -0.000 0.000 0.250 516 T C 0.628 175.344 174.700 0.027 0.000 1.082 516 T CA -0.165 61.948 62.100 0.022 0.000 0.968 516 T CB -0.751 68.128 68.868 0.019 0.000 1.015 516 T HN -0.002 nan 8.240 nan 0.000 0.563 517 T N 2.407 116.978 114.554 0.028 0.000 2.780 517 T HA 0.291 4.641 4.350 -0.000 0.000 0.294 517 T C 0.615 175.339 174.700 0.040 0.000 0.949 517 T CA -0.538 61.582 62.100 0.033 0.000 1.074 517 T CB 1.573 70.460 68.868 0.031 0.000 0.910 517 T HN 0.124 nan 8.240 nan 0.000 0.501 518 E N 0.494 120.727 120.200 0.054 0.000 2.421 518 E HA 0.157 4.507 4.350 -0.000 0.000 0.209 518 E C 0.082 176.743 176.600 0.102 0.000 0.871 518 E CA 0.145 56.594 56.400 0.083 0.000 1.064 518 E CB 0.884 30.644 29.700 0.100 0.000 1.075 518 E HN 0.576 nan 8.360 nan 0.000 0.513 519 C N 1.039 120.373 119.300 0.057 0.000 2.609 519 C HA 0.697 5.156 4.460 -0.000 0.000 0.313 519 C C -1.022 173.938 174.990 -0.050 0.000 1.175 519 C CA -0.524 58.469 59.018 -0.041 0.000 1.434 519 C CB 0.198 27.948 27.740 0.017 0.000 2.005 519 C HN 0.152 nan 8.230 nan 0.000 0.471 520 M N 5.339 124.890 119.600 -0.081 0.000 2.326 520 M HA 0.565 5.045 4.480 -0.000 0.000 0.306 520 M C -1.100 175.254 176.300 0.089 0.000 1.054 520 M CA -0.507 54.835 55.300 0.070 0.000 0.922 520 M CB 2.108 34.861 32.600 0.256 0.000 1.632 520 M HN 0.382 nan 8.290 nan 0.000 0.436 521 V N 1.768 121.689 119.914 0.011 0.000 2.407 521 V HA 0.669 4.788 4.120 -0.000 0.000 0.291 521 V C -0.304 175.714 176.094 -0.128 0.000 1.018 521 V CA -0.401 61.876 62.300 -0.039 0.000 0.842 521 V CB 1.781 33.581 31.823 -0.039 0.000 0.996 521 V HN 0.935 nan 8.190 nan 0.000 0.426 522 T N 2.151 116.567 114.554 -0.231 0.000 2.865 522 T HA 0.448 4.797 4.350 -0.000 0.000 0.294 522 T C -1.140 173.428 174.700 -0.219 0.000 1.119 522 T CA -0.542 61.373 62.100 -0.308 0.000 1.007 522 T CB 1.889 70.397 68.868 -0.600 0.000 1.225 522 T HN 0.617 nan 8.240 nan 0.000 0.515 523 D N 1.420 121.712 120.400 -0.180 0.000 2.382 523 D HA 0.301 4.941 4.640 -0.000 0.000 0.240 523 D C -0.123 176.111 176.300 -0.109 0.000 1.146 523 D CA -0.037 53.895 54.000 -0.114 0.000 0.897 523 D CB 0.480 41.228 40.800 -0.087 0.000 1.197 523 D HN 0.336 nan 8.370 nan 0.000 0.432 524 L N 3.611 124.800 121.223 -0.057 0.000 2.367 524 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 524 L C -1.609 175.246 176.870 -0.025 0.000 1.129 524 L CA -0.958 53.865 54.840 -0.028 0.000 0.839 524 L CB 0.206 42.261 42.059 -0.006 0.000 1.133 524 L HN 0.375 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 525 P CB 0.000 31.706 31.700 0.010 0.000 0.726