REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1kpo_1_U DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.000 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 3 A N 1.296 124.115 122.820 -0.002 0.000 2.547 3 A HA 0.387 4.707 4.320 -0.000 0.000 0.269 3 A C 0.455 178.036 177.584 -0.004 0.000 1.041 3 A CA 0.690 52.725 52.037 -0.002 0.000 0.855 3 A CB -0.737 18.259 19.000 -0.007 0.000 0.934 3 A HN 0.553 nan 8.150 nan 0.000 0.521 4 K N 1.846 122.249 120.400 0.004 0.000 2.109 4 K HA 0.412 4.732 4.320 -0.000 0.000 0.243 4 K C -0.545 176.058 176.600 0.005 0.000 1.006 4 K CA -0.632 55.660 56.287 0.008 0.000 0.917 4 K CB 0.835 33.350 32.500 0.026 0.000 1.081 4 K HN 0.722 nan 8.250 nan 0.000 0.468 5 D N 0.209 120.618 120.400 0.015 0.000 2.362 5 D HA 0.416 5.056 4.640 -0.000 0.000 0.247 5 D C -1.499 174.861 176.300 0.100 0.000 1.050 5 D CA -0.697 53.317 54.000 0.024 0.000 0.839 5 D CB 1.493 42.270 40.800 -0.039 0.000 1.283 5 D HN 0.052 nan 8.370 nan 0.000 0.477 6 V N 3.817 123.742 119.914 0.020 0.000 2.623 6 V HA 0.451 4.571 4.120 -0.000 0.000 0.304 6 V C -0.272 175.583 176.094 -0.397 0.000 1.054 6 V CA -0.748 61.472 62.300 -0.133 0.000 0.882 6 V CB 2.023 33.728 31.823 -0.196 0.000 1.002 6 V HN 0.456 nan 8.190 nan 0.000 0.424 7 K N 3.534 123.627 120.400 -0.511 0.000 2.375 7 K HA 0.819 5.139 4.320 -0.000 0.000 0.249 7 K C -1.720 174.506 176.600 -0.625 0.000 0.942 7 K CA -0.497 55.438 56.287 -0.587 0.000 0.806 7 K CB 2.374 34.663 32.500 -0.352 0.000 1.227 7 K HN 0.446 nan 8.250 nan 0.000 0.430 8 F N -0.194 119.709 119.950 -0.078 0.000 2.620 8 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 8 F C 0.896 176.661 175.800 -0.058 0.000 1.069 8 F CA -0.461 57.497 58.000 -0.070 0.000 0.953 8 F CB 1.248 40.224 39.000 -0.040 0.000 1.322 8 F HN 0.767 nan 8.300 nan 0.000 0.479 9 G N 1.323 110.225 108.800 0.171 0.000 2.601 9 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G C 0.803 175.721 174.900 0.030 0.000 1.289 9 G CA 0.403 45.548 45.100 0.076 0.000 0.920 9 G HN 0.831 nan 8.290 nan 0.000 0.571 10 N N 0.262 118.975 118.700 0.021 0.000 2.100 10 N HA -0.279 4.461 4.740 -0.000 0.000 0.199 10 N C 1.739 177.246 175.510 -0.006 0.000 1.017 10 N CA 2.293 55.348 53.050 0.008 0.000 0.890 10 N CB -0.392 38.102 38.487 0.012 0.000 1.080 10 N HN 0.697 nan 8.380 nan 0.000 0.525 11 D N 0.716 121.114 120.400 -0.003 0.000 2.355 11 D HA -0.267 4.373 4.640 -0.000 0.000 0.192 11 D C 1.814 178.070 176.300 -0.073 0.000 1.014 11 D CA 1.906 55.895 54.000 -0.018 0.000 0.862 11 D CB -0.793 39.998 40.800 -0.015 0.000 0.986 11 D HN 0.441 nan 8.370 nan 0.000 0.456 12 A N -0.072 122.673 122.820 -0.125 0.000 2.032 12 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 12 A C 2.118 179.608 177.584 -0.158 0.000 1.165 12 A CA 1.919 53.816 52.037 -0.233 0.000 0.645 12 A CB -0.368 18.531 19.000 -0.169 0.000 0.807 12 A HN 0.189 nan 8.150 nan 0.000 0.453 13 R N -1.109 119.347 120.500 -0.075 0.000 2.072 13 R HA 0.018 4.358 4.340 -0.000 0.000 0.214 13 R C 2.223 178.508 176.300 -0.025 0.000 1.168 13 R CA 1.082 57.155 56.100 -0.044 0.000 1.020 13 R CB -0.719 29.568 30.300 -0.022 0.000 0.914 13 R HN 0.497 nan 8.270 nan 0.000 0.449 14 V N 0.881 120.787 119.914 -0.013 0.000 2.439 14 V HA -0.292 3.828 4.120 -0.000 0.000 0.253 14 V C 1.857 177.958 176.094 0.012 0.000 1.074 14 V CA 1.695 63.996 62.300 0.002 0.000 1.076 14 V CB -0.529 31.299 31.823 0.009 0.000 0.664 14 V HN 0.148 nan 8.190 nan 0.000 0.461 15 K N -0.109 120.299 120.400 0.013 0.000 2.026 15 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 15 K C 2.262 178.885 176.600 0.039 0.000 1.048 15 K CA 2.103 58.421 56.287 0.052 0.000 0.929 15 K CB -0.540 32.022 32.500 0.104 0.000 0.713 15 K HN 0.546 nan 8.250 nan 0.000 0.439 16 M N 0.476 120.077 119.600 0.003 0.000 2.080 16 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 16 M C 2.228 178.534 176.300 0.010 0.000 1.068 16 M CA 1.229 56.531 55.300 0.004 0.000 1.109 16 M CB -0.429 32.160 32.600 -0.018 0.000 1.342 16 M HN 0.066 nan 8.290 nan 0.000 0.405 17 L N 0.781 122.007 121.223 0.005 0.000 1.932 17 L HA -0.227 4.113 4.340 -0.000 0.000 0.217 17 L C 2.434 179.311 176.870 0.011 0.000 1.077 17 L CA 2.114 56.958 54.840 0.007 0.000 0.765 17 L CB -1.025 41.036 42.059 0.005 0.000 0.888 17 L HN 0.162 nan 8.230 nan 0.000 0.433 18 R N 0.317 120.825 120.500 0.014 0.000 2.174 18 R HA -0.143 4.197 4.340 -0.000 0.000 0.253 18 R C 2.112 178.423 176.300 0.018 0.000 1.165 18 R CA 1.856 57.965 56.100 0.016 0.000 0.984 18 R CB -1.561 28.752 30.300 0.021 0.000 0.873 18 R HN 0.629 nan 8.270 nan 0.000 0.456 19 G N -0.591 108.223 108.800 0.025 0.000 2.408 19 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 19 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 19 G C 1.417 176.327 174.900 0.017 0.000 1.150 19 G CA 1.050 46.166 45.100 0.026 0.000 0.776 19 G HN 0.378 nan 8.290 nan 0.000 0.542 20 V N -1.185 118.737 119.914 0.013 0.000 2.649 20 V HA 0.013 4.133 4.120 -0.000 0.000 0.248 20 V C 2.183 178.281 176.094 0.006 0.000 1.054 20 V CA 1.607 63.912 62.300 0.008 0.000 1.073 20 V CB -0.604 31.224 31.823 0.007 0.000 0.699 20 V HN 0.130 nan 8.190 nan 0.000 0.463 21 N N 1.050 119.754 118.700 0.006 0.000 2.258 21 N HA -0.130 4.610 4.740 -0.000 0.000 0.187 21 N C 1.630 177.142 175.510 0.003 0.000 1.012 21 N CA 1.681 54.734 53.050 0.004 0.000 0.870 21 N CB -0.414 38.076 38.487 0.005 0.000 0.977 21 N HN 0.527 nan 8.380 nan 0.000 0.434 22 V N 0.697 120.613 119.914 0.004 0.000 2.256 22 V HA -0.135 3.985 4.120 -0.000 0.000 0.240 22 V C 2.323 178.417 176.094 -0.000 0.000 1.036 22 V CA 0.851 63.152 62.300 0.002 0.000 1.008 22 V CB -0.644 31.180 31.823 0.002 0.000 0.648 22 V HN 0.178 nan 8.190 nan 0.000 0.453 23 L N 0.765 121.989 121.223 0.000 0.000 2.089 23 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 23 L C 2.227 179.096 176.870 -0.002 0.000 1.079 23 L CA 2.525 57.364 54.840 -0.002 0.000 0.758 23 L CB -0.990 41.069 42.059 -0.001 0.000 0.891 23 L HN 0.286 nan 8.230 nan 0.000 0.433 24 A N -0.829 121.991 122.820 -0.000 0.000 1.824 24 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 24 A C 1.966 179.549 177.584 -0.002 0.000 1.244 24 A CA 1.420 53.457 52.037 -0.001 0.000 0.604 24 A CB -1.170 17.830 19.000 0.001 0.000 0.900 24 A HN 0.482 nan 8.150 nan 0.000 0.455 25 D N 0.206 120.605 120.400 -0.002 0.000 2.276 25 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 25 D C 1.599 177.897 176.300 -0.004 0.000 1.004 25 D CA 1.651 55.649 54.000 -0.003 0.000 0.898 25 D CB -0.285 40.514 40.800 -0.002 0.000 0.906 25 D HN 0.439 nan 8.370 nan 0.000 0.457 26 A N -0.450 122.368 122.820 -0.004 0.000 2.337 26 A HA 0.274 4.594 4.320 -0.000 0.000 0.227 26 A C 1.669 179.250 177.584 -0.005 0.000 1.259 26 A CA -0.010 52.024 52.037 -0.005 0.000 0.870 26 A CB 0.536 19.533 19.000 -0.005 0.000 0.927 26 A HN 0.133 nan 8.150 nan 0.000 0.497 27 V N -0.824 119.087 119.914 -0.005 0.000 3.245 27 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 27 V C 1.615 177.706 176.094 -0.005 0.000 1.487 27 V CA 0.855 63.152 62.300 -0.005 0.000 1.154 27 V CB 0.039 31.859 31.823 -0.005 0.000 0.971 27 V HN 0.667 nan 8.190 nan 0.000 0.443 28 K N 2.257 122.654 120.400 -0.005 0.000 2.665 28 K HA 0.011 4.331 4.320 -0.000 0.000 0.196 28 K C 1.181 177.777 176.600 -0.007 0.000 1.021 28 K CA 1.402 57.685 56.287 -0.006 0.000 1.066 28 K CB -0.142 32.354 32.500 -0.006 0.000 0.849 28 K HN 0.522 nan 8.250 nan 0.000 0.500 29 V N -2.851 117.059 119.914 -0.006 0.000 2.908 29 V HA -0.032 4.088 4.120 -0.000 0.000 0.240 29 V C 2.088 178.178 176.094 -0.006 0.000 1.117 29 V CA 0.743 63.039 62.300 -0.006 0.000 1.133 29 V CB -0.242 31.577 31.823 -0.006 0.000 0.857 29 V HN 0.427 nan 8.190 nan 0.000 0.478 30 T N -0.483 114.068 114.554 -0.005 0.000 3.400 30 T HA 0.130 4.480 4.350 -0.000 0.000 0.254 30 T C 0.415 175.113 174.700 -0.004 0.000 1.153 30 T CA 0.130 62.227 62.100 -0.004 0.000 1.012 30 T CB -0.972 67.893 68.868 -0.005 0.000 0.994 30 T HN 0.280 nan 8.240 nan 0.000 0.555 31 L N 2.201 123.422 121.223 -0.004 0.000 2.313 31 L HA 0.591 4.931 4.340 -0.000 0.000 0.282 31 L C 0.962 177.831 176.870 -0.003 0.000 1.092 31 L CA 1.472 56.310 54.840 -0.004 0.000 0.831 31 L CB -0.283 41.772 42.059 -0.006 0.000 1.159 31 L HN 0.645 nan 8.230 nan 0.000 0.442 32 G N 5.032 113.832 108.800 -0.000 0.000 2.527 32 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.227 32 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.227 32 G C -2.000 172.902 174.900 0.003 0.000 1.291 32 G CA -0.083 45.019 45.100 0.003 0.000 0.904 32 G HN 0.591 nan 8.290 nan 0.000 0.577 33 P HA 0.207 nan 4.420 nan 0.000 0.221 33 P C 0.924 178.227 177.300 0.004 0.000 1.152 33 P CA 0.849 63.952 63.100 0.004 0.000 0.851 33 P CB 0.194 31.896 31.700 0.005 0.000 0.833 34 K N 1.103 121.507 120.400 0.007 0.000 2.627 34 K HA 0.269 4.589 4.320 -0.000 0.000 0.212 34 K C 0.999 177.600 176.600 0.002 0.000 1.041 34 K CA -0.131 56.160 56.287 0.006 0.000 1.205 34 K CB -0.485 32.022 32.500 0.012 0.000 0.936 34 K HN 0.115 nan 8.250 nan 0.000 0.489 35 G N 1.378 110.179 108.800 0.001 0.000 2.483 35 G HA2 0.170 4.130 3.960 -0.000 0.000 0.248 35 G HA3 0.170 4.130 3.960 -0.000 0.000 0.248 35 G C 0.190 175.088 174.900 -0.002 0.000 1.248 35 G CA -0.471 44.629 45.100 -0.002 0.000 0.838 35 G HN 0.066 nan 8.290 nan 0.000 0.566 36 R N 0.884 121.382 120.500 -0.003 0.000 2.531 36 R HA 0.286 4.626 4.340 -0.000 0.000 0.260 36 R C -0.246 176.052 176.300 -0.003 0.000 1.144 36 R CA -0.920 55.178 56.100 -0.003 0.000 1.171 36 R CB 0.032 30.330 30.300 -0.003 0.000 1.199 36 R HN 0.577 nan 8.270 nan 0.000 0.594 37 N N -1.099 117.600 118.700 -0.003 0.000 2.443 37 N HA 0.393 5.133 4.740 -0.000 0.000 0.295 37 N C -1.129 174.379 175.510 -0.003 0.000 1.076 37 N CA -0.526 52.522 53.050 -0.003 0.000 0.919 37 N CB 1.767 40.253 38.487 -0.002 0.000 1.176 37 N HN 0.089 nan 8.380 nan 0.000 0.487 38 V N 1.867 121.779 119.914 -0.004 0.000 2.540 38 V HA 0.393 4.513 4.120 -0.000 0.000 0.302 38 V C -0.513 175.578 176.094 -0.005 0.000 1.035 38 V CA -0.825 61.472 62.300 -0.005 0.000 0.873 38 V CB 1.778 33.598 31.823 -0.005 0.000 0.992 38 V HN 0.372 nan 8.190 nan 0.000 0.428 39 V N 6.197 126.108 119.914 -0.005 0.000 2.383 39 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 39 V C -0.100 175.990 176.094 -0.007 0.000 1.036 39 V CA -0.479 61.818 62.300 -0.005 0.000 0.889 39 V CB 1.268 33.089 31.823 -0.004 0.000 0.985 39 V HN 0.626 nan 8.190 nan 0.000 0.459 40 L N 3.575 124.793 121.223 -0.007 0.000 2.321 40 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 40 L C 0.130 176.992 176.870 -0.013 0.000 1.050 40 L CA -0.492 54.342 54.840 -0.011 0.000 0.893 40 L CB 0.885 42.938 42.059 -0.011 0.000 1.272 40 L HN 0.629 nan 8.230 nan 0.000 0.435 41 D N 3.153 123.544 120.400 -0.015 0.000 2.571 41 D HA -0.032 4.608 4.640 -0.000 0.000 0.231 41 D C -0.027 176.257 176.300 -0.028 0.000 1.133 41 D CA 1.091 55.079 54.000 -0.019 0.000 0.862 41 D CB 0.890 41.676 40.800 -0.023 0.000 1.179 41 D HN 0.334 nan 8.370 nan 0.000 0.474 42 K N 0.985 121.369 120.400 -0.027 0.000 2.238 42 K HA 0.361 4.681 4.320 -0.000 0.000 0.239 42 K C 1.031 177.590 176.600 -0.068 0.000 0.987 42 K CA -0.595 55.670 56.287 -0.038 0.000 0.857 42 K CB 1.243 33.737 32.500 -0.010 0.000 1.154 42 K HN 0.545 nan 8.250 nan 0.000 0.439 43 S N 0.854 116.472 115.700 -0.136 0.000 2.311 43 S HA 0.049 4.519 4.470 -0.000 0.000 0.209 43 S C 0.464 174.955 174.600 -0.182 0.000 1.029 43 S CA 0.472 58.506 58.200 -0.278 0.000 0.968 43 S CB -0.331 62.537 63.200 -0.554 0.000 0.946 43 S HN 0.365 nan 8.310 nan 0.000 0.450 44 F N 3.134 123.082 119.950 -0.002 0.000 2.404 44 F HA 0.709 5.236 4.527 -0.000 0.000 0.358 44 F C 1.238 177.037 175.800 -0.002 0.000 1.120 44 F CA 0.011 58.010 58.000 -0.002 0.000 1.144 44 F CB 0.586 39.584 39.000 -0.002 0.000 1.133 44 F HN 0.810 nan 8.300 nan 0.000 0.495 45 G N 1.335 110.247 108.800 0.188 0.000 2.352 45 G HA2 0.378 4.338 3.960 -0.000 0.000 0.324 45 G HA3 0.378 4.338 3.960 -0.000 0.000 0.324 45 G C -1.458 173.480 174.900 0.063 0.000 1.249 45 G CA -0.582 44.579 45.100 0.102 0.000 1.053 45 G HN 0.907 nan 8.290 nan 0.000 0.492 46 A N 0.500 123.346 122.820 0.043 0.000 2.303 46 A HA 0.872 5.191 4.320 -0.000 0.000 0.317 46 A C -1.640 175.956 177.584 0.019 0.000 1.149 46 A CA -0.758 51.295 52.037 0.027 0.000 0.822 46 A CB 0.173 19.186 19.000 0.022 0.000 1.131 46 A HN 0.675 nan 8.150 nan 0.000 0.493 47 P HA 0.154 nan 4.420 nan 0.000 0.270 47 P C -0.275 177.029 177.300 0.005 0.000 1.221 47 P CA 0.366 63.469 63.100 0.005 0.000 0.788 47 P CB 0.338 32.039 31.700 0.003 0.000 0.904 48 T N 1.798 116.353 114.554 0.001 0.000 2.797 48 T HA 0.552 4.902 4.350 -0.000 0.000 0.279 48 T C 0.067 174.767 174.700 -0.000 0.000 0.991 48 T CA -0.339 61.762 62.100 0.002 0.000 0.979 48 T CB 0.242 69.110 68.868 0.001 0.000 0.943 48 T HN 0.156 nan 8.240 nan 0.000 0.444 49 I N 2.667 123.238 120.570 0.001 0.000 2.362 49 I HA 0.575 4.745 4.170 -0.000 0.000 0.289 49 I C 0.383 176.500 176.117 -0.001 0.000 0.994 49 I CA -0.498 60.802 61.300 -0.000 0.000 1.158 49 I CB 1.744 39.745 38.000 0.001 0.000 1.315 49 I HN 0.515 nan 8.210 nan 0.000 0.451 50 T N 4.192 118.745 114.554 -0.002 0.000 2.762 50 T HA 0.421 4.771 4.350 -0.000 0.000 0.301 50 T C -0.281 174.417 174.700 -0.003 0.000 1.299 50 T CA -0.558 61.541 62.100 -0.002 0.000 1.005 50 T CB 1.837 70.704 68.868 -0.003 0.000 1.377 50 T HN 0.676 nan 8.240 nan 0.000 0.504 51 K N 0.801 121.199 120.400 -0.004 0.000 2.536 51 K HA 0.209 4.529 4.320 -0.000 0.000 0.203 51 K C -0.862 175.735 176.600 -0.005 0.000 1.063 51 K CA -0.247 56.037 56.287 -0.004 0.000 1.063 51 K CB 0.619 33.117 32.500 -0.003 0.000 0.843 51 K HN 0.368 nan 8.250 nan 0.000 0.521 52 D N 0.873 121.269 120.400 -0.006 0.000 2.483 52 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 52 D C 1.327 177.622 176.300 -0.009 0.000 1.173 52 D CA -0.085 53.910 54.000 -0.008 0.000 0.964 52 D CB 0.664 41.459 40.800 -0.009 0.000 1.046 52 D HN 0.276 nan 8.370 nan 0.000 0.517 53 G N 2.056 110.851 108.800 -0.009 0.000 2.581 53 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.223 53 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.223 53 G C 1.441 176.334 174.900 -0.011 0.000 1.094 53 G CA 0.970 46.065 45.100 -0.009 0.000 0.736 53 G HN 0.471 nan 8.290 nan 0.000 0.588 54 V N 0.512 120.418 119.914 -0.013 0.000 2.283 54 V HA -0.129 3.991 4.120 -0.000 0.000 0.243 54 V C 2.989 179.075 176.094 -0.014 0.000 1.039 54 V CA 2.125 64.416 62.300 -0.015 0.000 1.016 54 V CB -0.627 31.184 31.823 -0.019 0.000 0.650 54 V HN 0.367 nan 8.190 nan 0.000 0.449 55 S N -0.046 115.647 115.700 -0.012 0.000 2.399 55 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 55 S C 1.974 176.567 174.600 -0.011 0.000 1.022 55 S CA 1.345 59.538 58.200 -0.011 0.000 0.983 55 S CB -0.181 63.013 63.200 -0.009 0.000 0.803 55 S HN 0.356 nan 8.310 nan 0.000 0.480 56 V N 1.588 121.495 119.914 -0.010 0.000 2.515 56 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 56 V C 2.452 178.539 176.094 -0.011 0.000 1.058 56 V CA 1.484 63.778 62.300 -0.010 0.000 1.064 56 V CB -1.060 30.758 31.823 -0.009 0.000 0.675 56 V HN 0.524 nan 8.190 nan 0.000 0.461 57 A N -0.187 122.626 122.820 -0.012 0.000 1.825 57 A HA -0.196 4.124 4.320 -0.000 0.000 0.214 57 A C 2.328 179.904 177.584 -0.014 0.000 1.206 57 A CA 1.626 53.656 52.037 -0.013 0.000 0.609 57 A CB -0.668 18.324 19.000 -0.014 0.000 0.851 57 A HN 0.378 nan 8.150 nan 0.000 0.445 58 R N -0.278 120.212 120.500 -0.015 0.000 2.208 58 R HA -0.193 4.147 4.340 -0.000 0.000 0.262 58 R C 1.002 177.292 176.300 -0.016 0.000 1.166 58 R CA 1.733 57.823 56.100 -0.017 0.000 0.987 58 R CB -0.325 29.965 30.300 -0.016 0.000 0.887 58 R HN 0.520 nan 8.270 nan 0.000 0.459 59 E N 0.046 120.237 120.200 -0.015 0.000 2.445 59 E HA 0.062 4.412 4.350 -0.000 0.000 0.189 59 E C 0.179 176.770 176.600 -0.015 0.000 1.069 59 E CA 0.180 56.571 56.400 -0.016 0.000 0.871 59 E CB 0.177 29.867 29.700 -0.016 0.000 0.991 59 E HN 0.226 nan 8.360 nan 0.000 0.481 60 I N 1.039 121.601 120.570 -0.013 0.000 2.437 60 I HA 0.309 4.479 4.170 -0.000 0.000 0.298 60 I C 0.190 176.301 176.117 -0.011 0.000 0.984 60 I CA -0.337 60.956 61.300 -0.011 0.000 1.214 60 I CB 1.424 39.419 38.000 -0.009 0.000 1.365 60 I HN -0.021 nan 8.210 nan 0.000 0.469 61 E N 6.278 126.472 120.200 -0.010 0.000 3.397 61 E HA 0.254 4.604 4.350 -0.000 0.000 0.380 61 E C -1.916 174.678 176.600 -0.010 0.000 0.989 61 E CA -0.407 55.987 56.400 -0.009 0.000 0.783 61 E CB 1.031 30.724 29.700 -0.013 0.000 1.334 61 E HN 0.443 nan 8.360 nan 0.000 0.457 62 L N 2.723 123.943 121.223 -0.006 0.000 2.472 62 L HA 0.415 4.755 4.340 -0.000 0.000 0.256 62 L C 1.657 178.518 176.870 -0.016 0.000 1.111 62 L CA -0.466 54.370 54.840 -0.008 0.000 0.800 62 L CB 0.614 42.672 42.059 -0.000 0.000 1.286 62 L HN 0.733 nan 8.230 nan 0.000 0.479 63 E N 0.255 120.443 120.200 -0.020 0.000 2.022 63 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 63 E C 0.442 177.015 176.600 -0.045 0.000 0.973 63 E CA 0.097 56.478 56.400 -0.032 0.000 0.816 63 E CB 0.149 29.831 29.700 -0.031 0.000 0.781 63 E HN 0.686 nan 8.360 nan 0.000 0.456 64 D N 1.349 121.724 120.400 -0.042 0.000 2.433 64 D HA -0.105 4.535 4.640 -0.000 0.000 0.274 64 D C 0.659 176.914 176.300 -0.074 0.000 1.344 64 D CA 0.168 54.128 54.000 -0.067 0.000 0.989 64 D CB 0.578 41.361 40.800 -0.029 0.000 1.116 64 D HN 0.113 nan 8.370 nan 0.000 0.533 65 K N 3.395 123.702 120.400 -0.155 0.000 2.184 65 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 65 K C 1.678 178.278 176.600 0.000 0.000 1.048 65 K CA 1.336 57.536 56.287 -0.144 0.000 0.931 65 K CB -0.335 31.999 32.500 -0.277 0.000 0.718 65 K HN 0.464 nan 8.250 nan 0.000 0.465 66 F N 1.374 121.312 119.950 -0.021 0.000 2.074 66 F HA -0.016 4.511 4.527 -0.000 0.000 0.290 66 F C 2.468 178.259 175.800 -0.015 0.000 1.118 66 F CA 0.579 58.566 58.000 -0.020 0.000 1.199 66 F CB -1.159 37.826 39.000 -0.025 0.000 1.012 66 F HN 0.081 nan 8.300 nan 0.000 0.472 67 E N 0.285 120.600 120.200 0.193 0.000 2.108 67 E HA -0.358 3.992 4.350 -0.000 0.000 0.203 67 E C 1.873 178.516 176.600 0.071 0.000 1.022 67 E CA 1.889 58.348 56.400 0.098 0.000 0.823 67 E CB -0.688 29.047 29.700 0.059 0.000 0.744 67 E HN 0.422 nan 8.360 nan 0.000 0.456 68 N N 0.528 119.265 118.700 0.061 0.000 2.069 68 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 68 N C 1.917 177.456 175.510 0.048 0.000 1.031 68 N CA 1.533 54.606 53.050 0.039 0.000 0.852 68 N CB -0.055 38.445 38.487 0.021 0.000 1.018 68 N HN 0.085 nan 8.380 nan 0.000 0.423 69 M N -0.366 119.283 119.600 0.082 0.000 2.082 69 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 69 M C 2.203 178.530 176.300 0.045 0.000 1.069 69 M CA 1.918 57.263 55.300 0.076 0.000 1.102 69 M CB -0.849 31.827 32.600 0.126 0.000 1.336 69 M HN 0.423 nan 8.290 nan 0.000 0.404 70 G N -0.202 108.624 108.800 0.044 0.000 2.524 70 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 70 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 70 G C 1.536 176.446 174.900 0.017 0.000 1.239 70 G CA 1.056 46.170 45.100 0.022 0.000 0.798 70 G HN 0.566 nan 8.290 nan 0.000 0.557 71 A N -0.618 122.213 122.820 0.018 0.000 2.093 71 A HA -0.120 4.200 4.320 -0.000 0.000 0.222 71 A C 2.280 179.868 177.584 0.006 0.000 1.162 71 A CA 2.013 54.056 52.037 0.011 0.000 0.655 71 A CB -0.265 18.741 19.000 0.011 0.000 0.805 71 A HN 0.386 nan 8.150 nan 0.000 0.461 72 Q N -1.390 118.416 119.800 0.010 0.000 2.398 72 Q HA 0.127 4.467 4.340 -0.000 0.000 0.204 72 Q C 1.910 177.909 176.000 -0.002 0.000 0.932 72 Q CA 0.660 56.465 55.803 0.004 0.000 0.916 72 Q CB -0.016 28.727 28.738 0.009 0.000 1.024 72 Q HN 0.828 nan 8.270 nan 0.000 0.504 73 M N -0.777 118.823 119.600 0.001 0.000 2.142 73 M HA -0.086 4.394 4.480 -0.000 0.000 0.256 73 M C 2.221 178.514 176.300 -0.012 0.000 1.098 73 M CA 0.958 56.256 55.300 -0.004 0.000 1.151 73 M CB -0.750 31.850 32.600 0.001 0.000 1.299 73 M HN 0.040 nan 8.290 nan 0.000 0.431 74 V N 1.069 120.980 119.914 -0.005 0.000 2.439 74 V HA -0.330 3.790 4.120 -0.000 0.000 0.253 74 V C 2.188 178.272 176.094 -0.017 0.000 1.074 74 V CA 2.471 64.767 62.300 -0.006 0.000 1.076 74 V CB -0.697 31.127 31.823 0.002 0.000 0.664 74 V HN 0.546 nan 8.190 nan 0.000 0.461 75 K N -0.694 119.697 120.400 -0.016 0.000 2.057 75 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 75 K C 2.319 178.896 176.600 -0.038 0.000 1.049 75 K CA 1.770 58.044 56.287 -0.022 0.000 0.931 75 K CB -0.275 32.216 32.500 -0.016 0.000 0.714 75 K HN 0.566 nan 8.250 nan 0.000 0.440 76 E N 0.427 120.603 120.200 -0.040 0.000 2.208 76 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 76 E C 1.866 178.407 176.600 -0.099 0.000 0.988 76 E CA 0.575 56.941 56.400 -0.057 0.000 0.828 76 E CB 0.154 29.828 29.700 -0.042 0.000 0.763 76 E HN 0.180 nan 8.360 nan 0.000 0.478 77 V N 0.527 120.380 119.914 -0.102 0.000 2.379 77 V HA -0.104 4.016 4.120 -0.000 0.000 0.243 77 V C 2.295 178.245 176.094 -0.240 0.000 1.035 77 V CA 1.632 63.823 62.300 -0.182 0.000 1.035 77 V CB -0.302 31.461 31.823 -0.100 0.000 0.673 77 V HN 0.285 nan 8.190 nan 0.000 0.457 78 A N 0.572 123.324 122.820 -0.113 0.000 1.917 78 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 78 A C 2.523 180.044 177.584 -0.105 0.000 1.182 78 A CA 2.784 54.778 52.037 -0.072 0.000 0.633 78 A CB -1.195 17.789 19.000 -0.026 0.000 0.819 78 A HN 0.915 nan 8.150 nan 0.000 0.448 79 S N -0.194 115.441 115.700 -0.108 0.000 2.440 79 S HA -0.237 4.233 4.470 -0.000 0.000 0.240 79 S C 1.695 176.216 174.600 -0.132 0.000 1.014 79 S CA 1.738 59.882 58.200 -0.095 0.000 0.980 79 S CB -0.425 62.728 63.200 -0.079 0.000 0.775 79 S HN 0.664 nan 8.310 nan 0.000 0.499 80 K N 1.165 121.407 120.400 -0.264 0.000 2.116 80 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 80 K C 2.607 179.119 176.600 -0.147 0.000 1.052 80 K CA 0.875 56.950 56.287 -0.353 0.000 0.952 80 K CB -0.490 31.486 32.500 -0.873 0.000 0.729 80 K HN 0.476 nan 8.250 nan 0.000 0.446 81 A N 1.928 124.719 122.820 -0.049 0.000 1.883 81 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 81 A C 1.931 179.572 177.584 0.094 0.000 1.186 81 A CA 2.134 54.291 52.037 0.200 0.000 0.624 81 A CB -0.821 18.293 19.000 0.191 0.000 0.822 81 A HN 0.309 nan 8.150 nan 0.000 0.444 82 N N -0.031 118.683 118.700 0.024 0.000 2.104 82 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 82 N C 1.229 176.737 175.510 -0.004 0.000 1.024 82 N CA 1.682 54.729 53.050 -0.005 0.000 0.853 82 N CB -0.209 38.260 38.487 -0.030 0.000 1.008 82 N HN 0.433 nan 8.380 nan 0.000 0.424 83 D N -0.516 119.885 120.400 0.001 0.000 2.178 83 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 83 D C 1.566 177.896 176.300 0.050 0.000 0.980 83 D CA 1.168 55.173 54.000 0.010 0.000 0.842 83 D CB -0.170 40.623 40.800 -0.012 0.000 0.948 83 D HN 0.429 nan 8.370 nan 0.000 0.472 84 A N 0.918 123.789 122.820 0.085 0.000 1.864 84 A HA 0.308 4.628 4.320 -0.000 0.000 0.213 84 A C 2.140 179.780 177.584 0.094 0.000 1.266 84 A CA 1.372 53.470 52.037 0.102 0.000 0.612 84 A CB -0.769 18.320 19.000 0.148 0.000 0.940 84 A HN 0.199 nan 8.150 nan 0.000 0.463 85 A N -1.713 121.160 122.820 0.088 0.000 1.833 85 A HA 0.395 4.715 4.320 -0.000 0.000 0.215 85 A C 1.839 179.473 177.584 0.083 0.000 1.275 85 A CA 2.226 54.309 52.037 0.078 0.000 0.602 85 A CB -0.888 18.148 19.000 0.061 0.000 0.929 85 A HN 1.669 nan 8.150 nan 0.000 0.462 86 G N -2.296 106.516 108.800 0.021 0.000 4.362 86 G HA2 0.318 4.278 3.960 -0.000 0.000 0.220 86 G HA3 0.318 4.278 3.960 -0.000 0.000 0.220 86 G C -0.377 174.480 174.900 -0.070 0.000 0.795 86 G CA 0.741 45.796 45.100 -0.074 0.000 0.920 86 G HN 0.790 nan 8.290 nan 0.000 0.715 87 D N -2.808 117.581 120.400 -0.019 0.000 2.851 87 D HA 0.520 5.160 4.640 -0.000 0.000 0.339 87 D C 1.202 177.509 176.300 0.012 0.000 1.347 87 D CA 1.112 55.105 54.000 -0.012 0.000 0.888 87 D CB 0.295 41.091 40.800 -0.007 0.000 1.431 87 D HN 1.197 nan 8.370 nan 0.000 0.509 88 G N -1.001 107.807 108.800 0.013 0.000 2.308 88 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.221 88 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.221 88 G C 1.396 176.312 174.900 0.026 0.000 1.032 88 G CA 1.170 46.286 45.100 0.026 0.000 0.623 88 G HN 1.276 nan 8.290 nan 0.000 0.506 89 T N -0.688 113.876 114.554 0.018 0.000 2.653 89 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 89 T C 2.216 176.920 174.700 0.007 0.000 1.037 89 T CA 3.194 65.299 62.100 0.009 0.000 1.159 89 T CB -1.212 67.651 68.868 -0.009 0.000 0.859 89 T HN 0.685 nan 8.240 nan 0.000 0.449 90 T N 1.453 116.008 114.554 0.003 0.000 2.867 90 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 90 T C 2.236 176.939 174.700 0.007 0.000 1.057 90 T CA 1.780 63.881 62.100 0.002 0.000 1.136 90 T CB -0.813 68.054 68.868 -0.001 0.000 0.874 90 T HN 0.655 nan 8.240 nan 0.000 0.466 91 T N 2.081 116.642 114.554 0.012 0.000 2.770 91 T HA 0.092 4.442 4.350 -0.000 0.000 0.263 91 T C 2.498 177.212 174.700 0.022 0.000 1.039 91 T CA 0.922 63.031 62.100 0.015 0.000 1.142 91 T CB -0.686 68.192 68.868 0.018 0.000 0.868 91 T HN 0.405 nan 8.240 nan 0.000 0.435 92 A N 2.046 124.886 122.820 0.034 0.000 1.869 92 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 92 A C 2.569 180.172 177.584 0.031 0.000 1.203 92 A CA 2.575 54.641 52.037 0.047 0.000 0.638 92 A CB -1.677 17.363 19.000 0.066 0.000 0.831 92 A HN 0.477 nan 8.150 nan 0.000 0.450 93 T N -0.761 113.805 114.554 0.019 0.000 2.653 93 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 93 T C 1.827 176.533 174.700 0.010 0.000 1.035 93 T CA 1.867 63.973 62.100 0.011 0.000 1.154 93 T CB -0.723 68.147 68.868 0.003 0.000 0.862 93 T HN 0.419 nan 8.240 nan 0.000 0.441 94 V N 0.512 120.431 119.914 0.009 0.000 2.809 94 V HA 0.025 4.145 4.120 -0.000 0.000 0.256 94 V C 2.046 178.144 176.094 0.007 0.000 1.080 94 V CA 1.224 63.527 62.300 0.005 0.000 1.102 94 V CB -0.492 31.333 31.823 0.002 0.000 0.705 94 V HN 0.479 nan 8.190 nan 0.000 0.475 95 L N 0.042 121.273 121.223 0.013 0.000 2.023 95 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 95 L C 2.880 179.759 176.870 0.015 0.000 1.073 95 L CA 1.511 56.360 54.840 0.014 0.000 0.745 95 L CB -0.942 41.130 42.059 0.021 0.000 0.900 95 L HN 0.396 nan 8.230 nan 0.000 0.435 96 A N -0.435 122.397 122.820 0.020 0.000 1.869 96 A HA -0.366 3.954 4.320 -0.000 0.000 0.218 96 A C 2.215 179.807 177.584 0.013 0.000 1.203 96 A CA 2.321 54.370 52.037 0.020 0.000 0.638 96 A CB -0.983 18.030 19.000 0.022 0.000 0.831 96 A HN 0.518 nan 8.150 nan 0.000 0.450 97 Q N -0.768 119.038 119.800 0.010 0.000 2.118 97 Q HA -0.302 4.038 4.340 -0.000 0.000 0.211 97 Q C 2.292 178.295 176.000 0.005 0.000 0.998 97 Q CA 2.450 58.257 55.803 0.006 0.000 0.872 97 Q CB -0.424 28.316 28.738 0.004 0.000 0.925 97 Q HN 0.660 nan 8.270 nan 0.000 0.414 98 A N 0.547 123.370 122.820 0.005 0.000 1.883 98 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 98 A C 1.997 179.584 177.584 0.004 0.000 1.186 98 A CA 1.721 53.760 52.037 0.004 0.000 0.624 98 A CB -0.715 18.287 19.000 0.003 0.000 0.822 98 A HN 0.482 nan 8.150 nan 0.000 0.444 99 I N -0.291 120.283 120.570 0.007 0.000 2.133 99 I HA -0.240 3.930 4.170 -0.000 0.000 0.238 99 I C 2.324 178.444 176.117 0.006 0.000 1.074 99 I CA 1.442 62.746 61.300 0.007 0.000 1.342 99 I CB -0.554 37.452 38.000 0.010 0.000 1.053 99 I HN 0.266 nan 8.210 nan 0.000 0.404 100 I N 0.866 121.440 120.570 0.007 0.000 2.194 100 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 100 I C 2.585 178.704 176.117 0.004 0.000 1.093 100 I CA 1.820 63.123 61.300 0.005 0.000 1.355 100 I CB -0.951 37.053 38.000 0.006 0.000 1.046 100 I HN 0.321 nan 8.210 nan 0.000 0.413 101 T N -0.107 114.449 114.554 0.003 0.000 2.788 101 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 101 T C 1.787 176.488 174.700 0.002 0.000 1.044 101 T CA 1.207 63.308 62.100 0.003 0.000 1.139 101 T CB -0.134 68.735 68.868 0.002 0.000 0.867 101 T HN 0.302 nan 8.240 nan 0.000 0.454 102 E N 0.337 120.538 120.200 0.002 0.000 2.318 102 E HA 0.142 4.492 4.350 -0.000 0.000 0.193 102 E C 2.401 179.002 176.600 0.002 0.000 0.998 102 E CA 0.417 56.818 56.400 0.002 0.000 0.859 102 E CB -0.425 29.276 29.700 0.001 0.000 0.812 102 E HN 0.531 nan 8.360 nan 0.000 0.492 103 G N 1.678 110.480 108.800 0.002 0.000 2.464 103 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.214 103 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.214 103 G C 1.625 176.526 174.900 0.001 0.000 1.218 103 G CA 0.418 45.520 45.100 0.002 0.000 0.794 103 G HN 0.184 nan 8.290 nan 0.000 0.542 104 L N 0.324 121.548 121.223 0.001 0.000 2.261 104 L HA -0.060 4.280 4.340 -0.000 0.000 0.216 104 L C 2.723 179.594 176.870 0.001 0.000 1.114 104 L CA 1.215 56.055 54.840 0.000 0.000 0.777 104 L CB -0.351 41.707 42.059 -0.000 0.000 0.910 104 L HN 0.246 nan 8.230 nan 0.000 0.440 105 K N 0.257 120.658 120.400 0.001 0.000 2.288 105 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 105 K C 2.068 178.669 176.600 0.001 0.000 1.048 105 K CA 0.929 57.217 56.287 0.001 0.000 0.956 105 K CB 0.115 32.615 32.500 0.001 0.000 0.746 105 K HN 0.300 nan 8.250 nan 0.000 0.461 106 A N 0.143 122.963 122.820 0.001 0.000 1.862 106 A HA -0.012 4.308 4.320 -0.000 0.000 0.211 106 A C 2.088 179.672 177.584 0.000 0.000 1.220 106 A CA 0.725 52.762 52.037 0.000 0.000 0.616 106 A CB -0.609 18.391 19.000 0.000 0.000 0.878 106 A HN 0.063 nan 8.150 nan 0.000 0.453 107 V N 0.513 120.427 119.914 -0.000 0.000 2.233 107 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 107 V C 2.952 179.046 176.094 -0.000 0.000 1.063 107 V CA 2.375 64.675 62.300 -0.001 0.000 1.032 107 V CB -1.294 30.528 31.823 -0.001 0.000 0.645 107 V HN 0.605 nan 8.190 nan 0.000 0.446 108 A N -0.694 122.126 122.820 0.001 0.000 2.225 108 A HA 0.127 4.447 4.320 -0.000 0.000 0.215 108 A C 2.123 179.708 177.584 0.002 0.000 1.164 108 A CA 1.522 53.560 52.037 0.002 0.000 0.710 108 A CB -0.523 18.479 19.000 0.003 0.000 0.780 108 A HN 0.652 nan 8.150 nan 0.000 0.473 109 A N -2.090 120.731 122.820 0.001 0.000 2.178 109 A HA 0.446 4.766 4.320 -0.000 0.000 0.211 109 A C 1.617 179.201 177.584 0.000 0.000 1.157 109 A CA 1.197 53.235 52.037 0.001 0.000 0.780 109 A CB -0.326 18.675 19.000 0.001 0.000 0.828 109 A HN 1.660 nan 8.150 nan 0.000 0.476 110 G N -2.012 106.788 108.800 -0.000 0.000 2.227 110 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.168 110 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.168 110 G C 0.080 174.979 174.900 -0.002 0.000 1.006 110 G CA 0.024 45.123 45.100 -0.001 0.000 0.684 110 G HN 0.279 nan 8.290 nan 0.000 0.489 111 M N 0.783 120.382 119.600 -0.002 0.000 2.368 111 M HA 0.373 4.853 4.480 -0.000 0.000 0.311 111 M C 0.513 176.811 176.300 -0.003 0.000 1.168 111 M CA -0.787 54.511 55.300 -0.002 0.000 1.044 111 M CB 0.811 33.410 32.600 -0.002 0.000 1.506 111 M HN 0.143 nan 8.290 nan 0.000 0.475 112 N N 1.643 120.340 118.700 -0.004 0.000 2.470 112 N HA 0.126 4.866 4.740 -0.000 0.000 0.268 112 N C -2.278 173.230 175.510 -0.004 0.000 1.136 112 N CA -1.269 51.778 53.050 -0.005 0.000 0.961 112 N CB 1.341 39.825 38.487 -0.005 0.000 1.067 112 N HN 0.249 nan 8.380 nan 0.000 0.468 113 P HA -0.053 nan 4.420 nan 0.000 0.213 113 P C 1.753 179.051 177.300 -0.003 0.000 1.170 113 P CA 1.174 64.271 63.100 -0.004 0.000 0.893 113 P CB 0.179 31.876 31.700 -0.005 0.000 0.784 114 M N -0.531 119.067 119.600 -0.005 0.000 2.260 114 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 114 M C 1.194 177.492 176.300 -0.003 0.000 1.066 114 M CA 1.665 56.963 55.300 -0.004 0.000 1.082 114 M CB -1.504 31.092 32.600 -0.006 0.000 1.388 114 M HN 0.007 nan 8.290 nan 0.000 0.419 115 D N -0.111 120.287 120.400 -0.003 0.000 2.149 115 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 115 D C 2.239 178.539 176.300 -0.001 0.000 0.967 115 D CA 0.718 54.717 54.000 -0.002 0.000 0.848 115 D CB -0.193 40.606 40.800 -0.003 0.000 0.998 115 D HN 0.302 nan 8.370 nan 0.000 0.474 116 L N 1.021 122.243 121.223 -0.001 0.000 2.137 116 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 116 L C 2.468 179.339 176.870 0.001 0.000 1.085 116 L CA 1.229 56.069 54.840 -0.000 0.000 0.760 116 L CB -0.367 41.692 42.059 -0.000 0.000 0.893 116 L HN 0.042 nan 8.230 nan 0.000 0.434 117 K N 0.284 120.684 120.400 0.001 0.000 2.097 117 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 117 K C 2.304 178.904 176.600 0.002 0.000 1.050 117 K CA 1.112 57.400 56.287 0.002 0.000 0.938 117 K CB 0.066 32.567 32.500 0.002 0.000 0.718 117 K HN 0.119 nan 8.250 nan 0.000 0.442 118 R N -0.184 120.316 120.500 0.000 0.000 2.057 118 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 118 R C 2.379 178.678 176.300 -0.001 0.000 1.136 118 R CA 1.622 57.722 56.100 -0.000 0.000 0.952 118 R CB -0.699 29.601 30.300 -0.001 0.000 0.848 118 R HN 0.384 nan 8.270 nan 0.000 0.430 119 G N 1.172 109.972 108.800 -0.001 0.000 2.547 119 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.221 119 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.221 119 G C 1.441 176.340 174.900 -0.000 0.000 1.140 119 G CA 1.310 46.410 45.100 -0.000 0.000 0.760 119 G HN 0.301 nan 8.290 nan 0.000 0.583 120 I N 0.626 121.196 120.570 0.001 0.000 2.179 120 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 120 I C 2.236 178.353 176.117 -0.000 0.000 1.088 120 I CA 1.310 62.611 61.300 0.001 0.000 1.357 120 I CB -0.188 37.814 38.000 0.003 0.000 1.051 120 I HN 0.090 nan 8.210 nan 0.000 0.409 121 D N 0.548 120.948 120.400 -0.000 0.000 2.264 121 D HA -0.182 4.458 4.640 -0.000 0.000 0.208 121 D C 2.003 178.300 176.300 -0.005 0.000 0.966 121 D CA 0.989 54.987 54.000 -0.003 0.000 0.864 121 D CB 0.001 40.800 40.800 -0.002 0.000 0.933 121 D HN 0.344 nan 8.370 nan 0.000 0.499 122 K N 0.865 121.263 120.400 -0.003 0.000 2.005 122 K HA -0.025 4.294 4.320 -0.000 0.000 0.206 122 K C 2.137 178.735 176.600 -0.004 0.000 1.044 122 K CA 0.954 57.238 56.287 -0.004 0.000 0.942 122 K CB -0.041 32.457 32.500 -0.003 0.000 0.727 122 K HN -0.072 nan 8.250 nan 0.000 0.439 123 A N 0.857 123.676 122.820 -0.003 0.000 2.009 123 A HA -0.184 4.136 4.320 -0.000 0.000 0.222 123 A C 2.197 179.778 177.584 -0.004 0.000 1.175 123 A CA 1.997 54.033 52.037 -0.002 0.000 0.651 123 A CB -0.763 18.237 19.000 -0.001 0.000 0.815 123 A HN 0.224 nan 8.150 nan 0.000 0.459 124 V N -0.828 119.082 119.914 -0.006 0.000 2.256 124 V HA -0.182 3.938 4.120 -0.000 0.000 0.240 124 V C 2.662 178.748 176.094 -0.013 0.000 1.036 124 V CA 2.328 64.622 62.300 -0.010 0.000 1.008 124 V CB -1.263 30.552 31.823 -0.013 0.000 0.648 124 V HN 0.604 nan 8.190 nan 0.000 0.453 125 T N 0.652 115.198 114.554 -0.014 0.000 2.792 125 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 125 T C 1.824 176.517 174.700 -0.011 0.000 1.059 125 T CA 1.700 63.791 62.100 -0.015 0.000 1.136 125 T CB -0.412 68.448 68.868 -0.012 0.000 0.846 125 T HN 0.570 nan 8.240 nan 0.000 0.489 126 A N 1.366 124.181 122.820 -0.008 0.000 1.843 126 A HA 0.440 4.760 4.320 -0.000 0.000 0.213 126 A C 2.701 180.282 177.584 -0.005 0.000 1.202 126 A CA 1.248 53.282 52.037 -0.005 0.000 0.607 126 A CB -1.225 17.774 19.000 -0.003 0.000 0.847 126 A HN 0.482 nan 8.150 nan 0.000 0.445 127 A N -0.338 122.479 122.820 -0.005 0.000 2.024 127 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 127 A C 2.095 179.675 177.584 -0.006 0.000 1.164 127 A CA 1.799 53.834 52.037 -0.003 0.000 0.643 127 A CB -0.890 18.109 19.000 -0.002 0.000 0.806 127 A HN 0.430 nan 8.150 nan 0.000 0.451 128 V N -0.297 119.611 119.914 -0.012 0.000 2.490 128 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 128 V C 2.276 178.363 176.094 -0.011 0.000 1.061 128 V CA 2.245 64.536 62.300 -0.016 0.000 1.064 128 V CB -0.716 31.092 31.823 -0.025 0.000 0.670 128 V HN 0.660 nan 8.190 nan 0.000 0.461 129 E N -0.211 119.984 120.200 -0.008 0.000 2.075 129 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 129 E C 2.180 178.779 176.600 -0.001 0.000 0.969 129 E CA 0.616 57.013 56.400 -0.005 0.000 0.815 129 E CB -0.113 29.585 29.700 -0.004 0.000 0.776 129 E HN 0.433 nan 8.360 nan 0.000 0.457 130 E N 0.975 121.175 120.200 0.000 0.000 2.284 130 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 130 E C 1.712 178.315 176.600 0.005 0.000 1.008 130 E CA 0.578 56.980 56.400 0.004 0.000 0.829 130 E CB -0.044 29.659 29.700 0.004 0.000 0.744 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.218 121.442 121.223 0.003 0.000 2.162 131 L HA 0.019 4.358 4.340 -0.000 0.000 0.205 131 L C 1.682 178.554 176.870 0.004 0.000 1.086 131 L CA 1.318 56.161 54.840 0.004 0.000 0.778 131 L CB -0.019 42.040 42.059 0.000 0.000 0.928 131 L HN -0.077 nan 8.230 nan 0.000 0.446 132 K N -0.396 120.005 120.400 0.001 0.000 2.574 132 K HA -0.029 4.291 4.320 -0.000 0.000 0.193 132 K C 1.765 178.367 176.600 0.004 0.000 1.035 132 K CA 0.576 56.864 56.287 0.002 0.000 0.982 132 K CB -0.061 32.438 32.500 -0.001 0.000 0.795 132 K HN 0.445 nan 8.250 nan 0.000 0.491 133 A N 1.436 124.259 122.820 0.006 0.000 1.835 133 A HA -0.068 4.252 4.320 -0.000 0.000 0.213 133 A C 1.989 179.579 177.584 0.011 0.000 1.210 133 A CA 0.694 52.736 52.037 0.008 0.000 0.605 133 A CB -0.472 18.533 19.000 0.009 0.000 0.860 133 A HN 0.106 nan 8.150 nan 0.000 0.447 134 L N 0.433 121.664 121.223 0.013 0.000 2.081 134 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 134 L C 1.539 178.418 176.870 0.015 0.000 1.080 134 L CA 1.179 56.029 54.840 0.017 0.000 0.754 134 L CB -1.263 40.809 42.059 0.021 0.000 0.893 134 L HN 0.425 nan 8.230 nan 0.000 0.433 135 S N 0.406 116.113 115.700 0.012 0.000 3.074 135 S HA -0.013 4.457 4.470 -0.000 0.000 0.359 135 S C -0.128 174.479 174.600 0.011 0.000 1.207 135 S CA -0.268 57.939 58.200 0.011 0.000 1.061 135 S CB -0.109 63.096 63.200 0.008 0.000 0.769 135 S HN 0.075 nan 8.310 nan 0.000 0.512 136 V N 9.730 129.651 119.914 0.012 0.000 2.328 136 V HA 0.325 4.445 4.120 -0.000 0.000 0.278 136 V C -1.704 174.396 176.094 0.010 0.000 1.021 136 V CA -1.774 60.533 62.300 0.012 0.000 0.838 136 V CB 0.975 32.806 31.823 0.014 0.000 0.999 136 V HN 0.757 nan 8.190 nan 0.000 0.447 137 P HA -0.100 nan 4.420 nan 0.000 0.275 137 P C -0.184 177.121 177.300 0.007 0.000 1.227 137 P CA 0.148 63.253 63.100 0.007 0.000 0.808 137 P CB 0.310 32.013 31.700 0.006 0.000 0.858 138 C N 1.081 120.385 119.300 0.006 0.000 3.079 138 C HA 0.308 4.768 4.460 -0.000 0.000 0.246 138 C C 1.180 176.173 174.990 0.004 0.000 1.025 138 C CA 0.029 59.050 59.018 0.006 0.000 1.081 138 C CB -1.368 26.376 27.740 0.007 0.000 1.757 138 C HN 0.549 nan 8.230 nan 0.000 0.646 139 S N 0.630 116.332 115.700 0.003 0.000 2.545 139 S HA 0.088 4.558 4.470 -0.000 0.000 0.232 139 S C 0.361 174.962 174.600 0.001 0.000 1.070 139 S CA 0.186 58.387 58.200 0.002 0.000 0.923 139 S CB 0.040 63.241 63.200 0.002 0.000 0.806 139 S HN 0.922 nan 8.310 nan 0.000 0.506 140 D N 2.327 122.728 120.400 0.002 0.000 2.348 140 D HA 0.084 4.724 4.640 -0.000 0.000 0.253 140 D C 0.688 176.989 176.300 0.001 0.000 1.161 140 D CA 0.009 54.010 54.000 0.001 0.000 0.876 140 D CB 1.114 41.915 40.800 0.002 0.000 1.160 140 D HN 0.164 nan 8.370 nan 0.000 0.459 141 S N 1.659 117.359 115.700 0.000 0.000 2.559 141 S HA -0.247 4.223 4.470 -0.000 0.000 0.250 141 S C 1.356 175.956 174.600 0.001 0.000 0.977 141 S CA 0.734 58.934 58.200 -0.000 0.000 0.958 141 S CB -0.306 62.893 63.200 -0.001 0.000 0.751 141 S HN 0.662 nan 8.310 nan 0.000 0.534 142 K N 1.358 121.759 120.400 0.002 0.000 2.141 142 K HA 0.251 4.571 4.320 -0.000 0.000 0.202 142 K C 2.235 178.837 176.600 0.003 0.000 1.045 142 K CA 0.750 57.039 56.287 0.002 0.000 0.971 142 K CB -0.432 32.070 32.500 0.003 0.000 0.795 142 K HN 0.355 nan 8.250 nan 0.000 0.459 143 A N 1.324 124.146 122.820 0.004 0.000 2.014 143 A HA -0.002 4.317 4.320 -0.000 0.000 0.218 143 A C 1.976 179.564 177.584 0.005 0.000 1.163 143 A CA 0.736 52.776 52.037 0.005 0.000 0.652 143 A CB -0.422 18.581 19.000 0.006 0.000 0.808 143 A HN 0.322 nan 8.150 nan 0.000 0.449 144 I N -0.338 120.235 120.570 0.004 0.000 2.286 144 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 144 I C 2.962 179.081 176.117 0.004 0.000 1.115 144 I CA 0.972 62.274 61.300 0.004 0.000 1.392 144 I CB -0.277 37.723 38.000 0.001 0.000 1.065 144 I HN 0.387 nan 8.210 nan 0.000 0.418 145 A N 0.380 123.202 122.820 0.003 0.000 1.858 145 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 145 A C 2.204 179.791 177.584 0.005 0.000 1.190 145 A CA 1.653 53.693 52.037 0.004 0.000 0.617 145 A CB -0.741 18.261 19.000 0.003 0.000 0.827 145 A HN 0.465 nan 8.150 nan 0.000 0.443 146 Q N -0.520 119.283 119.800 0.005 0.000 2.152 146 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 146 Q C 2.131 178.136 176.000 0.008 0.000 0.985 146 Q CA 1.714 57.521 55.803 0.006 0.000 0.863 146 Q CB -0.491 28.251 28.738 0.007 0.000 0.904 146 Q HN 0.513 nan 8.270 nan 0.000 0.422 147 V N 0.338 120.258 119.914 0.009 0.000 2.229 147 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 147 V C 2.293 178.394 176.094 0.012 0.000 1.042 147 V CA 2.074 64.380 62.300 0.011 0.000 1.000 147 V CB -1.273 30.558 31.823 0.012 0.000 0.637 147 V HN 0.555 nan 8.190 nan 0.000 0.446 148 G N -0.738 108.068 108.800 0.011 0.000 2.507 148 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.221 148 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.221 148 G C 1.651 176.558 174.900 0.011 0.000 1.119 148 G CA 1.748 46.855 45.100 0.012 0.000 0.751 148 G HN 0.484 nan 8.290 nan 0.000 0.574 149 T N 0.999 115.558 114.554 0.009 0.000 2.821 149 T HA 0.012 4.362 4.350 -0.000 0.000 0.267 149 T C 2.301 177.005 174.700 0.007 0.000 1.046 149 T CA 0.841 62.945 62.100 0.007 0.000 1.139 149 T CB -0.095 68.777 68.868 0.005 0.000 0.871 149 T HN 0.321 nan 8.240 nan 0.000 0.454 150 I N 0.694 121.269 120.570 0.008 0.000 2.876 150 I HA -0.001 4.169 4.170 -0.000 0.000 0.264 150 I C 2.136 178.258 176.117 0.010 0.000 1.204 150 I CA 0.543 61.848 61.300 0.008 0.000 1.485 150 I CB -0.089 37.916 38.000 0.008 0.000 1.103 150 I HN 0.112 nan 8.210 nan 0.000 0.446 151 S N 0.820 116.528 115.700 0.013 0.000 2.527 151 S HA 0.147 4.617 4.470 -0.000 0.000 0.222 151 S C 1.671 176.280 174.600 0.015 0.000 0.985 151 S CA 0.727 58.937 58.200 0.016 0.000 0.921 151 S CB 0.145 63.359 63.200 0.024 0.000 0.772 151 S HN 0.479 nan 8.310 nan 0.000 0.529 152 A N 1.353 124.180 122.820 0.012 0.000 2.500 152 A HA 0.446 4.766 4.320 -0.000 0.000 0.267 152 A C 0.558 178.146 177.584 0.007 0.000 1.290 152 A CA -0.376 51.667 52.037 0.010 0.000 0.928 152 A CB -0.420 18.586 19.000 0.010 0.000 1.066 152 A HN 0.366 nan 8.150 nan 0.000 0.516 153 N N -0.230 118.474 118.700 0.006 0.000 2.746 153 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 153 N C 0.220 175.732 175.510 0.002 0.000 1.055 153 N CA 1.047 54.099 53.050 0.003 0.000 0.699 153 N CB -1.851 36.638 38.487 0.003 0.000 0.919 153 N HN 0.520 nan 8.380 nan 0.000 0.548 154 S N -1.587 114.114 115.700 0.003 0.000 3.382 154 S HA -0.234 4.236 4.470 -0.000 0.000 0.293 154 S C -0.346 174.256 174.600 0.002 0.000 1.262 154 S CA 0.839 59.040 58.200 0.002 0.000 0.969 154 S CB -1.040 62.160 63.200 0.000 0.000 1.136 154 S HN 0.771 nan 8.310 nan 0.000 0.635 155 D N 1.397 121.799 120.400 0.003 0.000 2.441 155 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 155 D C 1.128 177.431 176.300 0.003 0.000 1.156 155 D CA -0.244 53.758 54.000 0.003 0.000 0.896 155 D CB 0.493 41.295 40.800 0.004 0.000 1.028 155 D HN 0.479 nan 8.370 nan 0.000 0.509 156 E N 1.361 121.563 120.200 0.003 0.000 2.171 156 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 156 E C 1.524 178.125 176.600 0.003 0.000 0.997 156 E CA 1.268 57.669 56.400 0.003 0.000 0.810 156 E CB 0.151 29.852 29.700 0.002 0.000 0.738 156 E HN 0.499 nan 8.360 nan 0.000 0.467 157 T N 1.021 115.576 114.554 0.002 0.000 2.699 157 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 157 T C 2.102 176.803 174.700 0.002 0.000 1.036 157 T CA 1.447 63.548 62.100 0.002 0.000 1.147 157 T CB -0.314 68.555 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.503 121.420 119.914 0.004 0.000 2.216 158 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 158 V C 2.929 179.025 176.094 0.004 0.000 1.044 158 V CA 2.013 64.316 62.300 0.005 0.000 0.995 158 V CB -1.638 30.190 31.823 0.007 0.000 0.633 158 V HN 0.575 nan 8.190 nan 0.000 0.446 159 G N 0.013 108.815 108.800 0.005 0.000 2.663 159 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G C 1.631 176.533 174.900 0.002 0.000 1.146 159 G CA 1.808 46.911 45.100 0.004 0.000 0.764 159 G HN 0.544 nan 8.290 nan 0.000 0.608 160 K N 0.069 120.470 120.400 0.002 0.000 1.985 160 K HA 0.015 4.335 4.320 -0.000 0.000 0.210 160 K C 2.638 179.237 176.600 -0.001 0.000 1.047 160 K CA 1.211 57.498 56.287 0.000 0.000 0.932 160 K CB -0.388 32.112 32.500 0.000 0.000 0.716 160 K HN 0.349 nan 8.250 nan 0.000 0.439 161 L N 1.124 122.346 121.223 -0.001 0.000 2.034 161 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 161 L C 2.502 179.370 176.870 -0.004 0.000 1.077 161 L CA 1.644 56.483 54.840 -0.002 0.000 0.769 161 L CB -0.417 41.642 42.059 -0.001 0.000 0.890 161 L HN 0.334 nan 8.230 nan 0.000 0.435 162 I N -0.802 119.766 120.570 -0.003 0.000 2.090 162 I HA -0.331 3.839 4.170 -0.000 0.000 0.236 162 I C 2.811 178.924 176.117 -0.006 0.000 1.064 162 I CA 1.283 62.580 61.300 -0.005 0.000 1.324 162 I CB -0.665 37.333 38.000 -0.003 0.000 1.044 162 I HN 0.252 nan 8.210 nan 0.000 0.399 163 A N 0.616 123.433 122.820 -0.004 0.000 1.915 163 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 163 A C 2.182 179.763 177.584 -0.005 0.000 1.198 163 A CA 2.308 54.342 52.037 -0.004 0.000 0.647 163 A CB -0.896 18.103 19.000 -0.002 0.000 0.825 163 A HN 0.548 nan 8.150 nan 0.000 0.456 164 E N -0.637 119.560 120.200 -0.005 0.000 2.153 164 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 164 E C 2.309 178.905 176.600 -0.007 0.000 0.988 164 E CA 0.855 57.252 56.400 -0.005 0.000 0.811 164 E CB -0.275 29.423 29.700 -0.004 0.000 0.746 164 E HN 0.676 nan 8.360 nan 0.000 0.466 165 A N 1.266 124.081 122.820 -0.008 0.000 1.854 165 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 165 A C 2.176 179.753 177.584 -0.013 0.000 1.192 165 A CA 1.110 53.140 52.037 -0.011 0.000 0.611 165 A CB -0.399 18.592 19.000 -0.014 0.000 0.832 165 A HN 0.102 nan 8.150 nan 0.000 0.442 166 M N -0.827 118.765 119.600 -0.013 0.000 2.213 166 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 166 M C 1.377 177.671 176.300 -0.010 0.000 1.062 166 M CA 1.728 57.020 55.300 -0.013 0.000 1.105 166 M CB -0.581 32.011 32.600 -0.012 0.000 1.385 166 M HN 0.363 nan 8.290 nan 0.000 0.417 167 D N 0.296 120.691 120.400 -0.008 0.000 2.378 167 D HA -0.062 4.578 4.640 -0.000 0.000 0.227 167 D C 1.800 178.096 176.300 -0.007 0.000 1.012 167 D CA 0.751 54.747 54.000 -0.006 0.000 0.905 167 D CB 0.307 41.104 40.800 -0.005 0.000 0.895 167 D HN 0.039 nan 8.370 nan 0.000 0.532 168 K N -0.679 119.716 120.400 -0.008 0.000 2.399 168 K HA 0.114 4.434 4.320 -0.000 0.000 0.196 168 K C 0.897 177.491 176.600 -0.009 0.000 1.103 168 K CA 0.451 56.733 56.287 -0.008 0.000 0.986 168 K CB 1.501 33.996 32.500 -0.009 0.000 0.952 168 K HN 0.154 nan 8.250 nan 0.000 0.541 169 V N -2.971 116.937 119.914 -0.011 0.000 3.261 169 V HA 0.441 4.561 4.120 -0.000 0.000 0.330 169 V C 0.256 176.344 176.094 -0.012 0.000 1.461 169 V CA -0.193 62.100 62.300 -0.011 0.000 1.127 169 V CB 0.077 31.892 31.823 -0.014 0.000 1.044 169 V HN 0.220 nan 8.190 nan 0.000 0.499 170 G N 2.532 111.326 108.800 -0.010 0.000 2.750 170 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 170 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 170 G C 0.260 175.153 174.900 -0.012 0.000 1.395 170 G CA 0.004 45.098 45.100 -0.010 0.000 0.918 170 G HN 0.791 nan 8.290 nan 0.000 0.594 171 K N 0.380 120.774 120.400 -0.011 0.000 2.633 171 K HA -0.026 4.294 4.320 -0.000 0.000 0.193 171 K C 0.622 177.214 176.600 -0.014 0.000 1.033 171 K CA 1.374 57.654 56.287 -0.012 0.000 0.980 171 K CB 0.380 32.874 32.500 -0.009 0.000 0.800 171 K HN 0.522 nan 8.250 nan 0.000 0.493 172 E N 1.073 121.264 120.200 -0.014 0.000 2.624 172 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 172 E C 0.424 177.014 176.600 -0.017 0.000 0.997 172 E CA -0.098 56.294 56.400 -0.014 0.000 0.999 172 E CB 1.176 30.870 29.700 -0.009 0.000 1.040 172 E HN 0.413 nan 8.360 nan 0.000 0.469 173 G N 0.416 109.204 108.800 -0.020 0.000 2.568 173 G HA2 0.437 4.397 3.960 -0.000 0.000 0.293 173 G HA3 0.437 4.397 3.960 -0.000 0.000 0.293 173 G C -0.047 174.834 174.900 -0.031 0.000 1.347 173 G CA -0.426 44.661 45.100 -0.022 0.000 1.039 173 G HN -0.036 nan 8.290 nan 0.000 0.523 174 V N -0.003 119.892 119.914 -0.031 0.000 2.567 174 V HA 0.583 4.703 4.120 -0.000 0.000 0.289 174 V C -0.102 175.966 176.094 -0.043 0.000 1.049 174 V CA -0.366 61.910 62.300 -0.041 0.000 0.969 174 V CB 0.959 32.760 31.823 -0.037 0.000 0.995 174 V HN 0.488 nan 8.190 nan 0.000 0.471 175 I N 2.959 123.496 120.570 -0.055 0.000 2.571 175 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 175 I C -0.415 175.669 176.117 -0.053 0.000 1.115 175 I CA -0.152 61.119 61.300 -0.050 0.000 1.045 175 I CB 2.486 40.455 38.000 -0.052 0.000 1.238 175 I HN 0.617 nan 8.210 nan 0.000 0.424 176 T N 4.560 119.091 114.554 -0.039 0.000 2.907 176 T HA 0.607 4.957 4.350 -0.000 0.000 0.292 176 T C -0.498 174.189 174.700 -0.021 0.000 1.043 176 T CA -0.725 61.355 62.100 -0.033 0.000 1.003 176 T CB 2.499 71.349 68.868 -0.032 0.000 1.084 176 T HN 0.386 nan 8.240 nan 0.000 0.483 177 V N 0.054 119.960 119.914 -0.013 0.000 2.378 177 V HA 0.644 4.764 4.120 -0.000 0.000 0.288 177 V C -0.210 175.882 176.094 -0.003 0.000 1.016 177 V CA -0.822 61.475 62.300 -0.005 0.000 0.840 177 V CB 1.023 32.848 31.823 0.003 0.000 0.994 177 V HN 0.865 nan 8.190 nan 0.000 0.431 178 E N 2.539 122.736 120.200 -0.004 0.000 2.803 178 E HA 0.429 4.779 4.350 -0.000 0.000 0.250 178 E C -0.941 175.659 176.600 -0.000 0.000 1.102 178 E CA -0.944 55.454 56.400 -0.003 0.000 1.017 178 E CB 0.855 30.551 29.700 -0.006 0.000 1.346 178 E HN 0.764 nan 8.360 nan 0.000 0.532 179 D N -0.099 120.301 120.400 -0.000 0.000 2.277 179 D HA 0.279 4.919 4.640 -0.000 0.000 0.250 179 D C -0.126 176.174 176.300 -0.000 0.000 1.032 179 D CA -0.212 53.789 54.000 0.001 0.000 0.947 179 D CB 1.466 42.267 40.800 0.002 0.000 1.159 179 D HN 0.441 nan 8.370 nan 0.000 0.460 180 G N -0.912 107.888 108.800 0.001 0.000 2.539 180 G HA2 0.285 4.245 3.960 -0.000 0.000 0.258 180 G HA3 0.285 4.245 3.960 -0.000 0.000 0.258 180 G C 0.836 175.735 174.900 -0.001 0.000 1.202 180 G CA -0.311 44.789 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.782 111.771 114.554 -0.001 0.000 3.069 181 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 181 T C 0.978 175.677 174.700 -0.001 0.000 1.053 181 T CA 0.521 62.620 62.100 -0.002 0.000 0.964 181 T CB 0.335 69.201 68.868 -0.003 0.000 1.005 181 T HN 2.011 nan 8.240 nan 0.000 0.532 182 G N 2.005 110.805 108.800 -0.000 0.000 2.314 182 G HA2 0.303 4.263 3.960 -0.000 0.000 0.286 182 G HA3 0.303 4.263 3.960 -0.000 0.000 0.286 182 G C -0.570 174.330 174.900 -0.000 0.000 1.270 182 G CA -0.616 44.484 45.100 -0.000 0.000 1.277 182 G HN 0.630 nan 8.290 nan 0.000 0.635 183 L N -0.031 121.192 121.223 0.000 0.000 0.611 183 L HA -0.183 4.157 4.340 -0.000 0.000 0.356 183 L C 0.468 177.338 176.870 -0.000 0.000 1.007 183 L CA 2.314 57.154 54.840 0.000 0.000 1.222 183 L CB -0.319 41.740 42.059 0.000 0.000 0.016 183 L HN 1.799 nan 8.230 nan 0.000 0.101 184 Q N 1.550 121.350 119.800 -0.000 0.000 2.667 184 Q HA -0.123 4.217 4.340 -0.000 0.000 0.210 184 Q C -0.610 175.389 176.000 -0.001 0.000 1.417 184 Q CA 1.018 56.820 55.803 -0.001 0.000 0.607 184 Q CB -0.586 28.151 28.738 -0.001 0.000 0.739 184 Q HN 0.596 nan 8.270 nan 0.000 0.315 185 D N 3.335 123.734 120.400 -0.001 0.000 2.455 185 D HA 0.035 4.675 4.640 -0.000 0.000 0.241 185 D C 0.308 176.607 176.300 -0.002 0.000 1.138 185 D CA 0.770 54.770 54.000 -0.001 0.000 0.877 185 D CB 0.713 41.512 40.800 -0.001 0.000 1.187 185 D HN 0.307 nan 8.370 nan 0.000 0.451 186 E N 0.314 120.512 120.200 -0.003 0.000 2.221 186 E HA 0.594 4.944 4.350 -0.000 0.000 0.268 186 E C -0.898 175.700 176.600 -0.005 0.000 0.933 186 E CA -0.991 55.407 56.400 -0.004 0.000 0.809 186 E CB 2.271 31.969 29.700 -0.004 0.000 1.190 186 E HN 0.125 nan 8.360 nan 0.000 0.406 187 L N 2.831 124.051 121.223 -0.005 0.000 2.543 187 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 187 L C -2.183 174.683 176.870 -0.007 0.000 0.945 187 L CA -0.260 54.576 54.840 -0.006 0.000 0.869 187 L CB 1.754 43.809 42.059 -0.006 0.000 1.294 187 L HN 0.602 nan 8.230 nan 0.000 0.405 188 D N 3.512 123.907 120.400 -0.008 0.000 2.622 188 D HA 0.438 5.078 4.640 -0.000 0.000 0.255 188 D C -1.333 174.961 176.300 -0.009 0.000 1.246 188 D CA -0.425 53.571 54.000 -0.008 0.000 0.795 188 D CB 2.088 42.884 40.800 -0.007 0.000 1.369 188 D HN 0.301 nan 8.370 nan 0.000 0.425 189 V N 0.277 120.186 119.914 -0.008 0.000 2.427 189 V HA 0.580 4.700 4.120 -0.000 0.000 0.286 189 V C 0.364 176.453 176.094 -0.008 0.000 1.034 189 V CA -0.647 61.647 62.300 -0.009 0.000 0.893 189 V CB 1.225 33.043 31.823 -0.008 0.000 0.982 189 V HN 0.601 nan 8.190 nan 0.000 0.452 190 V N 1.272 121.180 119.914 -0.009 0.000 2.962 190 V HA 0.650 4.770 4.120 -0.000 0.000 0.313 190 V C -0.322 175.768 176.094 -0.007 0.000 1.099 190 V CA -1.022 61.273 62.300 -0.008 0.000 0.971 190 V CB 2.179 33.996 31.823 -0.010 0.000 1.028 190 V HN 0.707 nan 8.190 nan 0.000 0.430 191 E N 2.461 122.658 120.200 -0.004 0.000 2.341 191 E HA 0.464 4.813 4.350 -0.000 0.000 0.256 191 E C 0.355 176.955 176.600 0.001 0.000 1.125 191 E CA 0.841 57.241 56.400 -0.001 0.000 0.939 191 E CB 0.745 30.446 29.700 0.001 0.000 0.991 191 E HN 1.098 nan 8.360 nan 0.000 0.458 192 G N 1.674 110.475 108.800 0.002 0.000 2.870 192 G HA2 0.752 4.712 3.960 -0.000 0.000 0.299 192 G HA3 0.752 4.712 3.960 -0.000 0.000 0.299 192 G C -0.918 173.991 174.900 0.015 0.000 1.324 192 G CA -0.555 44.548 45.100 0.005 0.000 0.808 192 G HN 0.414 nan 8.290 nan 0.000 0.535 193 M N -0.892 118.718 119.600 0.016 0.000 2.895 193 M HA 0.524 5.004 4.480 -0.000 0.000 0.271 193 M C -2.462 173.839 176.300 0.002 0.000 1.174 193 M CA -0.625 54.699 55.300 0.039 0.000 0.816 193 M CB 2.377 35.037 32.600 0.099 0.000 1.647 193 M HN 0.637 nan 8.290 nan 0.000 0.506 194 Q N 2.717 122.528 119.800 0.019 0.000 2.280 194 Q HA 0.540 4.880 4.340 -0.000 0.000 0.259 194 Q C -2.260 173.743 176.000 0.005 0.000 0.964 194 Q CA -0.514 55.228 55.803 -0.101 0.000 0.844 194 Q CB 1.868 30.545 28.738 -0.100 0.000 1.334 194 Q HN 0.586 nan 8.270 nan 0.000 0.423 195 F N -0.027 119.915 119.950 -0.013 0.000 2.579 195 F HA 0.548 5.075 4.527 -0.000 0.000 0.324 195 F C 0.112 175.905 175.800 -0.011 0.000 1.058 195 F CA -1.137 56.858 58.000 -0.009 0.000 0.944 195 F CB 0.972 39.970 39.000 -0.004 0.000 1.245 195 F HN 0.285 nan 8.300 nan 0.000 0.477 196 D N 2.436 122.968 120.400 0.219 0.000 2.982 196 D HA 0.091 4.731 4.640 -0.000 0.000 0.238 196 D C -0.175 176.207 176.300 0.136 0.000 1.168 196 D CA 0.351 54.420 54.000 0.114 0.000 0.947 196 D CB -0.057 40.796 40.800 0.089 0.000 1.147 196 D HN 0.242 nan 8.370 nan 0.000 0.450 197 R N -0.033 120.571 120.500 0.173 0.000 2.621 197 R HA 0.592 4.932 4.340 -0.000 0.000 0.292 197 R C 0.362 176.670 176.300 0.014 0.000 0.969 197 R CA -0.718 55.477 56.100 0.158 0.000 0.887 197 R CB 2.183 32.697 30.300 0.357 0.000 1.180 197 R HN 0.103 nan 8.270 nan 0.000 0.450 198 G N 0.872 109.648 108.800 -0.041 0.000 2.667 198 G HA2 0.454 4.414 3.960 -0.000 0.000 0.310 198 G HA3 0.454 4.414 3.960 -0.000 0.000 0.310 198 G C -0.754 174.102 174.900 -0.074 0.000 1.259 198 G CA -0.565 44.423 45.100 -0.186 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.825 119.498 120.300 0.038 0.000 2.652 199 Y HA 0.273 4.823 4.550 -0.000 0.000 0.344 199 Y C 1.348 177.313 175.900 0.108 0.000 1.254 199 Y CA -1.031 57.103 58.100 0.057 0.000 1.480 199 Y CB 0.188 38.720 38.460 0.121 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.267 122.736 121.223 0.410 0.000 2.240 200 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 200 L C 0.524 177.605 176.870 0.352 0.000 1.106 200 L CA 1.176 56.219 54.840 0.340 0.000 0.793 200 L CB -0.455 41.773 42.059 0.281 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.099 112.836 115.700 0.391 0.000 2.547 201 S HA 0.489 4.959 4.470 -0.000 0.000 0.270 201 S C -2.757 171.695 174.600 -0.247 0.000 1.150 201 S CA -1.205 57.043 58.200 0.080 0.000 0.850 201 S CB 2.063 65.289 63.200 0.044 0.000 1.118 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.218 nan 4.420 nan 0.000 0.317 202 P C 0.248 177.230 177.300 -0.530 0.000 1.427 202 P CA 0.540 63.159 63.100 -0.803 0.000 0.820 202 P CB -0.154 31.073 31.700 -0.787 0.000 1.894 203 Y N -4.565 115.558 120.300 -0.295 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.961 177.734 175.900 -0.211 0.000 1.055 203 Y CA 1.481 59.420 58.100 -0.269 0.000 2.997 203 Y CB -3.174 35.072 38.460 -0.357 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.483 120.444 119.950 0.018 0.000 2.236 204 F HA -0.126 4.401 4.527 -0.000 0.000 0.302 204 F C 1.502 177.303 175.800 0.001 0.000 1.073 204 F CA 0.984 58.993 58.000 0.014 0.000 1.336 204 F CB -0.760 38.244 39.000 0.006 0.000 1.040 204 F HN -0.008 nan 8.300 nan 0.000 0.507 205 I N 2.490 123.129 120.570 0.115 0.000 2.943 205 I HA -0.223 3.947 4.170 -0.000 0.000 0.296 205 I C 0.759 176.921 176.117 0.075 0.000 1.220 205 I CA 0.529 61.869 61.300 0.067 0.000 1.409 205 I CB -0.121 37.867 38.000 -0.019 0.000 1.374 205 I HN 0.237 nan 8.210 nan 0.000 0.545 206 N N 4.841 123.590 118.700 0.080 0.000 2.184 206 N HA 0.069 4.809 4.740 -0.000 0.000 0.206 206 N C -0.017 175.523 175.510 0.050 0.000 1.151 206 N CA -0.130 52.959 53.050 0.065 0.000 0.878 206 N CB 0.477 39.005 38.487 0.068 0.000 1.014 206 N HN 0.484 nan 8.380 nan 0.000 0.512 207 K N 1.149 121.579 120.400 0.050 0.000 2.842 207 K HA 0.246 4.566 4.320 -0.000 0.000 0.176 207 K C -2.149 174.474 176.600 0.039 0.000 1.080 207 K CA -1.560 54.752 56.287 0.041 0.000 0.954 207 K CB 1.875 34.400 32.500 0.041 0.000 1.203 207 K HN 0.001 nan 8.250 nan 0.000 0.611 208 P HA -0.174 nan 4.420 nan 0.000 0.231 208 P C 0.206 177.519 177.300 0.021 0.000 1.154 208 P CA 1.095 64.209 63.100 0.024 0.000 0.762 208 P CB 0.504 32.215 31.700 0.018 0.000 0.790 209 E N -0.154 120.059 120.200 0.023 0.000 2.021 209 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 209 E C 2.062 178.673 176.600 0.018 0.000 0.980 209 E CA 1.690 58.100 56.400 0.017 0.000 0.803 209 E CB -0.917 28.794 29.700 0.017 0.000 0.766 209 E HN 0.198 nan 8.360 nan 0.000 0.449 210 T N -1.282 113.288 114.554 0.027 0.000 2.942 210 T HA 0.113 4.463 4.350 -0.000 0.000 0.265 210 T C 1.355 176.080 174.700 0.042 0.000 1.062 210 T CA 0.904 63.023 62.100 0.031 0.000 1.139 210 T CB 0.018 68.911 68.868 0.042 0.000 0.883 210 T HN 0.419 nan 8.240 nan 0.000 0.468 211 G N 1.079 109.912 108.800 0.055 0.000 2.130 211 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 211 G C 0.036 175.024 174.900 0.147 0.000 0.999 211 G CA -0.055 45.093 45.100 0.080 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.536 121.361 122.820 0.127 0.000 2.486 212 A HA 0.990 5.310 4.320 -0.000 0.000 0.277 212 A C -0.276 177.390 177.584 0.136 0.000 1.282 212 A CA -0.139 51.999 52.037 0.169 0.000 0.784 212 A CB 1.635 20.702 19.000 0.111 0.000 1.350 212 A HN 1.248 nan 8.150 nan 0.000 0.454 213 V N 0.221 120.219 119.914 0.140 0.000 2.769 213 V HA 0.666 4.786 4.120 -0.000 0.000 0.312 213 V C -0.316 175.816 176.094 0.063 0.000 1.058 213 V CA -0.427 61.938 62.300 0.108 0.000 0.952 213 V CB 1.636 33.536 31.823 0.128 0.000 1.019 213 V HN 0.909 nan 8.190 nan 0.000 0.445 214 E N 2.790 123.020 120.200 0.050 0.000 2.274 214 E HA 0.612 4.962 4.350 -0.000 0.000 0.269 214 E C -2.015 174.600 176.600 0.024 0.000 0.891 214 E CA -0.538 55.879 56.400 0.028 0.000 0.784 214 E CB 1.680 31.395 29.700 0.025 0.000 1.225 214 E HN 0.624 nan 8.360 nan 0.000 0.412 215 L N 3.456 124.685 121.223 0.010 0.000 2.381 215 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 215 L C -0.425 176.439 176.870 -0.011 0.000 0.988 215 L CA -0.867 53.977 54.840 0.006 0.000 0.824 215 L CB 1.983 44.047 42.059 0.008 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.562 121.753 120.200 -0.015 0.000 2.156 216 E HA 0.297 4.647 4.350 -0.000 0.000 0.279 216 E C -0.150 176.415 176.600 -0.059 0.000 0.965 216 E CA -0.520 55.861 56.400 -0.031 0.000 0.789 216 E CB 1.534 31.221 29.700 -0.021 0.000 1.098 216 E HN 0.636 nan 8.360 nan 0.000 0.397 217 S N 1.739 117.390 115.700 -0.082 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.037 172.432 174.600 -0.218 0.000 1.023 217 S CA 0.399 58.515 58.200 -0.140 0.000 1.114 217 S CB -1.328 61.794 63.200 -0.131 0.000 0.907 217 S HN 0.518 nan 8.310 nan 0.000 0.470 218 P HA 0.555 nan 4.420 nan 0.000 0.279 218 P C -0.126 177.041 177.300 -0.222 0.000 1.276 218 P CA -0.608 62.403 63.100 -0.148 0.000 0.801 218 P CB 0.540 32.221 31.700 -0.031 0.000 1.127 219 F N -0.537 119.420 119.950 0.011 0.000 2.432 219 F HA 0.475 5.002 4.527 -0.000 0.000 0.329 219 F C 0.738 176.546 175.800 0.012 0.000 1.076 219 F CA -0.449 57.558 58.000 0.012 0.000 1.018 219 F CB 0.894 39.901 39.000 0.012 0.000 1.201 219 F HN 0.043 nan 8.300 nan 0.000 0.489 220 I N 3.197 123.908 120.570 0.235 0.000 2.569 220 I HA 0.387 4.557 4.170 -0.000 0.000 0.296 220 I C -1.411 174.769 176.117 0.105 0.000 1.028 220 I CA -1.116 60.264 61.300 0.133 0.000 1.082 220 I CB 2.072 40.131 38.000 0.099 0.000 1.264 220 I HN 0.236 nan 8.210 nan 0.000 0.429 221 L N 6.923 128.188 121.223 0.070 0.000 2.280 221 L HA 0.523 4.863 4.340 -0.000 0.000 0.287 221 L C -1.077 175.812 176.870 0.032 0.000 1.023 221 L CA -0.184 54.682 54.840 0.043 0.000 0.819 221 L CB 0.964 43.042 42.059 0.032 0.000 1.212 221 L HN 0.473 nan 8.230 nan 0.000 0.420 222 L N 6.157 127.394 121.223 0.024 0.000 2.301 222 L HA 0.797 5.137 4.340 -0.000 0.000 0.278 222 L C -0.279 176.593 176.870 0.003 0.000 1.022 222 L CA -0.426 54.420 54.840 0.010 0.000 0.854 222 L CB 1.173 43.237 42.059 0.009 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.846 124.666 122.820 0.001 0.000 2.381 223 A HA 0.446 4.766 4.320 -0.000 0.000 0.299 223 A C -1.077 176.506 177.584 -0.002 0.000 1.049 223 A CA -0.585 51.452 52.037 0.001 0.000 0.715 223 A CB 1.480 20.483 19.000 0.005 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.499 122.896 120.400 -0.004 0.000 2.422 224 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 224 D C -0.056 176.246 176.300 0.003 0.000 1.190 224 D CA 0.413 54.410 54.000 -0.004 0.000 0.905 224 D CB -0.283 40.512 40.800 -0.008 0.000 1.034 224 D HN 0.705 nan 8.370 nan 0.000 0.507 225 K N 0.730 121.135 120.400 0.008 0.000 3.663 225 K HA 0.126 4.446 4.320 -0.000 0.000 0.413 225 K C -1.409 175.202 176.600 0.018 0.000 1.089 225 K CA -1.130 55.164 56.287 0.013 0.000 0.860 225 K CB 0.234 32.741 32.500 0.011 0.000 1.492 225 K HN 0.025 nan 8.250 nan 0.000 0.517 226 K N 0.879 121.292 120.400 0.021 0.000 2.144 226 K HA 0.508 4.828 4.320 -0.000 0.000 0.270 226 K C -0.498 176.117 176.600 0.025 0.000 1.005 226 K CA -0.616 55.687 56.287 0.025 0.000 0.932 226 K CB 0.872 33.388 32.500 0.026 0.000 1.021 226 K HN 0.376 nan 8.250 nan 0.000 0.462 227 I N 1.697 122.285 120.570 0.031 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.167 176.306 176.117 0.035 0.000 1.023 227 I CA -0.105 61.214 61.300 0.031 0.000 1.100 227 I CB 1.900 39.920 38.000 0.034 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.835 118.552 115.700 0.030 0.000 2.807 228 S HA 0.173 4.643 4.470 -0.000 0.000 0.247 228 S C 0.719 175.335 174.600 0.027 0.000 1.078 228 S CA -0.125 58.093 58.200 0.030 0.000 0.867 228 S CB 0.287 63.502 63.200 0.026 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.896 121.609 118.700 0.022 0.000 2.399 229 N HA 0.187 4.927 4.740 -0.000 0.000 0.259 229 N C 0.676 176.198 175.510 0.020 0.000 1.160 229 N CA 0.022 53.083 53.050 0.018 0.000 0.946 229 N CB 0.864 39.359 38.487 0.014 0.000 1.156 229 N HN 0.333 nan 8.380 nan 0.000 0.489 230 I N 3.252 123.835 120.570 0.021 0.000 2.423 230 I HA -0.295 3.875 4.170 -0.000 0.000 0.254 230 I C 1.902 178.028 176.117 0.016 0.000 1.151 230 I CA 1.182 62.496 61.300 0.022 0.000 1.421 230 I CB 0.205 38.218 38.000 0.023 0.000 1.079 230 I HN 0.429 nan 8.210 nan 0.000 0.431 231 R N 0.826 121.334 120.500 0.013 0.000 2.119 231 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 231 R C 1.942 178.246 176.300 0.007 0.000 1.146 231 R CA 2.157 58.262 56.100 0.009 0.000 0.962 231 R CB -0.477 29.828 30.300 0.007 0.000 0.863 231 R HN 0.574 nan 8.270 nan 0.000 0.442 232 E N -0.182 120.023 120.200 0.009 0.000 2.265 232 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 232 E C 1.909 178.512 176.600 0.005 0.000 0.996 232 E CA 0.847 57.251 56.400 0.007 0.000 0.832 232 E CB 0.028 29.733 29.700 0.009 0.000 0.756 232 E HN 0.272 nan 8.360 nan 0.000 0.491 233 M N 0.201 119.806 119.600 0.009 0.000 2.115 233 M HA -0.049 4.431 4.480 -0.000 0.000 0.261 233 M C 2.401 178.702 176.300 0.001 0.000 1.079 233 M CA 1.081 56.386 55.300 0.008 0.000 1.143 233 M CB -1.022 31.589 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.621 121.846 121.223 0.003 0.000 2.143 234 L HA -0.282 4.058 4.340 -0.000 0.000 0.231 234 L C -0.435 176.429 176.870 -0.009 0.000 1.106 234 L CA 2.060 56.899 54.840 -0.001 0.000 0.827 234 L CB -2.854 39.205 42.059 0.000 0.000 0.915 234 L HN 0.219 nan 8.230 nan 0.000 0.448 235 P HA -0.109 nan 4.420 nan 0.000 0.226 235 P C 1.392 178.674 177.300 -0.031 0.000 1.146 235 P CA 1.365 64.454 63.100 -0.019 0.000 0.773 235 P CB 0.206 31.897 31.700 -0.016 0.000 0.772 236 V N -1.294 118.601 119.914 -0.032 0.000 3.359 236 V HA 0.070 4.190 4.120 -0.000 0.000 0.245 236 V C 2.452 178.516 176.094 -0.050 0.000 1.247 236 V CA 0.250 62.519 62.300 -0.052 0.000 1.145 236 V CB -0.502 31.293 31.823 -0.048 0.000 0.906 236 V HN -0.042 nan 8.190 nan 0.000 0.464 237 L N 0.255 121.465 121.223 -0.023 0.000 2.456 237 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 237 L C 2.224 179.088 176.870 -0.010 0.000 1.148 237 L CA 1.459 56.295 54.840 -0.007 0.000 0.825 237 L CB -0.180 41.885 42.059 0.010 0.000 0.937 237 L HN 0.465 nan 8.230 nan 0.000 0.450 238 E N -0.466 119.722 120.200 -0.020 0.000 2.251 238 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 238 E C 2.126 178.707 176.600 -0.031 0.000 0.964 238 E CA 0.617 57.007 56.400 -0.017 0.000 0.868 238 E CB 0.146 29.838 29.700 -0.013 0.000 0.828 238 E HN 0.387 nan 8.360 nan 0.000 0.481 239 A N 0.961 123.747 122.820 -0.056 0.000 2.168 239 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 239 A C 1.984 179.494 177.584 -0.123 0.000 1.152 239 A CA 0.653 52.639 52.037 -0.085 0.000 0.716 239 A CB 0.094 19.029 19.000 -0.109 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.262 118.591 119.914 -0.101 0.000 3.578 240 V HA 0.144 4.264 4.120 -0.000 0.000 0.290 240 V C 2.316 178.420 176.094 0.017 0.000 1.376 240 V CA 0.827 63.078 62.300 -0.083 0.000 1.083 240 V CB 0.035 31.813 31.823 -0.075 0.000 0.911 240 V HN 0.531 nan 8.190 nan 0.000 0.433 241 A N -0.261 122.564 122.820 0.009 0.000 1.975 241 A HA 0.081 4.401 4.320 -0.000 0.000 0.215 241 A C 1.446 179.051 177.584 0.036 0.000 1.170 241 A CA 0.715 52.769 52.037 0.028 0.000 0.656 241 A CB 0.022 19.032 19.000 0.017 0.000 0.821 241 A HN 0.454 nan 8.150 nan 0.000 0.449 242 K N -2.142 118.273 120.400 0.024 0.000 2.118 242 K HA 0.429 4.749 4.320 -0.000 0.000 0.240 242 K C 1.074 177.716 176.600 0.070 0.000 1.035 242 K CA 0.303 56.610 56.287 0.033 0.000 0.899 242 K CB 0.302 32.810 32.500 0.014 0.000 1.085 242 K HN 0.602 nan 8.250 nan 0.000 0.498 243 A N 0.289 123.157 122.820 0.080 0.000 4.115 243 A HA -0.242 4.078 4.320 -0.000 0.000 0.268 243 A C 1.207 178.866 177.584 0.125 0.000 0.917 243 A CA 1.812 53.924 52.037 0.126 0.000 1.090 243 A CB -2.441 16.695 19.000 0.227 0.000 1.067 243 A HN 1.393 nan 8.150 nan 0.000 0.828 244 G N -1.246 107.617 108.800 0.105 0.000 2.321 244 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G C -0.018 174.939 174.900 0.095 0.000 1.018 244 G CA 1.517 46.668 45.100 0.086 0.000 0.855 244 G HN 1.167 nan 8.290 nan 0.000 0.507 245 K N 0.717 121.213 120.400 0.159 0.000 2.203 245 K HA 0.521 4.841 4.320 -0.000 0.000 0.251 245 K C -2.011 174.694 176.600 0.175 0.000 0.944 245 K CA -1.998 54.366 56.287 0.128 0.000 0.829 245 K CB 2.357 34.886 32.500 0.049 0.000 1.125 245 K HN 0.069 nan 8.250 nan 0.000 0.430 246 P HA 0.123 nan 4.420 nan 0.000 0.274 246 P C -1.129 176.264 177.300 0.154 0.000 1.260 246 P CA -0.524 62.642 63.100 0.110 0.000 0.793 246 P CB 0.649 32.389 31.700 0.067 0.000 1.048 247 L N 0.280 121.578 121.223 0.124 0.000 2.401 247 L HA 0.565 4.905 4.340 -0.000 0.000 0.266 247 L C -1.424 175.485 176.870 0.065 0.000 0.991 247 L CA -1.040 53.879 54.840 0.131 0.000 0.818 247 L CB 1.698 43.828 42.059 0.119 0.000 1.321 247 L HN 0.175 nan 8.230 nan 0.000 0.413 248 L N 5.118 126.380 121.223 0.065 0.000 2.322 248 L HA 0.665 5.005 4.340 -0.000 0.000 0.281 248 L C -1.222 175.665 176.870 0.028 0.000 1.014 248 L CA -0.231 54.622 54.840 0.022 0.000 0.815 248 L CB 1.444 43.523 42.059 0.034 0.000 1.247 248 L HN 0.429 nan 8.230 nan 0.000 0.421 249 I N 6.799 127.367 120.570 -0.004 0.000 2.362 249 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 249 I C -0.400 175.732 176.117 0.025 0.000 0.994 249 I CA -0.289 61.019 61.300 0.012 0.000 1.158 249 I CB 1.236 39.239 38.000 0.005 0.000 1.315 249 I HN 0.534 nan 8.210 nan 0.000 0.451 250 I N 5.713 126.303 120.570 0.034 0.000 2.439 250 I HA 0.679 4.849 4.170 -0.000 0.000 0.283 250 I C -0.033 176.089 176.117 0.008 0.000 1.023 250 I CA -0.240 61.078 61.300 0.029 0.000 1.100 250 I CB 1.784 39.803 38.000 0.030 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.323 127.148 122.820 0.009 0.000 2.588 251 A HA 0.427 4.747 4.320 -0.000 0.000 0.290 251 A C 0.620 178.210 177.584 0.009 0.000 1.136 251 A CA -0.539 51.502 52.037 0.007 0.000 0.681 251 A CB 1.403 20.413 19.000 0.017 0.000 1.282 251 A HN 0.712 nan 8.150 nan 0.000 0.421 252 E N -0.585 119.622 120.200 0.012 0.000 2.147 252 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 252 E C 0.116 176.734 176.600 0.031 0.000 1.005 252 E CA 2.116 58.528 56.400 0.020 0.000 0.810 252 E CB 0.073 29.787 29.700 0.023 0.000 0.736 252 E HN 0.638 nan 8.360 nan 0.000 0.460 253 D N -3.102 117.318 120.400 0.034 0.000 2.940 253 D HA 0.114 4.754 4.640 -0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.049 0.000 1.255 253 D CA -0.372 53.655 54.000 0.045 0.000 0.734 253 D CB 1.024 41.851 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.513 121.464 119.914 0.061 0.000 2.610 254 V HA 0.423 4.543 4.120 -0.000 0.000 0.298 254 V C -0.561 175.576 176.094 0.071 0.000 1.067 254 V CA -0.685 61.656 62.300 0.067 0.000 0.894 254 V CB 1.593 33.468 31.823 0.085 0.000 1.015 254 V HN 0.443 nan 8.190 nan 0.000 0.432 255 E N 2.395 122.629 120.200 0.058 0.000 2.250 255 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 255 E C 1.420 178.051 176.600 0.051 0.000 1.018 255 E CA -0.142 56.290 56.400 0.052 0.000 0.873 255 E CB 1.637 31.361 29.700 0.040 0.000 1.134 255 E HN 0.775 nan 8.360 nan 0.000 0.403 256 G N 1.640 110.468 108.800 0.047 0.000 3.437 256 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G C 1.221 176.142 174.900 0.036 0.000 1.054 256 G CA 1.665 46.789 45.100 0.040 0.000 0.704 256 G HN 0.540 nan 8.290 nan 0.000 0.713 257 E N 0.712 120.932 120.200 0.034 0.000 2.002 257 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 257 E C 2.942 179.564 176.600 0.036 0.000 0.974 257 E CA 0.956 57.373 56.400 0.029 0.000 0.853 257 E CB -0.857 28.858 29.700 0.025 0.000 0.808 257 E HN 0.328 nan 8.360 nan 0.000 0.492 258 A N 1.023 123.868 122.820 0.041 0.000 2.234 258 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 258 A C 2.081 179.709 177.584 0.073 0.000 1.167 258 A CA 1.157 53.224 52.037 0.050 0.000 0.698 258 A CB -0.468 18.561 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.587 120.682 121.223 0.077 0.000 2.056 259 L HA 0.202 4.542 4.340 -0.000 0.000 0.202 259 L C 2.511 179.429 176.870 0.079 0.000 1.086 259 L CA 2.119 57.025 54.840 0.109 0.000 0.758 259 L CB -0.998 41.124 42.059 0.106 0.000 0.912 259 L HN 0.225 nan 8.230 nan 0.000 0.446 260 A N -1.675 121.172 122.820 0.045 0.000 2.234 260 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 260 A C 2.055 179.636 177.584 -0.004 0.000 1.167 260 A CA 1.873 53.915 52.037 0.009 0.000 0.698 260 A CB -1.062 17.941 19.000 0.005 0.000 0.779 260 A HN 0.598 nan 8.150 nan 0.000 0.475 261 T N -0.092 114.475 114.554 0.021 0.000 2.814 261 T HA 0.054 4.404 4.350 -0.000 0.000 0.254 261 T C 1.755 176.472 174.700 0.027 0.000 1.037 261 T CA 1.173 63.284 62.100 0.019 0.000 1.143 261 T CB -0.240 68.646 68.868 0.031 0.000 0.866 261 T HN 0.411 nan 8.240 nan 0.000 0.431 262 L N 1.113 122.378 121.223 0.070 0.000 2.156 262 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 262 L C 2.528 179.434 176.870 0.061 0.000 1.095 262 L CA 0.588 55.498 54.840 0.116 0.000 0.770 262 L CB -0.718 41.476 42.059 0.224 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.428 119.462 119.914 -0.039 0.000 2.688 263 V HA -0.208 3.912 4.120 -0.000 0.000 0.256 263 V C 2.139 178.108 176.094 -0.210 0.000 1.084 263 V CA 1.304 63.455 62.300 -0.247 0.000 1.103 263 V CB -0.166 31.531 31.823 -0.211 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -0.999 118.844 119.914 -0.118 0.000 3.048 264 V HA -0.012 4.108 4.120 -0.000 0.000 0.241 264 V C 1.908 177.965 176.094 -0.061 0.000 1.129 264 V CA 1.099 63.332 62.300 -0.113 0.000 1.128 264 V CB -0.476 31.292 31.823 -0.092 0.000 0.849 264 V HN 0.498 nan 8.190 nan 0.000 0.475 265 N N 0.982 119.670 118.700 -0.020 0.000 2.084 265 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 265 N C 1.779 177.299 175.510 0.017 0.000 1.030 265 N CA 1.893 54.946 53.050 0.005 0.000 0.849 265 N CB -0.042 38.461 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.658 112.921 114.554 0.041 0.000 3.194 266 T HA 0.071 4.421 4.350 -0.000 0.000 0.251 266 T C 1.403 176.119 174.700 0.027 0.000 1.132 266 T CA 0.133 62.271 62.100 0.063 0.000 1.028 266 T CB 0.104 69.058 68.868 0.142 0.000 0.976 266 T HN 0.032 nan 8.240 nan 0.000 0.535 267 M N 0.636 120.222 119.600 -0.022 0.000 2.447 267 M HA 0.394 4.874 4.480 -0.000 0.000 0.266 267 M C 2.158 178.435 176.300 -0.039 0.000 1.120 267 M CA 1.032 56.297 55.300 -0.058 0.000 1.166 267 M CB 0.120 32.642 32.600 -0.131 0.000 1.349 267 M HN 0.060 nan 8.290 nan 0.000 0.463 268 R N -0.542 119.941 120.500 -0.028 0.000 2.297 268 R HA 0.292 4.632 4.340 -0.000 0.000 0.197 268 R C 0.874 177.172 176.300 -0.003 0.000 0.943 268 R CA 0.717 56.805 56.100 -0.019 0.000 1.038 268 R CB 0.091 30.380 30.300 -0.019 0.000 0.957 268 R HN 0.598 nan 8.270 nan 0.000 0.484 269 G N 1.110 109.914 108.800 0.007 0.000 2.148 269 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G C 0.116 175.030 174.900 0.024 0.000 0.993 269 G CA -0.536 44.575 45.100 0.018 0.000 0.661 269 G HN 0.208 nan 8.290 nan 0.000 0.518 270 I N 1.915 122.499 120.570 0.022 0.000 2.256 270 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 270 I C 0.822 176.963 176.117 0.039 0.000 1.127 270 I CA -0.778 60.537 61.300 0.026 0.000 1.247 270 I CB 0.618 38.629 38.000 0.018 0.000 1.460 270 I HN 0.097 nan 8.210 nan 0.000 0.511 271 V N 4.674 124.616 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.190 176.329 176.094 0.076 0.000 0.682 271 V CA 0.431 62.767 62.300 0.060 0.000 1.959 271 V CB -1.497 30.360 31.823 0.056 0.000 2.372 271 V HN 0.757 nan 8.190 nan 0.000 0.501 272 K N 3.994 124.444 120.400 0.083 0.000 2.368 272 K HA 0.688 5.008 4.320 -0.000 0.000 0.282 272 K C -0.169 176.499 176.600 0.115 0.000 1.035 272 K CA -0.114 56.236 56.287 0.105 0.000 0.973 272 K CB 1.330 33.887 32.500 0.094 0.000 0.957 272 K HN 0.528 nan 8.250 nan 0.000 0.474 273 V N 0.658 120.665 119.914 0.155 0.000 3.159 273 V HA 0.871 4.991 4.120 -0.000 0.000 0.308 273 V C -1.136 174.984 176.094 0.044 0.000 1.190 273 V CA -1.059 61.305 62.300 0.106 0.000 1.037 273 V CB 2.243 34.132 31.823 0.110 0.000 1.060 273 V HN 0.822 nan 8.190 nan 0.000 0.437 274 A N 1.290 123.978 122.820 -0.220 0.000 2.594 274 A HA 1.037 5.357 4.320 -0.000 0.000 0.295 274 A C -0.918 176.363 177.584 -0.505 0.000 1.071 274 A CA -0.049 51.495 52.037 -0.820 0.000 0.685 274 A CB 1.954 20.597 19.000 -0.595 0.000 1.285 274 A HN 1.950 nan 8.150 nan 0.000 0.405 275 A N 0.154 122.614 122.820 -0.600 0.000 2.498 275 A HA 0.932 5.252 4.320 -0.000 0.000 0.298 275 A C -0.668 176.866 177.584 -0.083 0.000 1.075 275 A CA -0.093 51.827 52.037 -0.194 0.000 0.714 275 A CB 1.575 20.538 19.000 -0.062 0.000 1.299 275 A HN 2.368 nan 8.150 nan 0.000 0.407 276 V N -1.361 118.564 119.914 0.018 0.000 2.969 276 V HA 0.552 4.672 4.120 -0.000 0.000 0.304 276 V C -0.604 175.547 176.094 0.094 0.000 1.192 276 V CA -1.332 61.019 62.300 0.084 0.000 0.962 276 V CB 1.306 33.208 31.823 0.131 0.000 1.045 276 V HN 0.913 nan 8.190 nan 0.000 0.428 277 K N 2.241 122.697 120.400 0.092 0.000 2.518 277 K HA 0.496 4.816 4.320 -0.000 0.000 0.276 277 K C 0.804 177.422 176.600 0.029 0.000 0.974 277 K CA 0.534 56.858 56.287 0.062 0.000 0.986 277 K CB 0.726 33.264 32.500 0.064 0.000 0.901 277 K HN 1.153 nan 8.250 nan 0.000 0.497 278 A N 4.200 127.006 122.820 -0.024 0.000 2.364 278 A HA 0.182 4.502 4.320 -0.000 0.000 0.258 278 A C -2.021 175.461 177.584 -0.170 0.000 1.131 278 A CA -0.753 51.207 52.037 -0.129 0.000 0.800 278 A CB -0.489 18.455 19.000 -0.093 0.000 1.086 278 A HN 0.547 nan 8.150 nan 0.000 0.508 279 P HA 0.403 nan 4.420 nan 0.000 0.284 279 P C 0.698 177.960 177.300 -0.062 0.000 1.253 279 P CA 1.098 64.057 63.100 -0.236 0.000 0.800 279 P CB 0.865 32.322 31.700 -0.405 0.000 0.961 280 G N 2.783 111.608 108.800 0.042 0.000 2.581 280 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.291 280 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.291 280 G C -0.504 174.555 174.900 0.265 0.000 1.277 280 G CA 0.748 45.941 45.100 0.155 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.435 116.514 119.950 -0.002 0.000 2.831 281 F HA 0.728 5.255 4.527 -0.000 0.000 0.318 281 F C 0.930 176.736 175.800 0.010 0.000 1.174 281 F CA 0.368 58.369 58.000 0.003 0.000 0.918 281 F CB 0.704 39.712 39.000 0.013 0.000 1.364 281 F HN 2.443 nan 8.300 nan 0.000 0.475 282 G N 0.971 109.774 108.800 0.006 0.000 2.527 282 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.268 282 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.268 282 G C 0.158 174.999 174.900 -0.099 0.000 1.175 282 G CA 0.508 45.547 45.100 -0.102 0.000 0.962 282 G HN 0.909 nan 8.290 nan 0.000 0.560 283 D N 0.964 121.288 120.400 -0.125 0.000 2.249 283 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 283 D C 2.536 178.776 176.300 -0.099 0.000 0.962 283 D CA 1.183 55.133 54.000 -0.083 0.000 0.860 283 D CB -0.023 40.740 40.800 -0.062 0.000 0.955 283 D HN 0.635 nan 8.370 nan 0.000 0.505 284 R N 1.147 121.557 120.500 -0.150 0.000 2.276 284 R HA 0.064 4.404 4.340 -0.000 0.000 0.203 284 R C 2.095 178.322 176.300 -0.121 0.000 1.017 284 R CA 0.359 56.378 56.100 -0.136 0.000 1.010 284 R CB -0.236 29.964 30.300 -0.168 0.000 0.900 284 R HN 0.006 nan 8.270 nan 0.000 0.469 285 R N 2.119 122.549 120.500 -0.118 0.000 2.066 285 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 285 R C 1.253 177.511 176.300 -0.070 0.000 1.131 285 R CA 1.558 57.610 56.100 -0.080 0.000 0.955 285 R CB -0.057 30.223 30.300 -0.034 0.000 0.851 285 R HN 0.223 nan 8.270 nan 0.000 0.432 286 K N -0.088 120.278 120.400 -0.057 0.000 2.442 286 K HA -0.031 4.289 4.320 -0.000 0.000 0.198 286 K C 1.712 178.282 176.600 -0.049 0.000 1.042 286 K CA 0.936 57.196 56.287 -0.045 0.000 0.958 286 K CB 0.154 32.634 32.500 -0.033 0.000 0.766 286 K HN 0.275 nan 8.250 nan 0.000 0.474 287 A N 0.920 123.705 122.820 -0.060 0.000 1.909 287 A HA 0.059 4.379 4.320 -0.000 0.000 0.209 287 A C 2.048 179.594 177.584 -0.063 0.000 1.247 287 A CA 0.268 52.271 52.037 -0.056 0.000 0.660 287 A CB -0.217 18.748 19.000 -0.057 0.000 0.910 287 A HN 0.050 nan 8.150 nan 0.000 0.465 288 M N -0.371 119.182 119.600 -0.079 0.000 2.082 288 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 288 M C 2.252 178.491 176.300 -0.102 0.000 1.069 288 M CA 1.852 57.097 55.300 -0.091 0.000 1.102 288 M CB -0.492 32.039 32.600 -0.116 0.000 1.336 288 M HN 0.535 nan 8.290 nan 0.000 0.404 289 L N 0.185 121.341 121.223 -0.111 0.000 2.127 289 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 289 L C 2.485 179.316 176.870 -0.065 0.000 1.089 289 L CA 1.565 56.340 54.840 -0.108 0.000 0.757 289 L CB -0.260 41.744 42.059 -0.091 0.000 0.899 289 L HN 0.316 nan 8.230 nan 0.000 0.434 290 Q N 0.047 119.817 119.800 -0.050 0.000 2.167 290 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 290 Q C 1.671 177.657 176.000 -0.024 0.000 0.970 290 Q CA 2.002 57.786 55.803 -0.032 0.000 0.855 290 Q CB -0.178 28.543 28.738 -0.028 0.000 0.911 290 Q HN 0.543 nan 8.270 nan 0.000 0.438 291 D N 0.170 120.552 120.400 -0.030 0.000 2.084 291 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 291 D C 1.901 178.198 176.300 -0.004 0.000 0.990 291 D CA 1.420 55.410 54.000 -0.017 0.000 0.826 291 D CB -0.286 40.503 40.800 -0.018 0.000 0.971 291 D HN 0.359 nan 8.370 nan 0.000 0.453 292 I N 1.353 121.917 120.570 -0.010 0.000 2.236 292 I HA -0.322 3.848 4.170 -0.000 0.000 0.249 292 I C 2.451 178.580 176.117 0.019 0.000 1.102 292 I CA 1.083 62.392 61.300 0.015 0.000 1.365 292 I CB -0.212 37.786 38.000 -0.003 0.000 1.051 292 I HN -0.056 nan 8.210 nan 0.000 0.420 293 A N 0.443 123.267 122.820 0.006 0.000 1.841 293 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 293 A C 2.378 179.971 177.584 0.015 0.000 1.195 293 A CA 2.370 54.415 52.037 0.012 0.000 0.611 293 A CB -1.119 17.884 19.000 0.004 0.000 0.835 293 A HN 0.368 nan 8.150 nan 0.000 0.443 294 T N 0.734 115.293 114.554 0.008 0.000 2.720 294 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 294 T C 1.829 176.537 174.700 0.013 0.000 1.037 294 T CA 1.304 63.409 62.100 0.009 0.000 1.144 294 T CB -0.362 68.508 68.868 0.003 0.000 0.864 294 T HN 0.297 nan 8.240 nan 0.000 0.444 295 L N 2.146 123.379 121.223 0.016 0.000 2.131 295 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 295 L C 1.840 178.724 176.870 0.023 0.000 1.092 295 L CA 2.177 57.029 54.840 0.020 0.000 0.759 295 L CB -1.239 40.837 42.059 0.028 0.000 0.903 295 L HN 0.462 nan 8.230 nan 0.000 0.435 296 T N -3.789 110.782 114.554 0.029 0.000 3.248 296 T HA 0.367 4.717 4.350 -0.000 0.000 0.271 296 T C 1.031 175.753 174.700 0.036 0.000 1.005 296 T CA 0.126 62.245 62.100 0.033 0.000 0.902 296 T CB -0.317 68.577 68.868 0.044 0.000 1.102 296 T HN 0.518 nan 8.240 nan 0.000 0.548 297 G N 0.200 109.018 108.800 0.030 0.000 2.393 297 G HA2 0.138 4.098 3.960 -0.000 0.000 0.299 297 G HA3 0.138 4.098 3.960 -0.000 0.000 0.299 297 G C 0.383 175.308 174.900 0.042 0.000 0.990 297 G CA 0.009 45.128 45.100 0.032 0.000 1.118 297 G HN 1.141 nan 8.290 nan 0.000 0.513 298 G N -1.554 107.268 108.800 0.037 0.000 3.135 298 G HA2 0.924 4.884 3.960 -0.000 0.000 0.278 298 G HA3 0.924 4.884 3.960 -0.000 0.000 0.278 298 G C -0.663 174.250 174.900 0.023 0.000 1.302 298 G CA 0.305 45.428 45.100 0.038 0.000 0.880 298 G HN 0.840 nan 8.290 nan 0.000 0.574 299 T N -0.470 114.096 114.554 0.018 0.000 2.916 299 T HA 0.519 4.869 4.350 -0.000 0.000 0.305 299 T C -0.641 174.063 174.700 0.005 0.000 1.119 299 T CA -0.368 61.737 62.100 0.009 0.000 1.008 299 T CB 1.956 70.828 68.868 0.006 0.000 1.129 299 T HN 0.428 nan 8.240 nan 0.000 0.480 300 V N 2.821 122.735 119.914 -0.000 0.000 2.583 300 V HA 0.388 4.508 4.120 -0.000 0.000 0.287 300 V C 0.012 176.104 176.094 -0.004 0.000 1.051 300 V CA -0.441 61.856 62.300 -0.004 0.000 1.010 300 V CB 0.676 32.493 31.823 -0.010 0.000 0.988 300 V HN 0.723 nan 8.190 nan 0.000 0.478 301 I N 5.024 125.592 120.570 -0.003 0.000 2.412 301 I HA 0.325 4.495 4.170 -0.000 0.000 0.279 301 I C 0.307 176.422 176.117 -0.002 0.000 1.063 301 I CA 0.064 61.362 61.300 -0.002 0.000 1.193 301 I CB 0.913 38.912 38.000 -0.001 0.000 1.370 301 I HN 0.727 nan 8.210 nan 0.000 0.479 302 S N 2.695 118.393 115.700 -0.003 0.000 2.621 302 S HA 0.452 4.922 4.470 -0.000 0.000 0.302 302 S C 0.460 175.059 174.600 -0.001 0.000 1.093 302 S CA -0.826 57.373 58.200 -0.002 0.000 1.017 302 S CB 2.149 65.347 63.200 -0.004 0.000 1.077 302 S HN 0.552 nan 8.310 nan 0.000 0.517 303 E N 0.351 120.551 120.200 0.001 0.000 2.442 303 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 303 E C 1.070 177.671 176.600 0.001 0.000 1.030 303 E CA 0.318 56.719 56.400 0.002 0.000 0.869 303 E CB -0.023 29.679 29.700 0.004 0.000 0.857 303 E HN 0.748 nan 8.360 nan 0.000 0.505 304 E N 0.454 120.654 120.200 0.000 0.000 2.338 304 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 304 E C 1.416 178.015 176.600 -0.001 0.000 1.007 304 E CA 0.688 57.088 56.400 -0.000 0.000 0.849 304 E CB 0.154 29.853 29.700 -0.001 0.000 0.774 304 E HN 0.341 nan 8.360 nan 0.000 0.506 305 I N -0.933 119.636 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.362 4.170 -0.000 0.000 0.334 305 I C 0.876 176.992 176.117 -0.001 0.000 1.371 305 I CA 0.027 61.326 61.300 -0.002 0.000 1.110 305 I CB 1.003 39.002 38.000 -0.003 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.152 110.952 108.800 -0.001 0.000 2.165 306 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G C -0.011 174.889 174.900 -0.001 0.000 1.035 306 G CA -0.339 44.761 45.100 -0.000 0.000 0.744 306 G HN 0.238 nan 8.290 nan 0.000 0.501 307 M N 0.285 119.884 119.600 -0.001 0.000 2.300 307 M HA 0.520 5.000 4.480 -0.000 0.000 0.348 307 M C 0.216 176.515 176.300 -0.001 0.000 1.151 307 M CA -0.208 55.091 55.300 -0.002 0.000 1.046 307 M CB 1.459 34.057 32.600 -0.002 0.000 1.647 307 M HN 0.220 nan 8.290 nan 0.000 0.451 308 E N 2.051 122.250 120.200 -0.002 0.000 2.227 308 E HA 0.325 4.675 4.350 -0.000 0.000 0.268 308 E C 0.204 176.802 176.600 -0.003 0.000 0.907 308 E CA -0.555 55.845 56.400 -0.001 0.000 0.786 308 E CB 2.231 31.930 29.700 -0.001 0.000 1.191 308 E HN 0.682 nan 8.360 nan 0.000 0.411 309 L N 1.629 122.851 121.223 -0.002 0.000 2.456 309 L HA -0.143 4.197 4.340 -0.000 0.000 0.224 309 L C 1.433 178.298 176.870 -0.007 0.000 1.148 309 L CA 0.900 55.738 54.840 -0.004 0.000 0.825 309 L CB -0.198 41.862 42.059 0.001 0.000 0.937 309 L HN 0.520 nan 8.230 nan 0.000 0.450 310 E N 0.351 120.548 120.200 -0.006 0.000 2.158 310 E HA -0.058 4.291 4.350 -0.000 0.000 0.191 310 E C 0.645 177.238 176.600 -0.012 0.000 0.982 310 E CA 0.802 57.197 56.400 -0.008 0.000 0.823 310 E CB 0.125 29.822 29.700 -0.005 0.000 0.766 310 E HN 0.260 nan 8.360 nan 0.000 0.468 311 K N 0.724 121.117 120.400 -0.011 0.000 2.765 311 K HA 0.522 4.842 4.320 -0.000 0.000 0.246 311 K C -0.917 175.674 176.600 -0.015 0.000 1.254 311 K CA -0.234 56.046 56.287 -0.012 0.000 1.219 311 K CB 0.952 33.447 32.500 -0.008 0.000 1.747 311 K HN -0.053 nan 8.250 nan 0.000 0.372 312 A N 1.123 123.930 122.820 -0.021 0.000 2.442 312 A HA 0.349 4.669 4.320 -0.000 0.000 0.284 312 A C 0.228 177.786 177.584 -0.043 0.000 1.058 312 A CA -0.760 51.261 52.037 -0.027 0.000 0.738 312 A CB 0.726 19.712 19.000 -0.025 0.000 1.242 312 A HN 0.376 nan 8.150 nan 0.000 0.421 313 T N 0.070 114.597 114.554 -0.046 0.000 3.018 313 T HA 0.475 4.825 4.350 -0.000 0.000 0.338 313 T C 1.076 175.714 174.700 -0.104 0.000 1.208 313 T CA -0.139 61.923 62.100 -0.065 0.000 0.963 313 T CB 0.032 68.872 68.868 -0.046 0.000 1.697 313 T HN 0.382 nan 8.240 nan 0.000 0.560 314 L N -0.024 121.120 121.223 -0.132 0.000 2.567 314 L HA 0.273 4.613 4.340 -0.000 0.000 0.225 314 L C 2.758 179.569 176.870 -0.098 0.000 1.119 314 L CA 0.483 55.186 54.840 -0.228 0.000 0.871 314 L CB -0.355 41.517 42.059 -0.312 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.534 120.711 120.200 -0.038 0.000 2.170 315 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 315 E C 0.943 177.553 176.600 0.017 0.000 0.981 315 E CA 0.745 57.151 56.400 0.010 0.000 0.830 315 E CB 0.335 30.039 29.700 0.006 0.000 0.775 315 E HN 0.393 nan 8.360 nan 0.000 0.470 316 D N 0.386 120.784 120.400 -0.003 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.208 176.102 176.300 0.017 0.000 1.020 316 D CA 0.309 54.312 54.000 0.005 0.000 0.892 316 D CB 0.237 41.033 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.355 121.594 121.223 0.027 0.000 2.357 317 L HA 0.394 4.734 4.340 -0.000 0.000 0.273 317 L C 1.291 178.242 176.870 0.135 0.000 1.080 317 L CA -0.511 54.371 54.840 0.069 0.000 0.803 317 L CB 1.411 43.495 42.059 0.040 0.000 1.174 317 L HN -0.174 nan 8.230 nan 0.000 0.443 318 G N 1.114 109.990 108.800 0.127 0.000 2.599 318 G HA2 0.482 4.442 3.960 -0.000 0.000 0.264 318 G HA3 0.482 4.442 3.960 -0.000 0.000 0.264 318 G C -0.992 173.995 174.900 0.146 0.000 1.200 318 G CA -0.167 45.001 45.100 0.112 0.000 0.896 318 G HN 0.602 nan 8.290 nan 0.000 0.536 319 Q N -1.013 118.831 119.800 0.073 0.000 2.403 319 Q HA 0.551 4.891 4.340 -0.000 0.000 0.267 319 Q C -1.126 174.856 176.000 -0.031 0.000 0.991 319 Q CA -0.717 55.085 55.803 -0.002 0.000 0.906 319 Q CB 1.812 30.527 28.738 -0.037 0.000 1.422 319 Q HN 0.982 nan 8.270 nan 0.000 0.400 320 A N 2.546 125.329 122.820 -0.061 0.000 2.524 320 A HA 0.599 4.919 4.320 -0.000 0.000 0.286 320 A C -0.831 176.710 177.584 -0.072 0.000 1.203 320 A CA -0.645 51.363 52.037 -0.048 0.000 0.736 320 A CB 1.587 20.574 19.000 -0.022 0.000 1.322 320 A HN 0.754 nan 8.150 nan 0.000 0.424 321 K N -0.520 119.848 120.400 -0.053 0.000 2.387 321 K HA 0.310 4.630 4.320 -0.000 0.000 0.198 321 K C -0.020 176.553 176.600 -0.045 0.000 1.022 321 K CA 0.346 56.600 56.287 -0.055 0.000 1.128 321 K CB 0.358 32.833 32.500 -0.042 0.000 0.853 321 K HN 0.511 nan 8.250 nan 0.000 0.523 322 R N 0.000 120.476 120.500 -0.041 0.000 4.584 322 R HA 0.038 4.378 4.340 -0.000 0.000 0.251 322 R C -2.183 174.099 176.300 -0.030 0.000 0.957 322 R CA -0.476 55.605 56.100 -0.032 0.000 1.195 322 R CB 0.756 31.040 30.300 -0.027 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.260 120.157 119.914 -0.028 0.000 2.932 323 V HA 0.886 5.006 4.120 -0.000 0.000 0.307 323 V C -1.226 174.848 176.094 -0.034 0.000 1.147 323 V CA -0.721 61.557 62.300 -0.036 0.000 0.951 323 V CB 2.198 34.002 31.823 -0.032 0.000 1.031 323 V HN 0.424 nan 8.190 nan 0.000 0.426 324 V N 4.544 124.427 119.914 -0.052 0.000 2.864 324 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 324 V C -0.358 175.698 176.094 -0.064 0.000 1.073 324 V CA -0.505 61.772 62.300 -0.038 0.000 0.956 324 V CB 1.982 33.785 31.823 -0.034 0.000 1.023 324 V HN 1.082 nan 8.190 nan 0.000 0.435 325 I N 0.137 120.693 120.570 -0.023 0.000 2.576 325 I HA 0.505 4.675 4.170 -0.000 0.000 0.279 325 I C -0.116 175.994 176.117 -0.010 0.000 1.114 325 I CA -0.580 60.696 61.300 -0.041 0.000 1.076 325 I CB 1.164 39.158 38.000 -0.010 0.000 1.212 325 I HN 0.434 nan 8.210 nan 0.000 0.472 326 N N 4.592 123.238 118.700 -0.090 0.000 2.255 326 N HA 0.008 4.748 4.740 -0.000 0.000 0.260 326 N C 1.046 176.287 175.510 -0.447 0.000 1.288 326 N CA -0.053 52.922 53.050 -0.124 0.000 0.894 326 N CB 0.738 39.166 38.487 -0.098 0.000 1.033 326 N HN 0.678 nan 8.380 nan 0.000 0.477 327 K N 0.366 120.493 120.400 -0.455 0.000 2.148 327 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 327 K C -0.315 175.911 176.600 -0.623 0.000 1.050 327 K CA 1.792 57.611 56.287 -0.780 0.000 0.942 327 K CB 0.006 32.359 32.500 -0.244 0.000 0.724 327 K HN 0.609 nan 8.250 nan 0.000 0.446 328 D N -1.100 119.105 120.400 -0.326 0.000 2.822 328 D HA 0.103 4.743 4.640 -0.000 0.000 0.327 328 D C -1.136 175.088 176.300 -0.125 0.000 1.577 328 D CA -0.482 53.405 54.000 -0.188 0.000 0.785 328 D CB 0.869 41.606 40.800 -0.104 0.000 1.199 328 D HN -0.159 nan 8.370 nan 0.000 0.443 329 T N -0.117 114.339 114.554 -0.162 0.000 3.293 329 T HA 0.464 4.814 4.350 -0.000 0.000 0.320 329 T C -0.431 174.141 174.700 -0.213 0.000 0.995 329 T CA -0.455 61.556 62.100 -0.149 0.000 1.041 329 T CB 1.937 70.738 68.868 -0.110 0.000 1.058 329 T HN -0.051 nan 8.240 nan 0.000 0.453 330 T N 1.750 116.090 114.554 -0.356 0.000 2.884 330 T HA 0.822 5.172 4.350 -0.000 0.000 0.277 330 T C -0.066 174.314 174.700 -0.533 0.000 0.976 330 T CA -0.578 61.219 62.100 -0.504 0.000 0.956 330 T CB 1.497 69.835 68.868 -0.882 0.000 1.113 330 T HN 0.715 nan 8.240 nan 0.000 0.554 331 T N 0.868 115.150 114.554 -0.453 0.000 4.242 331 T HA 0.316 4.666 4.350 -0.000 0.000 0.422 331 T C -1.621 172.974 174.700 -0.174 0.000 1.136 331 T CA -0.596 61.326 62.100 -0.297 0.000 1.071 331 T CB -0.159 68.596 68.868 -0.187 0.000 1.260 331 T HN 0.456 nan 8.240 nan 0.000 0.453 332 I N 5.798 126.297 120.570 -0.118 0.000 2.353 332 I HA 0.517 4.687 4.170 -0.000 0.000 0.293 332 I C -0.006 176.093 176.117 -0.030 0.000 0.992 332 I CA -0.959 60.316 61.300 -0.042 0.000 1.268 332 I CB 1.444 39.457 38.000 0.022 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.431 125.985 120.570 -0.027 0.000 2.362 333 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 333 I C -0.647 175.459 176.117 -0.019 0.000 0.994 333 I CA -0.522 60.764 61.300 -0.024 0.000 1.158 333 I CB 1.406 39.389 38.000 -0.028 0.000 1.315 333 I HN 0.611 nan 8.210 nan 0.000 0.451 334 D N 4.659 125.050 120.400 -0.014 0.000 4.597 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.234 334 D C -0.209 176.084 176.300 -0.012 0.000 1.052 334 D CA 1.196 55.189 54.000 -0.012 0.000 1.265 334 D CB 0.185 40.975 40.800 -0.016 0.000 0.738 334 D HN 0.813 nan 8.370 nan 0.000 0.372 335 G N 1.627 110.424 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.171 176.070 174.900 -0.002 0.000 1.177 335 G CA -0.418 44.681 45.100 -0.001 0.000 0.951 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 V N 1.170 121.084 119.914 -0.000 0.000 2.720 336 V HA -0.004 4.116 4.120 -0.000 0.000 0.256 336 V C 2.167 178.266 176.094 0.008 0.000 1.082 336 V CA 1.103 63.405 62.300 0.002 0.000 1.101 336 V CB -1.263 30.565 31.823 0.008 0.000 0.693 336 V HN 0.845 nan 8.190 nan 0.000 0.479 337 G N 1.234 110.041 108.800 0.011 0.000 2.187 337 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.239 337 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.239 337 G C -0.063 174.842 174.900 0.008 0.000 1.200 337 G CA -0.087 45.019 45.100 0.011 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.858 122.063 120.200 0.007 0.000 2.354 338 E HA 0.064 4.414 4.350 -0.000 0.000 0.269 338 E C 0.671 177.273 176.600 0.004 0.000 1.036 338 E CA -0.222 56.181 56.400 0.005 0.000 0.876 338 E CB 1.323 31.026 29.700 0.006 0.000 1.009 338 E HN 0.654 nan 8.360 nan 0.000 0.416 339 E N 1.342 121.544 120.200 0.002 0.000 2.527 339 E HA -0.159 4.191 4.350 -0.000 0.000 0.204 339 E C 0.957 177.557 176.600 0.001 0.000 1.132 339 E CA 0.206 56.607 56.400 0.001 0.000 0.905 339 E CB 0.000 29.700 29.700 0.000 0.000 0.875 339 E HN 0.500 nan 8.360 nan 0.000 0.548 340 A N 1.202 124.023 122.820 0.002 0.000 1.884 340 A HA 0.231 4.551 4.320 -0.000 0.000 0.212 340 A C 2.292 179.876 177.584 0.001 0.000 1.265 340 A CA 0.741 52.779 52.037 0.001 0.000 0.626 340 A CB -0.423 18.578 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.490 122.331 122.820 0.002 0.000 2.121 341 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 341 A C 1.951 179.536 177.584 0.001 0.000 1.154 341 A CA 1.172 53.210 52.037 0.002 0.000 0.679 341 A CB -0.563 18.439 19.000 0.003 0.000 0.795 341 A HN 0.495 nan 8.150 nan 0.000 0.458 342 I N -1.652 118.919 120.570 0.002 0.000 2.429 342 I HA -0.133 4.037 4.170 -0.000 0.000 0.247 342 I C 2.538 178.655 176.117 -0.001 0.000 1.099 342 I CA 1.164 62.465 61.300 0.001 0.000 1.422 342 I CB -0.158 37.843 38.000 0.003 0.000 1.112 342 I HN 0.295 nan 8.210 nan 0.000 0.430 343 Q N 1.257 121.056 119.800 -0.001 0.000 2.364 343 Q HA -0.068 4.272 4.340 -0.000 0.000 0.207 343 Q C 1.856 177.854 176.000 -0.003 0.000 0.970 343 Q CA 1.547 57.349 55.803 -0.002 0.000 0.888 343 Q CB -0.285 28.452 28.738 -0.002 0.000 0.951 343 Q HN 0.470 nan 8.270 nan 0.000 0.469 344 G N -0.581 108.218 108.800 -0.002 0.000 2.459 344 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 344 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 344 G C 1.519 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.387 45.485 45.100 -0.003 0.000 0.811 344 G HN 0.278 nan 8.290 nan 0.000 0.534 345 R N 0.531 121.028 120.500 -0.005 0.000 2.115 345 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 345 R C 2.363 178.658 176.300 -0.008 0.000 1.111 345 R CA 1.219 57.315 56.100 -0.007 0.000 0.976 345 R CB -0.705 29.591 30.300 -0.006 0.000 0.870 345 R HN 0.204 nan 8.270 nan 0.000 0.445 346 V N 0.581 120.490 119.914 -0.007 0.000 2.358 346 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 346 V C 2.323 178.412 176.094 -0.009 0.000 1.047 346 V CA 1.779 64.074 62.300 -0.008 0.000 1.035 346 V CB -0.856 30.964 31.823 -0.006 0.000 0.658 346 V HN 0.509 nan 8.190 nan 0.000 0.452 347 A N -0.721 122.094 122.820 -0.007 0.000 1.933 347 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 347 A C 2.191 179.770 177.584 -0.009 0.000 1.175 347 A CA 1.792 53.825 52.037 -0.007 0.000 0.628 347 A CB -0.422 18.574 19.000 -0.006 0.000 0.814 347 A HN 0.622 nan 8.150 nan 0.000 0.444 348 Q N -0.626 119.168 119.800 -0.009 0.000 2.119 348 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 348 Q C 1.923 177.915 176.000 -0.014 0.000 0.972 348 Q CA 1.455 57.252 55.803 -0.011 0.000 0.847 348 Q CB -0.241 28.490 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.143 120.418 120.570 -0.015 0.000 2.617 349 I HA -0.157 4.013 4.170 -0.000 0.000 0.256 349 I C 2.374 178.480 176.117 -0.018 0.000 1.167 349 I CA 0.516 61.805 61.300 -0.019 0.000 1.469 349 I CB -0.111 37.877 38.000 -0.021 0.000 1.098 349 I HN 0.072 nan 8.210 nan 0.000 0.436 350 R N 0.893 121.384 120.500 -0.014 0.000 2.152 350 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 350 R C 2.201 178.493 176.300 -0.012 0.000 1.117 350 R CA 1.315 57.408 56.100 -0.013 0.000 0.981 350 R CB 0.021 30.315 30.300 -0.010 0.000 0.870 350 R HN 0.404 nan 8.270 nan 0.000 0.451 351 Q N -0.875 118.918 119.800 -0.012 0.000 2.250 351 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 351 Q C 1.742 177.734 176.000 -0.012 0.000 0.941 351 Q CA 0.486 56.282 55.803 -0.011 0.000 0.872 351 Q CB 0.406 29.139 28.738 -0.009 0.000 0.965 351 Q HN 0.372 nan 8.270 nan 0.000 0.480 352 Q N 0.399 120.190 119.800 -0.015 0.000 2.248 352 Q HA -0.168 4.172 4.340 -0.000 0.000 0.208 352 Q C 1.915 177.904 176.000 -0.018 0.000 0.984 352 Q CA 1.121 56.913 55.803 -0.018 0.000 0.875 352 Q CB -0.155 28.569 28.738 -0.023 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.727 121.286 120.570 -0.018 0.000 2.617 353 I HA -0.176 3.994 4.170 -0.000 0.000 0.256 353 I C 2.000 178.110 176.117 -0.011 0.000 1.167 353 I CA 0.622 61.912 61.300 -0.017 0.000 1.469 353 I CB -0.193 37.797 38.000 -0.018 0.000 1.098 353 I HN 0.072 nan 8.210 nan 0.000 0.436 354 E N 1.480 121.674 120.200 -0.010 0.000 2.072 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 354 E C 1.178 177.775 176.600 -0.005 0.000 0.982 354 E CA 1.021 57.417 56.400 -0.007 0.000 0.803 354 E CB -0.297 29.400 29.700 -0.006 0.000 0.755 354 E HN 0.581 nan 8.360 nan 0.000 0.453 355 E N 1.143 121.340 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.602 4.350 -0.000 0.000 0.195 355 E C -0.238 176.360 176.600 -0.003 0.000 1.171 355 E CA -0.306 56.091 56.400 -0.004 0.000 1.142 355 E CB 0.221 29.918 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.232 124.050 122.820 -0.003 0.000 2.409 356 A HA 0.152 4.472 4.320 -0.000 0.000 0.267 356 A C 1.255 178.842 177.584 0.005 0.000 1.127 356 A CA -0.211 51.825 52.037 -0.001 0.000 0.795 356 A CB 0.161 19.160 19.000 -0.003 0.000 1.061 356 A HN 0.280 nan 8.150 nan 0.000 0.502 357 T N -0.910 113.649 114.554 0.010 0.000 3.001 357 T HA 0.360 4.710 4.350 -0.000 0.000 0.251 357 T C 0.655 175.368 174.700 0.021 0.000 1.040 357 T CA 0.596 62.704 62.100 0.013 0.000 0.985 357 T CB -0.046 68.829 68.868 0.012 0.000 1.011 357 T HN 0.777 nan 8.240 nan 0.000 0.509 358 S N -0.764 114.953 115.700 0.029 0.000 2.618 358 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 358 S C -0.392 174.240 174.600 0.053 0.000 1.138 358 S CA -0.580 57.648 58.200 0.046 0.000 0.844 358 S CB 1.701 64.941 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.604 121.045 120.400 0.068 0.000 2.183 359 D HA -0.025 4.615 4.640 -0.000 0.000 0.203 359 D C 1.207 177.565 176.300 0.096 0.000 0.969 359 D CA 1.123 55.163 54.000 0.066 0.000 0.842 359 D CB -0.127 40.712 40.800 0.065 0.000 0.957 359 D HN 0.580 nan 8.370 nan 0.000 0.484 360 Y N 2.156 122.453 120.300 -0.004 0.000 2.092 360 Y HA -0.192 4.358 4.550 -0.000 0.000 0.282 360 Y C 1.684 177.576 175.900 -0.013 0.000 1.126 360 Y CA 1.751 59.847 58.100 -0.006 0.000 1.111 360 Y CB -0.468 37.988 38.460 -0.006 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.431 120.018 120.400 0.082 0.000 2.220 361 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 361 D C 2.232 178.486 176.300 -0.076 0.000 1.001 361 D CA 1.719 55.707 54.000 -0.020 0.000 0.875 361 D CB -0.203 40.614 40.800 0.028 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.396 120.867 120.500 -0.048 0.000 2.064 362 R HA -0.123 4.217 4.340 -0.000 0.000 0.228 362 R C 1.966 178.214 176.300 -0.086 0.000 1.144 362 R CA 1.118 57.188 56.100 -0.050 0.000 0.932 362 R CB 0.068 30.357 30.300 -0.020 0.000 0.833 362 R HN 0.062 nan 8.270 nan 0.000 0.429 363 E N 1.167 121.304 120.200 -0.105 0.000 2.045 363 E HA -0.252 4.098 4.350 -0.000 0.000 0.212 363 E C 1.666 178.169 176.600 -0.162 0.000 1.039 363 E CA 1.420 57.745 56.400 -0.125 0.000 0.860 363 E CB -0.341 29.270 29.700 -0.147 0.000 0.776 363 E HN 0.216 nan 8.360 nan 0.000 0.467 364 K N 0.609 120.844 120.400 -0.274 0.000 2.589 364 K HA -0.065 4.255 4.320 -0.000 0.000 0.195 364 K C 2.042 178.552 176.600 -0.149 0.000 1.042 364 K CA 0.486 56.627 56.287 -0.243 0.000 0.940 364 K CB -0.260 32.022 32.500 -0.363 0.000 0.776 364 K HN 0.270 nan 8.250 nan 0.000 0.487 365 L N -0.639 120.514 121.223 -0.117 0.000 2.425 365 L HA 0.021 4.361 4.340 -0.000 0.000 0.215 365 L C 2.063 178.898 176.870 -0.057 0.000 1.065 365 L CA 0.255 55.048 54.840 -0.078 0.000 0.842 365 L CB -0.086 41.934 42.059 -0.065 0.000 1.033 365 L HN 0.098 nan 8.230 nan 0.000 0.474 366 Q N 0.117 119.883 119.800 -0.056 0.000 2.297 366 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 366 Q C 1.685 177.663 176.000 -0.036 0.000 0.962 366 Q CA 1.005 56.784 55.803 -0.039 0.000 0.879 366 Q CB 0.204 28.921 28.738 -0.035 0.000 0.947 366 Q HN 0.502 nan 8.270 nan 0.000 0.462 367 E N 0.498 120.669 120.200 -0.047 0.000 2.051 367 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 367 E C 2.019 178.603 176.600 -0.027 0.000 0.979 367 E CA 0.275 56.654 56.400 -0.036 0.000 0.803 367 E CB 0.110 29.783 29.700 -0.046 0.000 0.761 367 E HN 0.178 nan 8.360 nan 0.000 0.451 368 R N 0.717 121.194 120.500 -0.039 0.000 2.105 368 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 368 R C 2.563 178.852 176.300 -0.019 0.000 1.135 368 R CA 1.629 57.711 56.100 -0.030 0.000 0.967 368 R CB -0.365 29.909 30.300 -0.044 0.000 0.861 368 R HN 0.205 nan 8.270 nan 0.000 0.442 369 V N -2.477 117.424 119.914 -0.021 0.000 2.302 369 V HA -0.021 4.099 4.120 -0.000 0.000 0.243 369 V C 2.353 178.441 176.094 -0.009 0.000 1.036 369 V CA 1.443 63.734 62.300 -0.015 0.000 1.020 369 V CB -1.236 30.577 31.823 -0.017 0.000 0.657 369 V HN 0.209 nan 8.190 nan 0.000 0.453 370 A N 1.054 123.868 122.820 -0.010 0.000 1.869 370 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 370 A C 2.320 179.903 177.584 -0.001 0.000 1.203 370 A CA 2.920 54.953 52.037 -0.006 0.000 0.638 370 A CB -0.928 18.067 19.000 -0.008 0.000 0.831 370 A HN 0.625 nan 8.150 nan 0.000 0.450 371 K N -1.380 119.023 120.400 0.005 0.000 2.218 371 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 371 K C 1.707 178.318 176.600 0.017 0.000 1.046 371 K CA 1.415 57.712 56.287 0.016 0.000 0.933 371 K CB -0.239 32.281 32.500 0.034 0.000 0.728 371 K HN 0.406 nan 8.250 nan 0.000 0.454 372 L N -0.807 120.423 121.223 0.011 0.000 2.477 372 L HA 0.123 4.463 4.340 -0.000 0.000 0.220 372 L C 1.695 178.568 176.870 0.004 0.000 1.106 372 L CA 0.749 55.595 54.840 0.010 0.000 0.851 372 L CB 0.270 42.332 42.059 0.005 0.000 0.994 372 L HN 0.024 nan 8.230 nan 0.000 0.462 373 A N -1.302 121.518 122.820 0.001 0.000 1.963 373 A HA 0.344 4.664 4.320 -0.000 0.000 0.207 373 A C 1.816 179.399 177.584 -0.002 0.000 1.243 373 A CA 0.520 52.556 52.037 -0.002 0.000 0.728 373 A CB -0.680 18.318 19.000 -0.004 0.000 0.895 373 A HN 0.317 nan 8.150 nan 0.000 0.467 374 G N 0.262 109.060 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 374 G C 1.047 175.944 174.900 -0.005 0.000 1.339 374 G CA 0.617 45.715 45.100 -0.005 0.000 1.258 374 G HN 0.791 nan 8.290 nan 0.000 0.560 375 G N 0.186 108.984 108.800 -0.003 0.000 2.998 375 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.855 375 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.855 375 G C 0.141 175.036 174.900 -0.008 0.000 1.032 375 G CA 1.079 46.177 45.100 -0.003 0.000 0.804 375 G HN 0.960 nan 8.290 nan 0.000 0.970 376 V N -0.623 119.284 119.914 -0.012 0.000 2.971 376 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 376 V C 0.375 176.459 176.094 -0.018 0.000 1.130 376 V CA -0.384 61.906 62.300 -0.018 0.000 0.964 376 V CB 1.679 33.489 31.823 -0.022 0.000 1.029 376 V HN 1.430 nan 8.190 nan 0.000 0.427 377 A N 2.614 125.421 122.820 -0.021 0.000 2.309 377 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 377 A C -0.713 176.859 177.584 -0.021 0.000 1.165 377 A CA -0.457 51.569 52.037 -0.020 0.000 0.821 377 A CB 1.137 20.124 19.000 -0.021 0.000 1.102 377 A HN 0.793 nan 8.150 nan 0.000 0.500 378 V N 4.435 124.339 119.914 -0.017 0.000 2.443 378 V HA 0.317 4.437 4.120 -0.000 0.000 0.293 378 V C -0.554 175.532 176.094 -0.012 0.000 1.021 378 V CA -0.121 62.169 62.300 -0.016 0.000 0.848 378 V CB 1.300 33.114 31.823 -0.015 0.000 0.998 378 V HN 0.749 nan 8.190 nan 0.000 0.424 379 I N 5.577 126.140 120.570 -0.012 0.000 2.330 379 I HA 0.405 4.575 4.170 -0.000 0.000 0.286 379 I C 0.123 176.236 176.117 -0.006 0.000 1.025 379 I CA -0.532 60.763 61.300 -0.008 0.000 1.197 379 I CB 1.145 39.141 38.000 -0.008 0.000 1.358 379 I HN 0.443 nan 8.210 nan 0.000 0.467 380 K N 6.158 126.555 120.400 -0.005 0.000 2.250 380 K HA 0.366 4.686 4.320 -0.000 0.000 0.280 380 K C -0.280 176.319 176.600 -0.002 0.000 1.098 380 K CA -0.569 55.716 56.287 -0.004 0.000 0.916 380 K CB 1.237 33.734 32.500 -0.004 0.000 1.209 380 K HN 0.343 nan 8.250 nan 0.000 0.461 381 V N 2.471 122.385 119.914 0.000 0.000 3.083 381 V HA -0.130 3.990 4.120 -0.000 0.000 0.303 381 V C 1.668 177.762 176.094 0.001 0.000 1.151 381 V CA 0.482 62.783 62.300 0.001 0.000 1.275 381 V CB 0.139 31.964 31.823 0.003 0.000 0.950 381 V HN 0.954 nan 8.190 nan 0.000 0.506 382 G N 1.330 110.131 108.800 0.001 0.000 2.393 382 G HA2 0.505 4.465 3.960 -0.000 0.000 0.268 382 G HA3 0.505 4.465 3.960 -0.000 0.000 0.268 382 G C 0.125 175.026 174.900 0.001 0.000 1.472 382 G CA 0.491 45.592 45.100 0.001 0.000 1.059 382 G HN 1.387 nan 8.290 nan 0.000 0.555 383 A N -3.575 119.246 122.820 0.001 0.000 5.519 383 A HA 0.835 5.155 4.320 -0.000 0.000 0.158 383 A C 0.056 177.641 177.584 0.002 0.000 0.860 383 A CA 0.772 52.810 52.037 0.002 0.000 1.134 383 A CB -0.311 18.690 19.000 0.001 0.000 2.248 383 A HN 2.573 nan 8.150 nan 0.000 1.056 384 A N -0.621 122.200 122.820 0.002 0.000 3.033 384 A HA 0.579 4.899 4.320 -0.000 0.000 0.262 384 A C 1.018 178.603 177.584 0.002 0.000 1.301 384 A CA 1.167 53.205 52.037 0.001 0.000 0.727 384 A CB -2.610 16.391 19.000 0.001 0.000 1.094 384 A HN 3.573 nan 8.150 nan 0.000 0.374 385 T N -2.207 112.348 114.554 0.002 0.000 0.541 385 T HA -0.086 4.264 4.350 -0.000 0.000 0.774 385 T C 0.377 175.079 174.700 0.003 0.000 0.992 385 T CA 1.494 63.595 62.100 0.002 0.000 4.077 385 T CB -1.037 67.833 68.868 0.002 0.000 2.303 385 T HN 1.891 nan 8.240 nan 0.000 0.398 386 E N 0.953 121.154 120.200 0.003 0.000 2.085 386 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 386 E C 2.184 178.787 176.600 0.004 0.000 0.994 386 E CA 2.056 58.458 56.400 0.004 0.000 0.801 386 E CB -0.178 29.524 29.700 0.004 0.000 0.743 386 E HN 0.645 nan 8.360 nan 0.000 0.453 387 V N 1.375 121.291 119.914 0.004 0.000 2.332 387 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 387 V C 2.070 178.166 176.094 0.004 0.000 1.055 387 V CA 2.262 64.565 62.300 0.004 0.000 1.038 387 V CB -0.533 31.293 31.823 0.004 0.000 0.651 387 V HN 0.309 nan 8.190 nan 0.000 0.450 388 E N -0.780 119.422 120.200 0.004 0.000 2.158 388 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 388 E C 2.192 178.795 176.600 0.004 0.000 0.982 388 E CA 0.888 57.290 56.400 0.004 0.000 0.823 388 E CB -0.199 29.503 29.700 0.003 0.000 0.766 388 E HN 0.421 nan 8.360 nan 0.000 0.468 389 M N 1.257 120.860 119.600 0.004 0.000 2.086 389 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 389 M C 1.566 177.869 176.300 0.006 0.000 1.067 389 M CA 1.517 56.819 55.300 0.004 0.000 1.116 389 M CB -0.142 32.460 32.600 0.004 0.000 1.348 389 M HN -0.148 nan 8.290 nan 0.000 0.407 390 K N 0.145 120.549 120.400 0.006 0.000 2.439 390 K HA -0.110 4.210 4.320 -0.000 0.000 0.197 390 K C 1.734 178.339 176.600 0.008 0.000 1.041 390 K CA 0.756 57.048 56.287 0.008 0.000 0.970 390 K CB -0.198 32.307 32.500 0.008 0.000 0.773 390 K HN 0.596 nan 8.250 nan 0.000 0.479 391 E N 0.949 121.154 120.200 0.007 0.000 2.166 391 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 391 E C 1.874 178.478 176.600 0.008 0.000 0.967 391 E CA 0.443 56.848 56.400 0.007 0.000 0.840 391 E CB 0.285 29.988 29.700 0.006 0.000 0.795 391 E HN 0.078 nan 8.360 nan 0.000 0.470 392 K N 1.165 121.569 120.400 0.007 0.000 2.062 392 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 392 K C 2.237 178.843 176.600 0.010 0.000 1.051 392 K CA 1.158 57.450 56.287 0.008 0.000 0.941 392 K CB 0.017 32.521 32.500 0.006 0.000 0.719 392 K HN -0.088 nan 8.250 nan 0.000 0.440 393 K N 0.371 120.777 120.400 0.010 0.000 2.059 393 K HA -0.223 4.096 4.320 -0.000 0.000 0.212 393 K C 1.910 178.520 176.600 0.017 0.000 1.050 393 K CA 1.613 57.907 56.287 0.012 0.000 0.927 393 K CB -0.223 32.283 32.500 0.011 0.000 0.714 393 K HN 0.211 nan 8.250 nan 0.000 0.447 394 A N 1.466 124.295 122.820 0.016 0.000 1.845 394 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 394 A C 2.064 179.660 177.584 0.021 0.000 1.195 394 A CA 1.682 53.730 52.037 0.018 0.000 0.616 394 A CB -0.600 18.408 19.000 0.013 0.000 0.832 394 A HN 0.384 nan 8.150 nan 0.000 0.443 395 R N -0.636 119.874 120.500 0.016 0.000 2.211 395 R HA -0.102 4.238 4.340 -0.000 0.000 0.240 395 R C 1.915 178.228 176.300 0.023 0.000 1.144 395 R CA 1.289 57.399 56.100 0.017 0.000 0.992 395 R CB -0.574 29.733 30.300 0.012 0.000 0.869 395 R HN 0.427 nan 8.270 nan 0.000 0.462 396 V N 1.012 120.939 119.914 0.023 0.000 2.283 396 V HA -0.203 3.917 4.120 -0.000 0.000 0.243 396 V C 1.991 178.109 176.094 0.040 0.000 1.039 396 V CA 1.713 64.028 62.300 0.024 0.000 1.016 396 V CB -0.348 31.485 31.823 0.017 0.000 0.650 396 V HN 0.314 nan 8.190 nan 0.000 0.449 397 E N 0.460 120.691 120.200 0.052 0.000 2.049 397 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 397 E C 2.302 178.990 176.600 0.146 0.000 1.007 397 E CA 1.567 58.025 56.400 0.097 0.000 0.809 397 E CB -0.423 29.336 29.700 0.098 0.000 0.749 397 E HN 0.584 nan 8.360 nan 0.000 0.450 398 A N 1.388 124.261 122.820 0.087 0.000 1.908 398 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 398 A C 2.360 179.997 177.584 0.089 0.000 1.181 398 A CA 1.962 54.039 52.037 0.068 0.000 0.627 398 A CB -0.777 18.237 19.000 0.023 0.000 0.818 398 A HN 0.316 nan 8.150 nan 0.000 0.445 399 A N -0.264 122.593 122.820 0.063 0.000 1.832 399 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 399 A C 2.129 179.747 177.584 0.057 0.000 1.200 399 A CA 1.756 53.823 52.037 0.050 0.000 0.610 399 A CB -0.947 18.071 19.000 0.030 0.000 0.842 399 A HN 0.963 nan 8.150 nan 0.000 0.444 400 L N -0.287 120.963 121.223 0.045 0.000 2.010 400 L HA -0.296 4.044 4.340 -0.000 0.000 0.219 400 L C 2.265 179.142 176.870 0.013 0.000 1.077 400 L CA 2.830 57.677 54.840 0.012 0.000 0.773 400 L CB -1.226 40.824 42.059 -0.015 0.000 0.892 400 L HN 0.578 nan 8.230 nan 0.000 0.436 401 H N -0.145 118.924 119.070 -0.001 0.000 2.355 401 H HA -0.209 4.347 4.556 -0.000 0.000 0.293 401 H C 2.080 177.410 175.328 0.002 0.000 1.060 401 H CA 2.260 58.308 56.048 -0.000 0.000 1.167 401 H CB -0.651 29.112 29.762 0.001 0.000 1.376 401 H HN 0.530 nan 8.280 nan 0.000 0.549 402 A N 0.032 122.956 122.820 0.175 0.000 1.997 402 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 402 A C 2.682 180.300 177.584 0.057 0.000 1.172 402 A CA 2.402 54.494 52.037 0.093 0.000 0.645 402 A CB -1.058 17.979 19.000 0.061 0.000 0.813 402 A HN 0.534 nan 8.150 nan 0.000 0.454 403 T N -0.906 113.675 114.554 0.045 0.000 2.643 403 T HA -0.150 4.200 4.350 -0.000 0.000 0.264 403 T C 2.167 176.874 174.700 0.013 0.000 1.045 403 T CA 1.352 63.465 62.100 0.022 0.000 1.155 403 T CB -0.273 68.602 68.868 0.011 0.000 0.863 403 T HN 0.369 nan 8.240 nan 0.000 0.420 404 R N 1.259 121.760 120.500 0.000 0.000 2.159 404 R HA -0.113 4.227 4.340 -0.000 0.000 0.249 404 R C 2.414 178.717 176.300 0.006 0.000 1.136 404 R CA 1.972 58.064 56.100 -0.012 0.000 0.951 404 R CB -1.221 29.052 30.300 -0.047 0.000 0.876 404 R HN 0.454 nan 8.270 nan 0.000 0.440 405 A N -0.492 122.344 122.820 0.027 0.000 2.216 405 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 405 A C 2.065 179.663 177.584 0.024 0.000 1.160 405 A CA 1.500 53.556 52.037 0.033 0.000 0.725 405 A CB -0.253 18.779 19.000 0.054 0.000 0.784 405 A HN 0.427 nan 8.150 nan 0.000 0.472 406 A N -0.909 121.922 122.820 0.020 0.000 1.924 406 A HA 0.227 4.547 4.320 -0.000 0.000 0.211 406 A C 2.024 179.614 177.584 0.011 0.000 1.198 406 A CA 1.008 53.055 52.037 0.016 0.000 0.657 406 A CB -0.576 18.434 19.000 0.016 0.000 0.852 406 A HN 0.281 nan 8.150 nan 0.000 0.454 407 V N 0.681 120.600 119.914 0.007 0.000 2.324 407 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 407 V C 2.394 178.490 176.094 0.004 0.000 1.060 407 V CA 2.496 64.798 62.300 0.004 0.000 1.042 407 V CB -0.873 30.949 31.823 -0.001 0.000 0.650 407 V HN 0.616 nan 8.190 nan 0.000 0.450 408 E N -0.032 120.171 120.200 0.005 0.000 2.006 408 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 408 E C 1.545 178.148 176.600 0.006 0.000 0.993 408 E CA 1.398 57.801 56.400 0.005 0.000 0.808 408 E CB -0.053 29.651 29.700 0.007 0.000 0.764 408 E HN 0.654 nan 8.360 nan 0.000 0.449 409 E N -0.177 120.028 120.200 0.007 0.000 2.685 409 E HA 0.248 4.598 4.350 -0.000 0.000 0.208 409 E C 0.115 176.719 176.600 0.007 0.000 0.996 409 E CA -0.012 56.392 56.400 0.006 0.000 1.054 409 E CB 1.179 30.882 29.700 0.004 0.000 1.075 409 E HN 0.332 nan 8.360 nan 0.000 0.460 410 G N 1.035 109.840 108.800 0.008 0.000 2.598 410 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 410 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 410 G C -0.212 174.696 174.900 0.012 0.000 1.302 410 G CA -0.294 44.812 45.100 0.009 0.000 0.903 410 G HN 0.639 nan 8.290 nan 0.000 0.575 411 V N -3.179 116.742 119.914 0.013 0.000 3.147 411 V HA 0.975 5.095 4.120 -0.000 0.000 0.306 411 V C -0.140 175.963 176.094 0.016 0.000 1.209 411 V CA 0.386 62.695 62.300 0.015 0.000 1.023 411 V CB 1.461 33.294 31.823 0.015 0.000 1.059 411 V HN 2.638 nan 8.190 nan 0.000 0.435 412 V N 1.936 121.860 119.914 0.017 0.000 3.178 412 V HA 0.895 5.015 4.120 -0.000 0.000 0.302 412 V C 0.474 176.581 176.094 0.022 0.000 1.262 412 V CA -0.257 62.054 62.300 0.019 0.000 1.030 412 V CB 1.847 33.681 31.823 0.018 0.000 1.074 412 V HN 2.695 nan 8.190 nan 0.000 0.438 413 A N 3.599 126.435 122.820 0.026 0.000 2.500 413 A HA 0.397 4.717 4.320 -0.000 0.000 0.286 413 A C 1.078 178.677 177.584 0.025 0.000 1.170 413 A CA 1.114 53.169 52.037 0.029 0.000 0.951 413 A CB -1.357 17.666 19.000 0.039 0.000 0.965 413 A HN 2.112 nan 8.150 nan 0.000 0.551 414 G N 1.453 110.266 108.800 0.021 0.000 2.468 414 G HA2 0.510 4.470 3.960 -0.000 0.000 0.264 414 G HA3 0.510 4.470 3.960 -0.000 0.000 0.264 414 G C 1.259 176.171 174.900 0.019 0.000 1.460 414 G CA -0.049 45.062 45.100 0.018 0.000 1.060 414 G HN 2.227 nan 8.290 nan 0.000 0.543 415 G N -2.186 106.624 108.800 0.017 0.000 2.249 415 G HA2 0.225 4.185 3.960 -0.000 0.000 0.273 415 G HA3 0.225 4.185 3.960 -0.000 0.000 0.273 415 G C 1.511 176.421 174.900 0.017 0.000 1.036 415 G CA 1.171 46.283 45.100 0.020 0.000 0.824 415 G HN 2.482 nan 8.290 nan 0.000 0.504 416 G N -2.794 106.013 108.800 0.011 0.000 2.253 416 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.251 416 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.251 416 G C 1.951 176.855 174.900 0.008 0.000 0.998 416 G CA 1.866 46.969 45.100 0.005 0.000 0.621 416 G HN 2.057 nan 8.290 nan 0.000 0.524 417 V N -0.885 119.038 119.914 0.016 0.000 2.270 417 V HA 0.268 4.388 4.120 -0.000 0.000 0.245 417 V C 3.105 179.213 176.094 0.023 0.000 1.043 417 V CA 2.342 64.655 62.300 0.021 0.000 1.014 417 V CB -1.772 30.067 31.823 0.028 0.000 0.645 417 V HN 1.714 nan 8.190 nan 0.000 0.447 418 A N 1.610 124.444 122.820 0.023 0.000 1.900 418 A HA -0.300 4.020 4.320 -0.000 0.000 0.225 418 A C 2.280 179.875 177.584 0.018 0.000 1.414 418 A CA 3.212 55.262 52.037 0.021 0.000 0.702 418 A CB -1.139 17.871 19.000 0.017 0.000 0.845 418 A HN 0.628 nan 8.150 nan 0.000 0.478 419 L N -0.925 120.306 121.223 0.014 0.000 1.994 419 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 419 L C 2.621 179.499 176.870 0.013 0.000 1.071 419 L CA 1.714 56.561 54.840 0.011 0.000 0.745 419 L CB -0.805 41.258 42.059 0.008 0.000 0.892 419 L HN 0.450 nan 8.230 nan 0.000 0.431 420 I N -0.331 120.247 120.570 0.013 0.000 2.315 420 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 420 I C 2.813 178.943 176.117 0.023 0.000 1.125 420 I CA 0.932 62.241 61.300 0.015 0.000 1.392 420 I CB -0.460 37.549 38.000 0.014 0.000 1.065 420 I HN 0.284 nan 8.210 nan 0.000 0.424 421 R N 1.508 122.025 120.500 0.028 0.000 2.082 421 R HA -0.110 4.230 4.340 -0.000 0.000 0.228 421 R C 2.197 178.512 176.300 0.026 0.000 1.140 421 R CA 1.867 57.988 56.100 0.035 0.000 0.920 421 R CB -1.122 29.202 30.300 0.040 0.000 0.828 421 R HN 0.099 nan 8.270 nan 0.000 0.430 422 V N 1.274 121.200 119.914 0.021 0.000 2.218 422 V HA -0.344 3.776 4.120 -0.000 0.000 0.251 422 V C 2.278 178.380 176.094 0.013 0.000 1.057 422 V CA 2.609 64.918 62.300 0.015 0.000 1.022 422 V CB -1.254 30.576 31.823 0.011 0.000 0.645 422 V HN 0.626 nan 8.190 nan 0.000 0.451 423 A N 0.234 123.061 122.820 0.011 0.000 2.245 423 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 423 A C 2.328 179.919 177.584 0.011 0.000 1.171 423 A CA 2.084 54.126 52.037 0.009 0.000 0.688 423 A CB -0.624 18.381 19.000 0.008 0.000 0.781 423 A HN 0.800 nan 8.150 nan 0.000 0.479 424 S N -1.051 114.658 115.700 0.015 0.000 2.478 424 S HA 0.051 4.521 4.470 -0.000 0.000 0.222 424 S C 1.657 176.266 174.600 0.015 0.000 1.008 424 S CA 0.708 58.918 58.200 0.017 0.000 0.928 424 S CB -0.017 63.197 63.200 0.025 0.000 0.781 424 S HN 0.623 nan 8.310 nan 0.000 0.518 425 K N 1.371 121.780 120.400 0.014 0.000 2.067 425 K HA 0.273 4.593 4.320 -0.000 0.000 0.203 425 K C 1.241 177.845 176.600 0.008 0.000 1.048 425 K CA 0.712 57.005 56.287 0.011 0.000 0.954 425 K CB -0.410 32.097 32.500 0.012 0.000 0.737 425 K HN 0.305 nan 8.250 nan 0.000 0.444 426 L N 1.711 122.939 121.223 0.007 0.000 2.962 426 L HA -0.030 4.310 4.340 -0.000 0.000 0.263 426 L C 1.744 178.617 176.870 0.004 0.000 1.152 426 L CA -0.332 54.511 54.840 0.005 0.000 0.954 426 L CB -0.712 41.349 42.059 0.004 0.000 1.213 426 L HN 0.196 nan 8.230 nan 0.000 0.422 427 A N -0.615 122.208 122.820 0.005 0.000 2.172 427 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 427 A C 1.776 179.362 177.584 0.003 0.000 1.154 427 A CA 1.219 53.258 52.037 0.005 0.000 0.701 427 A CB -0.153 18.850 19.000 0.005 0.000 0.789 427 A HN 0.397 nan 8.150 nan 0.000 0.465 428 D N -1.180 119.222 120.400 0.003 0.000 2.389 428 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 428 D C 0.359 176.660 176.300 0.001 0.000 1.055 428 D CA -0.217 53.784 54.000 0.002 0.000 0.856 428 D CB 0.022 40.823 40.800 0.002 0.000 0.957 428 D HN 0.349 nan 8.370 nan 0.000 0.509 429 L N 2.256 123.480 121.223 0.002 0.000 2.578 429 L HA -0.004 4.336 4.340 -0.000 0.000 0.279 429 L C 0.178 177.048 176.870 0.001 0.000 1.227 429 L CA 0.778 55.618 54.840 0.001 0.000 0.900 429 L CB 0.072 42.132 42.059 0.001 0.000 1.144 429 L HN -0.156 nan 8.230 nan 0.000 0.496 430 R N 3.115 123.615 120.500 0.000 0.000 2.817 430 R HA 0.713 5.053 4.340 -0.000 0.000 0.268 430 R C -0.249 176.051 176.300 -0.001 0.000 1.027 430 R CA -0.333 55.767 56.100 -0.000 0.000 0.928 430 R CB 1.466 31.766 30.300 -0.000 0.000 1.228 430 R HN 0.795 nan 8.270 nan 0.000 0.469 431 G N -0.356 108.444 108.800 -0.001 0.000 3.212 431 G HA2 0.220 4.180 3.960 -0.000 0.000 0.188 431 G HA3 0.220 4.180 3.960 -0.000 0.000 0.188 431 G C 0.032 174.931 174.900 -0.001 0.000 1.254 431 G CA -0.183 44.916 45.100 -0.001 0.000 0.957 431 G HN 0.412 nan 8.290 nan 0.000 0.596 432 Q N -0.373 119.426 119.800 -0.001 0.000 2.250 432 Q HA 0.111 4.451 4.340 -0.000 0.000 0.200 432 Q C -0.086 175.913 176.000 -0.002 0.000 0.941 432 Q CA 0.676 56.478 55.803 -0.002 0.000 0.872 432 Q CB 0.145 28.881 28.738 -0.002 0.000 0.965 432 Q HN 0.587 nan 8.270 nan 0.000 0.480 433 N N -1.483 117.216 118.700 -0.002 0.000 2.321 433 N HA 0.404 5.144 4.740 -0.000 0.000 0.290 433 N C -0.031 175.478 175.510 -0.001 0.000 1.212 433 N CA -0.032 53.017 53.050 -0.002 0.000 0.767 433 N CB 0.712 39.198 38.487 -0.002 0.000 1.494 433 N HN -0.075 nan 8.380 nan 0.000 0.479 434 A N 0.437 123.256 122.820 -0.001 0.000 1.903 434 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 434 A C 1.017 178.601 177.584 -0.001 0.000 1.191 434 A CA 2.053 54.089 52.037 -0.001 0.000 0.638 434 A CB -1.014 17.985 19.000 -0.001 0.000 0.823 434 A HN 0.757 nan 8.150 nan 0.000 0.451 435 D N -1.160 119.239 120.400 -0.001 0.000 2.411 435 D HA -0.062 4.578 4.640 -0.000 0.000 0.226 435 D C 1.637 177.936 176.300 -0.001 0.000 0.988 435 D CA 0.995 54.994 54.000 -0.001 0.000 0.938 435 D CB -0.030 40.769 40.800 -0.002 0.000 0.883 435 D HN 0.735 nan 8.370 nan 0.000 0.525 436 Q N -1.037 118.762 119.800 -0.001 0.000 2.404 436 Q HA 0.093 4.433 4.340 -0.000 0.000 0.262 436 Q C 1.415 177.415 176.000 -0.001 0.000 0.846 436 Q CA -0.240 55.562 55.803 -0.001 0.000 0.978 436 Q CB 0.533 29.270 28.738 -0.001 0.000 1.156 436 Q HN 0.024 nan 8.270 nan 0.000 0.548 437 N N 0.214 118.914 118.700 -0.001 0.000 2.166 437 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 437 N C 1.672 177.182 175.510 0.000 0.000 1.019 437 N CA 1.088 54.138 53.050 -0.000 0.000 0.856 437 N CB 0.020 38.507 38.487 -0.000 0.000 0.993 437 N HN 0.049 nan 8.380 nan 0.000 0.426 438 V N 0.704 120.618 119.914 -0.000 0.000 2.548 438 V HA -0.069 4.051 4.120 -0.000 0.000 0.249 438 V C 2.308 178.402 176.094 0.000 0.000 1.055 438 V CA 1.720 64.020 62.300 0.000 0.000 1.065 438 V CB -0.999 30.823 31.823 0.000 0.000 0.681 438 V HN 0.319 nan 8.190 nan 0.000 0.462 439 G N -0.501 108.300 108.800 0.000 0.000 2.535 439 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G C 1.392 176.292 174.900 0.001 0.000 1.122 439 G CA 0.769 45.870 45.100 0.001 0.000 0.769 439 G HN 0.513 nan 8.290 nan 0.000 0.549 440 I N -0.544 120.026 120.570 0.001 0.000 2.726 440 I HA 0.052 4.222 4.170 -0.000 0.000 0.243 440 I C 2.400 178.518 176.117 0.001 0.000 1.082 440 I CA 0.171 61.471 61.300 0.001 0.000 1.447 440 I CB -0.122 37.878 38.000 0.001 0.000 1.250 440 I HN -0.163 nan 8.210 nan 0.000 0.453 441 K N 1.034 121.435 120.400 0.001 0.000 2.127 441 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 441 K C 2.076 178.677 176.600 0.002 0.000 1.050 441 K CA 1.231 57.519 56.287 0.001 0.000 0.929 441 K CB -1.019 31.482 32.500 0.001 0.000 0.715 441 K HN 0.192 nan 8.250 nan 0.000 0.457 442 V N 1.242 121.157 119.914 0.002 0.000 2.255 442 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 442 V C 2.402 178.497 176.094 0.002 0.000 1.051 442 V CA 2.076 64.377 62.300 0.002 0.000 1.018 442 V CB -0.726 31.098 31.823 0.002 0.000 0.641 442 V HN 0.378 nan 8.190 nan 0.000 0.445 443 A N -0.950 121.871 122.820 0.002 0.000 2.070 443 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 443 A C 2.128 179.714 177.584 0.003 0.000 1.159 443 A CA 1.481 53.520 52.037 0.003 0.000 0.656 443 A CB -0.351 18.651 19.000 0.002 0.000 0.800 443 A HN 0.542 nan 8.150 nan 0.000 0.453 444 L N -1.613 119.611 121.223 0.002 0.000 2.071 444 L HA -0.000 4.340 4.340 -0.000 0.000 0.201 444 L C 2.623 179.494 176.870 0.003 0.000 1.076 444 L CA 1.192 56.033 54.840 0.003 0.000 0.755 444 L CB -0.563 41.498 42.059 0.003 0.000 0.915 444 L HN 0.372 nan 8.230 nan 0.000 0.445 445 R N 0.929 121.430 120.500 0.002 0.000 2.261 445 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 445 R C 1.655 177.955 176.300 -0.000 0.000 1.141 445 R CA 1.290 57.391 56.100 0.001 0.000 1.001 445 R CB -0.085 30.215 30.300 0.000 0.000 0.866 445 R HN 0.375 nan 8.270 nan 0.000 0.468 446 A N -0.399 122.422 122.820 0.001 0.000 2.307 446 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 446 A C 1.438 179.023 177.584 0.002 0.000 1.228 446 A CA -0.059 51.979 52.037 0.001 0.000 0.857 446 A CB 0.078 19.080 19.000 0.003 0.000 0.897 446 A HN 0.320 nan 8.150 nan 0.000 0.495 447 M N -1.461 118.140 119.600 0.002 0.000 2.461 447 M HA 0.124 4.604 4.480 -0.000 0.000 0.255 447 M C 1.055 177.355 176.300 -0.000 0.000 1.137 447 M CA 0.409 55.711 55.300 0.002 0.000 1.086 447 M CB 0.191 32.793 32.600 0.004 0.000 1.356 447 M HN 0.331 nan 8.290 nan 0.000 0.487 448 E N 1.106 121.304 120.200 -0.002 0.000 2.511 448 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 448 E C 1.748 178.341 176.600 -0.013 0.000 1.066 448 E CA 0.208 56.604 56.400 -0.007 0.000 0.871 448 E CB 0.150 29.846 29.700 -0.007 0.000 0.863 448 E HN 0.458 nan 8.360 nan 0.000 0.520 449 A N 2.105 124.920 122.820 -0.009 0.000 1.826 449 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 449 A C -0.377 177.198 177.584 -0.015 0.000 1.212 449 A CA 0.723 52.753 52.037 -0.011 0.000 0.605 449 A CB -1.474 17.523 19.000 -0.006 0.000 0.861 449 A HN 0.080 nan 8.150 nan 0.000 0.447 450 P HA -0.216 nan 4.420 nan 0.000 0.219 450 P C 1.662 178.950 177.300 -0.021 0.000 1.158 450 P CA 1.462 64.556 63.100 -0.010 0.000 0.895 450 P CB -0.069 31.630 31.700 -0.003 0.000 0.792 451 L N -0.721 120.487 121.223 -0.026 0.000 1.961 451 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 451 L C 2.404 179.233 176.870 -0.068 0.000 1.075 451 L CA 1.745 56.557 54.840 -0.046 0.000 0.749 451 L CB -0.917 41.114 42.059 -0.047 0.000 0.890 451 L HN -0.290 nan 8.230 nan 0.000 0.433 452 R N -0.985 119.479 120.500 -0.062 0.000 2.257 452 R HA -0.309 4.031 4.340 -0.000 0.000 0.265 452 R C 2.235 178.498 176.300 -0.062 0.000 1.191 452 R CA 1.918 57.978 56.100 -0.066 0.000 1.010 452 R CB -0.331 29.944 30.300 -0.042 0.000 0.883 452 R HN 0.493 nan 8.270 nan 0.000 0.473 453 Q N 0.504 120.275 119.800 -0.048 0.000 2.013 453 Q HA 0.003 4.343 4.340 -0.000 0.000 0.195 453 Q C 1.890 177.863 176.000 -0.045 0.000 0.974 453 Q CA 1.373 57.153 55.803 -0.039 0.000 0.826 453 Q CB -0.044 28.679 28.738 -0.025 0.000 0.895 453 Q HN 0.330 nan 8.270 nan 0.000 0.448 454 I N 0.000 120.545 120.570 -0.043 0.000 2.315 454 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 454 I C 1.914 177.993 176.117 -0.063 0.000 1.125 454 I CA 0.868 62.146 61.300 -0.037 0.000 1.392 454 I CB -0.571 37.416 38.000 -0.022 0.000 1.065 454 I HN 0.020 nan 8.210 nan 0.000 0.424 455 V N 0.880 120.722 119.914 -0.120 0.000 2.913 455 V HA -0.195 3.925 4.120 -0.000 0.000 0.260 455 V C 2.187 178.214 176.094 -0.112 0.000 1.098 455 V CA 1.286 63.471 62.300 -0.192 0.000 1.121 455 V CB -0.319 31.333 31.823 -0.285 0.000 0.714 455 V HN 0.369 nan 8.190 nan 0.000 0.487 456 L N 0.115 121.295 121.223 -0.072 0.000 2.354 456 L HA 0.198 4.538 4.340 -0.000 0.000 0.212 456 L C 1.786 178.639 176.870 -0.030 0.000 1.091 456 L CA 1.287 56.099 54.840 -0.046 0.000 0.828 456 L CB -0.435 41.601 42.059 -0.038 0.000 0.973 456 L HN 0.253 nan 8.230 nan 0.000 0.461 457 N N -1.247 117.438 118.700 -0.026 0.000 2.567 457 N HA -0.045 4.695 4.740 -0.000 0.000 0.195 457 N C 0.586 176.092 175.510 -0.007 0.000 1.242 457 N CA 0.654 53.696 53.050 -0.014 0.000 0.884 457 N CB -0.342 38.138 38.487 -0.010 0.000 1.007 457 N HN 0.370 nan 8.380 nan 0.000 0.450 458 C N -1.538 117.756 119.300 -0.010 0.000 3.386 458 C HA 0.394 4.854 4.460 -0.000 0.000 0.279 458 C C 1.639 176.630 174.990 0.001 0.000 1.508 458 C CA -0.370 58.651 59.018 0.004 0.000 1.801 458 C CB -0.435 27.319 27.740 0.022 0.000 2.798 458 C HN 0.476 nan 8.230 nan 0.000 0.605 459 G N 1.767 110.561 108.800 -0.009 0.000 2.200 459 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G C -0.224 174.671 174.900 -0.008 0.000 0.993 459 G CA 0.586 45.682 45.100 -0.007 0.000 0.701 459 G HN 0.577 nan 8.290 nan 0.000 0.524 460 E N 0.999 121.188 120.200 -0.019 0.000 2.174 460 E HA 0.277 4.627 4.350 -0.000 0.000 0.282 460 E C 0.454 177.025 176.600 -0.048 0.000 0.992 460 E CA -0.518 55.868 56.400 -0.022 0.000 0.803 460 E CB 0.743 30.430 29.700 -0.022 0.000 1.090 460 E HN 0.577 nan 8.360 nan 0.000 0.396 461 E N 4.289 124.473 120.200 -0.028 0.000 2.757 461 E HA -0.099 4.251 4.350 -0.000 0.000 0.238 461 E C -1.556 175.010 176.600 -0.057 0.000 1.057 461 E CA -0.814 55.568 56.400 -0.030 0.000 0.952 461 E CB 0.227 29.921 29.700 -0.009 0.000 0.934 461 E HN 0.213 nan 8.360 nan 0.000 0.518 462 P HA -0.146 nan 4.420 nan 0.000 0.217 462 P C 1.043 178.307 177.300 -0.059 0.000 1.151 462 P CA 0.832 63.878 63.100 -0.090 0.000 0.828 462 P CB 0.302 31.957 31.700 -0.074 0.000 0.788 463 S N -0.307 115.371 115.700 -0.036 0.000 2.390 463 S HA -0.186 4.284 4.470 -0.000 0.000 0.234 463 S C 1.926 176.518 174.600 -0.012 0.000 1.063 463 S CA 1.914 60.103 58.200 -0.019 0.000 1.108 463 S CB -1.607 61.587 63.200 -0.011 0.000 0.975 463 S HN -0.004 nan 8.310 nan 0.000 0.442 464 V N 1.184 121.093 119.914 -0.008 0.000 2.278 464 V HA -0.073 4.047 4.120 -0.000 0.000 0.238 464 V C 2.352 178.461 176.094 0.025 0.000 1.039 464 V CA 1.223 63.533 62.300 0.016 0.000 1.017 464 V CB -0.986 30.859 31.823 0.037 0.000 0.657 464 V HN 0.362 nan 8.190 nan 0.000 0.462 465 V N 0.753 120.666 119.914 -0.000 0.000 2.357 465 V HA -0.395 3.725 4.120 -0.000 0.000 0.257 465 V C 2.617 178.712 176.094 0.001 0.000 1.082 465 V CA 2.478 64.767 62.300 -0.019 0.000 1.078 465 V CB -1.330 30.262 31.823 -0.386 0.000 0.663 465 V HN 0.591 nan 8.190 nan 0.000 0.455 466 A N 0.250 123.049 122.820 -0.036 0.000 1.832 466 A HA -0.241 4.079 4.320 -0.000 0.000 0.214 466 A C 2.056 179.649 177.584 0.014 0.000 1.204 466 A CA 1.895 53.921 52.037 -0.018 0.000 0.606 466 A CB -0.910 18.073 19.000 -0.028 0.000 0.849 466 A HN 0.610 nan 8.150 nan 0.000 0.445 467 N N -0.539 118.168 118.700 0.013 0.000 2.096 467 N HA -0.191 4.549 4.740 -0.000 0.000 0.195 467 N C 1.589 177.116 175.510 0.030 0.000 1.017 467 N CA 2.730 55.792 53.050 0.019 0.000 0.870 467 N CB -0.509 37.987 38.487 0.015 0.000 1.024 467 N HN 0.389 nan 8.380 nan 0.000 0.434 468 T N -0.867 113.709 114.554 0.037 0.000 2.857 468 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 468 T C 1.826 176.553 174.700 0.045 0.000 1.048 468 T CA 1.037 63.149 62.100 0.019 0.000 1.139 468 T CB -0.201 68.646 68.868 -0.036 0.000 0.874 468 T HN 0.068 nan 8.240 nan 0.000 0.455 469 V N 1.399 121.345 119.914 0.054 0.000 2.515 469 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 469 V C 2.383 178.533 176.094 0.093 0.000 1.058 469 V CA 1.428 63.748 62.300 0.033 0.000 1.064 469 V CB -0.427 31.412 31.823 0.028 0.000 0.675 469 V HN 0.451 nan 8.190 nan 0.000 0.461 470 K N 0.461 120.901 120.400 0.068 0.000 2.031 470 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 470 K C 1.994 178.637 176.600 0.072 0.000 1.049 470 K CA 1.232 57.556 56.287 0.062 0.000 0.939 470 K CB -0.573 31.949 32.500 0.037 0.000 0.717 470 K HN 0.528 nan 8.250 nan 0.000 0.438 471 G N 0.720 109.561 108.800 0.068 0.000 2.959 471 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.203 471 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.203 471 G C 0.429 175.363 174.900 0.057 0.000 1.176 471 G CA 0.629 45.759 45.100 0.051 0.000 0.860 471 G HN 0.370 nan 8.290 nan 0.000 0.507 472 G N -0.460 108.404 108.800 0.106 0.000 3.291 472 G HA2 0.620 4.580 3.960 -0.000 0.000 0.173 472 G HA3 0.620 4.580 3.960 -0.000 0.000 0.173 472 G C -1.275 173.668 174.900 0.072 0.000 1.099 472 G CA 0.144 45.286 45.100 0.070 0.000 0.794 472 G HN 0.407 nan 8.290 nan 0.000 0.651 473 D N -3.093 117.363 120.400 0.094 0.000 2.913 473 D HA 0.522 5.162 4.640 -0.000 0.000 0.293 473 D C 0.396 176.752 176.300 0.092 0.000 1.238 473 D CA 0.691 54.737 54.000 0.077 0.000 0.738 473 D CB 0.352 41.169 40.800 0.028 0.000 1.254 473 D HN 1.968 nan 8.370 nan 0.000 0.429 474 G N 0.172 109.016 108.800 0.074 0.000 2.542 474 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.235 474 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.235 474 G C -0.156 174.806 174.900 0.103 0.000 1.286 474 G CA 0.057 45.201 45.100 0.073 0.000 0.904 474 G HN 0.788 nan 8.290 nan 0.000 0.577 475 N N -0.038 118.726 118.700 0.107 0.000 2.313 475 N HA 0.175 4.915 4.740 -0.000 0.000 0.207 475 N C 0.112 175.719 175.510 0.162 0.000 1.141 475 N CA -0.170 52.944 53.050 0.107 0.000 0.830 475 N CB 0.173 38.706 38.487 0.076 0.000 1.008 475 N HN 0.484 nan 8.380 nan 0.000 0.481 476 Y N 1.513 121.842 120.300 0.048 0.000 2.605 476 Y HA 0.267 4.817 4.550 -0.000 0.000 0.336 476 Y C 0.587 176.552 175.900 0.108 0.000 1.111 476 Y CA -0.183 57.959 58.100 0.069 0.000 1.422 476 Y CB -0.015 38.474 38.460 0.048 0.000 1.193 476 Y HN -0.031 nan 8.280 nan 0.000 0.526 477 G N 4.603 113.313 108.800 -0.151 0.000 3.243 477 G HA2 0.315 4.275 3.960 -0.000 0.000 0.248 477 G HA3 0.315 4.275 3.960 -0.000 0.000 0.248 477 G C -2.217 172.642 174.900 -0.069 0.000 1.267 477 G CA -0.887 44.133 45.100 -0.134 0.000 0.906 477 G HN 0.595 nan 8.290 nan 0.000 0.592 478 Y N 0.921 121.133 120.300 -0.147 0.000 2.338 478 Y HA 0.544 5.094 4.550 -0.000 0.000 0.333 478 Y C -0.534 175.235 175.900 -0.218 0.000 0.968 478 Y CA -1.193 56.730 58.100 -0.296 0.000 1.123 478 Y CB 1.745 39.987 38.460 -0.363 0.000 1.165 478 Y HN 0.439 nan 8.280 nan 0.000 0.452 479 N N 4.543 122.960 118.700 -0.473 0.000 2.411 479 N HA 0.190 4.930 4.740 -0.000 0.000 0.259 479 N C 0.574 175.888 175.510 -0.327 0.000 1.103 479 N CA 0.773 53.652 53.050 -0.284 0.000 0.954 479 N CB 1.765 40.096 38.487 -0.259 0.000 1.085 479 N HN 0.983 nan 8.380 nan 0.000 0.485 480 A N 4.630 127.464 122.820 0.024 0.000 1.865 480 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 480 A C 2.078 179.671 177.584 0.015 0.000 1.191 480 A CA 2.089 54.216 52.037 0.151 0.000 0.623 480 A CB -1.054 18.008 19.000 0.104 0.000 0.826 480 A HN 0.759 nan 8.150 nan 0.000 0.444 481 A N -0.498 122.300 122.820 -0.035 0.000 1.851 481 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 481 A C 2.483 180.015 177.584 -0.087 0.000 1.195 481 A CA 2.930 54.939 52.037 -0.047 0.000 0.622 481 A CB -1.523 17.454 19.000 -0.039 0.000 0.831 481 A HN 0.909 nan 8.150 nan 0.000 0.444 482 T N -3.436 111.033 114.554 -0.141 0.000 3.055 482 T HA 0.026 4.376 4.350 -0.000 0.000 0.265 482 T C 0.538 175.104 174.700 -0.224 0.000 1.111 482 T CA 1.114 63.120 62.100 -0.158 0.000 1.118 482 T CB -0.405 68.371 68.868 -0.153 0.000 0.909 482 T HN 0.600 nan 8.240 nan 0.000 0.501 483 E N 0.491 120.472 120.200 -0.366 0.000 2.971 483 E HA -0.130 4.219 4.350 -0.000 0.000 0.278 483 E C -0.771 175.475 176.600 -0.590 0.000 1.009 483 E CA 0.786 56.905 56.400 -0.469 0.000 0.862 483 E CB -1.146 28.467 29.700 -0.147 0.000 1.436 483 E HN 0.692 nan 8.360 nan 0.000 0.434 484 E N -0.452 119.356 120.200 -0.652 0.000 2.317 484 E HA 0.400 4.750 4.350 -0.000 0.000 0.270 484 E C -0.226 176.068 176.600 -0.510 0.000 0.885 484 E CA -0.630 55.505 56.400 -0.441 0.000 0.760 484 E CB 0.996 30.592 29.700 -0.174 0.000 1.227 484 E HN -0.017 nan 8.360 nan 0.000 0.434 485 Y N 0.457 120.643 120.300 -0.189 0.000 2.314 485 Y HA 0.578 5.128 4.550 -0.000 0.000 0.359 485 Y C 1.501 177.392 175.900 -0.015 0.000 1.360 485 Y CA 0.759 58.778 58.100 -0.136 0.000 1.697 485 Y CB 0.532 38.949 38.460 -0.072 0.000 1.630 485 Y HN 0.726 nan 8.280 nan 0.000 0.583 486 G N -0.296 108.672 108.800 0.279 0.000 2.302 486 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.276 486 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.276 486 G C -1.602 173.445 174.900 0.245 0.000 1.316 486 G CA -1.022 44.250 45.100 0.288 0.000 0.988 486 G HN 0.642 nan 8.290 nan 0.000 0.479 487 N N 1.326 120.129 118.700 0.171 0.000 2.399 487 N HA 0.129 4.869 4.740 -0.000 0.000 0.259 487 N C 1.928 177.483 175.510 0.076 0.000 1.160 487 N CA -0.410 52.717 53.050 0.129 0.000 0.946 487 N CB 0.525 39.068 38.487 0.092 0.000 1.156 487 N HN 0.441 nan 8.380 nan 0.000 0.489 488 M N 3.318 122.958 119.600 0.067 0.000 2.267 488 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 488 M C 1.459 177.777 176.300 0.030 0.000 1.063 488 M CA 0.981 56.303 55.300 0.036 0.000 1.090 488 M CB -0.452 32.169 32.600 0.034 0.000 1.392 488 M HN 0.540 nan 8.290 nan 0.000 0.422 489 I N 0.139 120.731 120.570 0.037 0.000 2.333 489 I HA -0.201 3.969 4.170 -0.000 0.000 0.246 489 I C 1.887 178.018 176.117 0.023 0.000 1.106 489 I CA 1.195 62.512 61.300 0.028 0.000 1.411 489 I CB -1.285 36.733 38.000 0.030 0.000 1.082 489 I HN 0.214 nan 8.210 nan 0.000 0.420 490 D N 0.845 121.262 120.400 0.028 0.000 2.117 490 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 490 D C 2.186 178.496 176.300 0.015 0.000 0.987 490 D CA 1.105 55.118 54.000 0.022 0.000 0.829 490 D CB -0.146 40.670 40.800 0.027 0.000 0.961 490 D HN 0.283 nan 8.370 nan 0.000 0.460 491 M N -0.315 119.294 119.600 0.015 0.000 2.700 491 M HA 0.041 4.521 4.480 -0.000 0.000 0.249 491 M C 1.043 177.343 176.300 -0.000 0.000 1.082 491 M CA 0.761 56.062 55.300 0.003 0.000 1.077 491 M CB -0.046 32.551 32.600 -0.006 0.000 1.477 491 M HN 0.086 nan 8.290 nan 0.000 0.529 492 G N 1.991 110.795 108.800 0.006 0.000 2.160 492 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 492 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 492 G C 0.010 174.913 174.900 0.005 0.000 1.008 492 G CA -0.157 44.946 45.100 0.005 0.000 0.724 492 G HN 0.538 nan 8.290 nan 0.000 0.514 493 I N 0.788 121.362 120.570 0.006 0.000 2.371 493 I HA 0.579 4.749 4.170 -0.000 0.000 0.282 493 I C 0.140 176.265 176.117 0.013 0.000 1.031 493 I CA -0.847 60.458 61.300 0.007 0.000 1.180 493 I CB 0.638 38.640 38.000 0.004 0.000 1.336 493 I HN 0.261 nan 8.210 nan 0.000 0.467 494 L N 3.797 125.028 121.223 0.013 0.000 2.710 494 L HA 0.698 5.038 4.340 -0.000 0.000 0.260 494 L C -1.741 175.138 176.870 0.016 0.000 0.993 494 L CA -0.815 54.035 54.840 0.016 0.000 0.877 494 L CB 1.738 43.807 42.059 0.017 0.000 1.461 494 L HN 0.115 nan 8.230 nan 0.000 0.413 495 D N -0.244 120.166 120.400 0.017 0.000 2.575 495 D HA 0.523 5.163 4.640 -0.000 0.000 0.236 495 D C -2.819 173.492 176.300 0.018 0.000 1.075 495 D CA -1.278 52.733 54.000 0.017 0.000 0.860 495 D CB 2.197 43.007 40.800 0.017 0.000 1.475 495 D HN 0.351 nan 8.370 nan 0.000 0.474 496 P HA -0.005 nan 4.420 nan 0.000 0.267 496 P C 0.887 178.197 177.300 0.018 0.000 1.201 496 P CA 0.162 63.275 63.100 0.021 0.000 0.775 496 P CB 0.609 32.326 31.700 0.027 0.000 0.854 497 T N 1.114 115.676 114.554 0.014 0.000 2.777 497 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 497 T C 1.641 176.345 174.700 0.008 0.000 1.040 497 T CA 1.111 63.217 62.100 0.010 0.000 1.141 497 T CB -0.386 68.486 68.868 0.007 0.000 0.868 497 T HN 0.482 nan 8.240 nan 0.000 0.444 498 K N 0.890 121.296 120.400 0.010 0.000 2.049 498 K HA -0.232 4.088 4.320 -0.000 0.000 0.219 498 K C 2.395 179.001 176.600 0.010 0.000 1.056 498 K CA 2.245 58.537 56.287 0.009 0.000 0.946 498 K CB -0.642 31.869 32.500 0.020 0.000 0.723 498 K HN 0.318 nan 8.250 nan 0.000 0.453 499 V N -0.265 119.662 119.914 0.021 0.000 2.261 499 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 499 V C 1.769 177.875 176.094 0.019 0.000 1.047 499 V CA 2.560 64.876 62.300 0.027 0.000 1.015 499 V CB -1.076 30.766 31.823 0.031 0.000 0.642 499 V HN 0.425 nan 8.190 nan 0.000 0.446 500 T N 0.096 114.659 114.554 0.014 0.000 2.946 500 T HA -0.148 4.202 4.350 -0.000 0.000 0.271 500 T C 1.775 176.475 174.700 0.001 0.000 1.104 500 T CA 1.963 64.069 62.100 0.010 0.000 1.114 500 T CB -0.383 68.491 68.868 0.010 0.000 0.867 500 T HN 0.698 nan 8.240 nan 0.000 0.513 501 R N 0.837 121.332 120.500 -0.009 0.000 2.046 501 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 501 R C 2.625 178.892 176.300 -0.055 0.000 1.179 501 R CA 1.213 57.294 56.100 -0.031 0.000 0.952 501 R CB -0.506 29.771 30.300 -0.038 0.000 0.843 501 R HN 0.142 nan 8.270 nan 0.000 0.439 502 S N 0.982 116.644 115.700 -0.064 0.000 2.393 502 S HA -0.319 4.151 4.470 -0.000 0.000 0.235 502 S C 2.052 176.640 174.600 -0.019 0.000 1.061 502 S CA 1.845 59.980 58.200 -0.108 0.000 1.129 502 S CB -0.662 62.548 63.200 0.017 0.000 1.011 502 S HN 0.616 nan 8.310 nan 0.000 0.436 503 A N 0.836 123.688 122.820 0.053 0.000 1.917 503 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 503 A C 2.151 179.765 177.584 0.050 0.000 1.182 503 A CA 1.860 53.945 52.037 0.080 0.000 0.633 503 A CB -0.710 18.322 19.000 0.054 0.000 0.819 503 A HN 0.444 nan 8.150 nan 0.000 0.448 504 L N -0.417 120.811 121.223 0.009 0.000 2.141 504 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 504 L C 2.394 179.257 176.870 -0.012 0.000 1.094 504 L CA 2.070 56.910 54.840 0.001 0.000 0.763 504 L CB -0.549 41.505 42.059 -0.009 0.000 0.908 504 L HN 0.519 nan 8.230 nan 0.000 0.437 505 Q N -1.751 118.012 119.800 -0.063 0.000 2.008 505 Q HA -0.164 4.176 4.340 -0.000 0.000 0.196 505 Q C 2.193 178.173 176.000 -0.033 0.000 0.973 505 Q CA 1.633 57.373 55.803 -0.103 0.000 0.826 505 Q CB -0.473 28.122 28.738 -0.239 0.000 0.894 505 Q HN 0.422 nan 8.270 nan 0.000 0.439 506 Y N 1.044 121.346 120.300 0.003 0.000 2.193 506 Y HA -0.255 4.295 4.550 -0.000 0.000 0.285 506 Y C 2.447 178.348 175.900 0.001 0.000 1.166 506 Y CA 0.968 59.069 58.100 0.002 0.000 1.181 506 Y CB -0.949 37.512 38.460 0.002 0.000 0.976 506 Y HN 0.185 nan 8.280 nan 0.000 0.520 507 A N -0.028 122.888 122.820 0.161 0.000 1.883 507 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 507 A C 2.544 180.167 177.584 0.066 0.000 1.186 507 A CA 2.142 54.233 52.037 0.089 0.000 0.624 507 A CB -1.304 17.732 19.000 0.059 0.000 0.822 507 A HN 0.403 nan 8.150 nan 0.000 0.444 508 A N -0.648 122.203 122.820 0.052 0.000 1.883 508 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 508 A C 2.461 180.070 177.584 0.043 0.000 1.186 508 A CA 2.410 54.467 52.037 0.033 0.000 0.624 508 A CB -1.251 17.758 19.000 0.015 0.000 0.822 508 A HN 0.686 nan 8.150 nan 0.000 0.444 509 S N -0.624 115.115 115.700 0.065 0.000 2.427 509 S HA -0.220 4.250 4.470 -0.000 0.000 0.231 509 S C 1.905 176.538 174.600 0.056 0.000 1.045 509 S CA 2.364 60.608 58.200 0.073 0.000 1.154 509 S CB -0.933 62.349 63.200 0.137 0.000 1.093 509 S HN 0.402 nan 8.310 nan 0.000 0.422 510 V N 2.839 122.790 119.914 0.062 0.000 2.215 510 V HA -0.285 3.834 4.120 -0.000 0.000 0.249 510 V C 2.934 179.044 176.094 0.026 0.000 1.054 510 V CA 2.425 64.748 62.300 0.038 0.000 1.012 510 V CB -1.699 30.143 31.823 0.032 0.000 0.639 510 V HN 0.745 nan 8.190 nan 0.000 0.448 511 A N 0.199 123.035 122.820 0.026 0.000 1.929 511 A HA -0.289 4.031 4.320 -0.000 0.000 0.221 511 A C 2.364 179.957 177.584 0.014 0.000 1.211 511 A CA 2.732 54.779 52.037 0.018 0.000 0.657 511 A CB -1.554 17.456 19.000 0.018 0.000 0.827 511 A HN 0.661 nan 8.150 nan 0.000 0.462 512 G N -0.175 108.636 108.800 0.017 0.000 2.587 512 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 512 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 512 G C 1.519 176.425 174.900 0.010 0.000 1.240 512 G CA 1.229 46.336 45.100 0.013 0.000 0.794 512 G HN 0.505 nan 8.290 nan 0.000 0.580 513 L N -0.223 121.008 121.223 0.013 0.000 2.054 513 L HA -0.268 4.072 4.340 -0.000 0.000 0.220 513 L C 3.150 180.022 176.870 0.005 0.000 1.081 513 L CA 1.922 56.768 54.840 0.010 0.000 0.780 513 L CB -0.590 41.476 42.059 0.013 0.000 0.893 513 L HN 0.273 nan 8.230 nan 0.000 0.438 514 M N -0.584 119.019 119.600 0.004 0.000 2.159 514 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 514 M C 2.214 178.513 176.300 -0.002 0.000 1.063 514 M CA 1.726 57.025 55.300 -0.001 0.000 1.110 514 M CB -0.322 32.278 32.600 -0.000 0.000 1.374 514 M HN 0.237 nan 8.290 nan 0.000 0.411 515 I N -0.418 120.153 120.570 0.001 0.000 2.830 515 I HA -0.138 4.032 4.170 -0.000 0.000 0.263 515 I C 1.292 177.408 176.117 -0.002 0.000 1.230 515 I CA 0.965 62.265 61.300 -0.000 0.000 1.480 515 I CB -0.546 37.455 38.000 0.002 0.000 1.095 515 I HN 0.318 nan 8.210 nan 0.000 0.455 516 T N -2.426 112.127 114.554 -0.001 0.000 3.268 516 T HA 0.288 4.638 4.350 -0.000 0.000 0.258 516 T C 0.181 174.879 174.700 -0.003 0.000 0.966 516 T CA -0.410 61.688 62.100 -0.003 0.000 0.952 516 T CB -0.202 68.665 68.868 -0.001 0.000 1.132 516 T HN -0.105 nan 8.240 nan 0.000 0.536 517 T N 1.400 115.951 114.554 -0.004 0.000 2.841 517 T HA 0.468 4.818 4.350 -0.000 0.000 0.283 517 T C 0.248 174.949 174.700 0.001 0.000 1.000 517 T CA -0.652 61.446 62.100 -0.003 0.000 0.977 517 T CB 2.169 71.031 68.868 -0.010 0.000 0.979 517 T HN 0.097 nan 8.240 nan 0.000 0.446 518 E N 0.299 120.507 120.200 0.013 0.000 2.541 518 E HA 0.189 4.539 4.350 -0.000 0.000 0.219 518 E C -0.079 176.598 176.600 0.129 0.000 0.922 518 E CA 0.098 56.519 56.400 0.035 0.000 1.095 518 E CB 0.952 30.645 29.700 -0.011 0.000 1.112 518 E HN 0.553 nan 8.360 nan 0.000 0.516 519 C N 1.054 120.427 119.300 0.121 0.000 2.686 519 C HA 0.686 5.146 4.460 -0.000 0.000 0.318 519 C C -1.245 173.771 174.990 0.042 0.000 1.160 519 C CA -0.571 58.587 59.018 0.233 0.000 1.396 519 C CB 0.312 28.264 27.740 0.354 0.000 1.924 519 C HN 0.107 nan 8.230 nan 0.000 0.471 520 M N 5.386 124.930 119.600 -0.094 0.000 2.326 520 M HA 0.550 5.030 4.480 -0.000 0.000 0.306 520 M C -1.147 175.087 176.300 -0.109 0.000 1.054 520 M CA -0.625 54.565 55.300 -0.183 0.000 0.922 520 M CB 2.125 34.434 32.600 -0.485 0.000 1.632 520 M HN 0.366 nan 8.290 nan 0.000 0.436 521 V N 1.813 121.742 119.914 0.025 0.000 2.357 521 V HA 0.494 4.614 4.120 -0.000 0.000 0.281 521 V C -0.337 175.843 176.094 0.144 0.000 1.015 521 V CA -0.297 62.058 62.300 0.092 0.000 0.827 521 V CB 1.732 33.595 31.823 0.066 0.000 1.018 521 V HN 0.970 nan 8.190 nan 0.000 0.432 522 T N 2.445 117.130 114.554 0.219 0.000 2.907 522 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 522 T C -0.505 174.216 174.700 0.036 0.000 1.066 522 T CA -0.476 61.704 62.100 0.133 0.000 1.012 522 T CB 1.782 70.744 68.868 0.156 0.000 1.184 522 T HN 0.627 nan 8.240 nan 0.000 0.522 523 D N 0.925 121.323 120.400 -0.004 0.000 2.354 523 D HA 0.308 4.948 4.640 -0.000 0.000 0.238 523 D C -0.285 175.973 176.300 -0.070 0.000 1.250 523 D CA -0.051 53.932 54.000 -0.028 0.000 0.911 523 D CB 0.271 41.055 40.800 -0.027 0.000 1.163 523 D HN 0.181 nan 8.370 nan 0.000 0.456 524 L N 2.247 123.433 121.223 -0.062 0.000 2.350 524 L HA 0.285 4.625 4.340 -0.000 0.000 0.275 524 L C -1.777 175.040 176.870 -0.088 0.000 1.099 524 L CA -1.933 52.858 54.840 -0.081 0.000 0.808 524 L CB 0.843 42.869 42.059 -0.054 0.000 1.149 524 L HN 0.311 nan 8.230 nan 0.000 0.442 525 P HA -0.068 nan 4.420 nan 0.000 0.314 525 P C -0.829 176.431 177.300 -0.067 0.000 1.521 525 P CA 0.783 63.823 63.100 -0.100 0.000 0.754 525 P CB -0.231 31.401 31.700 -0.114 0.000 1.692 526 K N 0.000 120.367 120.400 -0.055 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543