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 1aon_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.577 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 3 A N 1.584 124.400 122.820 -0.006 0.000 2.546 3 A HA 0.498 4.818 4.320 -0.000 0.000 0.243 3 A C 0.425 178.006 177.584 -0.005 0.000 1.063 3 A CA 0.456 52.494 52.037 0.000 0.000 0.757 3 A CB -0.158 18.845 19.000 0.005 0.000 0.991 3 A HN 0.643 nan 8.150 nan 0.000 0.503 4 K N 0.891 121.293 120.400 0.004 0.000 2.419 4 K HA 0.529 4.849 4.320 -0.000 0.000 0.246 4 K C -0.917 175.701 176.600 0.029 0.000 1.037 4 K CA -0.605 55.682 56.287 0.000 0.000 0.982 4 K CB 0.773 33.275 32.500 0.003 0.000 1.283 4 K HN 0.704 nan 8.250 nan 0.000 0.500 5 D N 0.813 121.243 120.400 0.051 0.000 2.386 5 D HA 0.208 4.848 4.640 -0.000 0.000 0.247 5 D C -1.228 175.235 176.300 0.273 0.000 1.336 5 D CA -0.530 53.562 54.000 0.152 0.000 0.976 5 D CB 0.772 41.668 40.800 0.160 0.000 1.257 5 D HN 0.251 nan 8.370 nan 0.000 0.570 6 V N 0.961 120.974 119.914 0.165 0.000 2.617 6 V HA 0.715 4.835 4.120 -0.000 0.000 0.298 6 V C -0.261 175.810 176.094 -0.038 0.000 1.048 6 V CA -0.404 61.917 62.300 0.035 0.000 0.964 6 V CB 1.555 33.306 31.823 -0.120 0.000 1.004 6 V HN 0.354 nan 8.190 nan 0.000 0.466 7 K N 3.459 123.697 120.400 -0.270 0.000 2.482 7 K HA 0.662 4.982 4.320 -0.000 0.000 0.251 7 K C -1.685 174.714 176.600 -0.336 0.000 0.936 7 K CA -0.333 55.775 56.287 -0.300 0.000 0.791 7 K CB 2.165 34.243 32.500 -0.704 0.000 1.213 7 K HN 0.654 nan 8.250 nan 0.000 0.428 8 F N 0.254 120.138 119.950 -0.109 0.000 2.572 8 F HA 0.509 5.036 4.527 -0.000 0.000 0.342 8 F C 1.509 177.262 175.800 -0.077 0.000 1.064 8 F CA -0.078 57.880 58.000 -0.070 0.000 1.008 8 F CB 0.568 39.543 39.000 -0.042 0.000 1.303 8 F HN 0.787 nan 8.300 nan 0.000 0.492 9 G N 1.180 110.088 108.800 0.179 0.000 2.551 9 G HA2 -0.500 3.459 3.960 -0.000 0.000 0.383 9 G HA3 -0.500 3.459 3.960 -0.000 0.000 0.383 9 G C 1.025 175.937 174.900 0.020 0.000 1.370 9 G CA 1.086 46.231 45.100 0.075 0.000 0.940 9 G HN 0.943 nan 8.290 nan 0.000 0.524 10 N N 0.261 118.966 118.700 0.010 0.000 2.073 10 N HA -0.192 4.548 4.740 -0.000 0.000 0.199 10 N C 1.727 177.220 175.510 -0.029 0.000 1.023 10 N CA 2.874 55.919 53.050 -0.008 0.000 0.880 10 N CB -0.365 38.119 38.487 -0.006 0.000 1.052 10 N HN 0.574 nan 8.380 nan 0.000 0.449 11 D N -0.096 120.282 120.400 -0.037 0.000 2.108 11 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 11 D C 1.949 178.173 176.300 -0.128 0.000 0.995 11 D CA 1.904 55.859 54.000 -0.075 0.000 0.834 11 D CB -1.068 39.681 40.800 -0.084 0.000 0.967 11 D HN 0.468 nan 8.370 nan 0.000 0.446 12 A N 1.183 123.901 122.820 -0.169 0.000 1.869 12 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 12 A C 2.175 179.689 177.584 -0.116 0.000 1.203 12 A CA 2.336 54.231 52.037 -0.236 0.000 0.638 12 A CB -0.732 18.146 19.000 -0.204 0.000 0.831 12 A HN 0.167 nan 8.150 nan 0.000 0.450 13 R N -0.881 119.582 120.500 -0.061 0.000 2.115 13 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 13 R C 2.106 178.393 176.300 -0.021 0.000 1.133 13 R CA 1.859 57.943 56.100 -0.027 0.000 0.935 13 R CB -1.113 29.179 30.300 -0.014 0.000 0.853 13 R HN 0.418 nan 8.270 nan 0.000 0.433 14 V N 1.954 121.852 119.914 -0.027 0.000 2.222 14 V HA -0.361 3.759 4.120 -0.000 0.000 0.252 14 V C 2.434 178.523 176.094 -0.008 0.000 1.060 14 V CA 1.966 64.256 62.300 -0.017 0.000 1.027 14 V CB -0.569 31.241 31.823 -0.022 0.000 0.644 14 V HN 0.329 nan 8.190 nan 0.000 0.448 15 K N -0.617 119.771 120.400 -0.020 0.000 2.034 15 K HA -0.285 4.035 4.320 -0.000 0.000 0.214 15 K C 2.171 178.797 176.600 0.043 0.000 1.051 15 K CA 2.392 58.689 56.287 0.017 0.000 0.931 15 K CB -0.766 31.740 32.500 0.010 0.000 0.715 15 K HN 0.519 nan 8.250 nan 0.000 0.446 16 M N 0.684 120.306 119.600 0.036 0.000 2.089 16 M HA -0.246 4.234 4.480 -0.000 0.000 0.257 16 M C 2.186 178.505 176.300 0.031 0.000 1.071 16 M CA 1.587 56.915 55.300 0.046 0.000 1.096 16 M CB -0.183 32.435 32.600 0.031 0.000 1.330 16 M HN 0.126 nan 8.290 nan 0.000 0.403 17 L N 0.650 121.884 121.223 0.018 0.000 2.017 17 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 17 L C 2.318 179.198 176.870 0.016 0.000 1.073 17 L CA 1.893 56.742 54.840 0.015 0.000 0.745 17 L CB -0.757 41.307 42.059 0.008 0.000 0.894 17 L HN 0.284 nan 8.230 nan 0.000 0.432 18 R N -0.411 120.100 120.500 0.018 0.000 2.103 18 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 18 R C 2.220 178.533 176.300 0.022 0.000 1.142 18 R CA 1.299 57.410 56.100 0.019 0.000 0.960 18 R CB -1.270 29.043 30.300 0.023 0.000 0.858 18 R HN 0.588 nan 8.270 nan 0.000 0.439 19 G N 1.097 109.915 108.800 0.030 0.000 2.480 19 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 19 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 19 G C 1.542 176.454 174.900 0.019 0.000 1.200 19 G CA 1.146 46.263 45.100 0.029 0.000 0.782 19 G HN 0.135 nan 8.290 nan 0.000 0.554 20 V N 1.681 121.607 119.914 0.019 0.000 2.220 20 V HA -0.357 3.763 4.120 -0.000 0.000 0.250 20 V C 2.518 178.618 176.094 0.011 0.000 1.056 20 V CA 2.444 64.753 62.300 0.014 0.000 1.016 20 V CB -1.121 30.710 31.823 0.014 0.000 0.639 20 V HN 0.514 nan 8.190 nan 0.000 0.446 21 N N -0.008 118.698 118.700 0.010 0.000 2.036 21 N HA -0.234 4.506 4.740 -0.000 0.000 0.199 21 N C 1.733 177.246 175.510 0.006 0.000 1.036 21 N CA 1.852 54.907 53.050 0.008 0.000 0.870 21 N CB -0.441 38.050 38.487 0.008 0.000 1.055 21 N HN 0.348 nan 8.380 nan 0.000 0.436 22 V N 2.131 122.049 119.914 0.007 0.000 2.231 22 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 22 V C 2.315 178.411 176.094 0.003 0.000 1.058 22 V CA 1.600 63.903 62.300 0.005 0.000 1.022 22 V CB -0.887 30.940 31.823 0.007 0.000 0.640 22 V HN 0.389 nan 8.190 nan 0.000 0.445 23 L N 0.618 121.843 121.223 0.004 0.000 1.944 23 L HA -0.232 4.108 4.340 -0.000 0.000 0.218 23 L C 2.613 179.484 176.870 0.002 0.000 1.075 23 L CA 3.048 57.889 54.840 0.002 0.000 0.767 23 L CB -1.722 40.339 42.059 0.003 0.000 0.890 23 L HN 0.362 nan 8.230 nan 0.000 0.434 24 A N 0.129 122.951 122.820 0.004 0.000 1.882 24 A HA -0.340 3.980 4.320 -0.000 0.000 0.220 24 A C 1.896 179.481 177.584 0.002 0.000 1.253 24 A CA 2.528 54.567 52.037 0.004 0.000 0.664 24 A CB -1.293 17.710 19.000 0.005 0.000 0.838 24 A HN 0.646 nan 8.150 nan 0.000 0.460 25 D N -0.233 120.168 120.400 0.001 0.000 2.172 25 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 25 D C 1.965 178.264 176.300 -0.002 0.000 0.999 25 D CA 1.759 55.758 54.000 -0.000 0.000 0.856 25 D CB -0.475 40.325 40.800 0.000 0.000 0.934 25 D HN 0.524 nan 8.370 nan 0.000 0.453 26 A N -0.148 122.671 122.820 -0.002 0.000 2.167 26 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 26 A C 2.154 179.735 177.584 -0.005 0.000 1.151 26 A CA 0.520 52.554 52.037 -0.004 0.000 0.735 26 A CB 0.136 19.133 19.000 -0.005 0.000 0.802 26 A HN 0.175 nan 8.150 nan 0.000 0.467 27 V N -0.716 119.196 119.914 -0.003 0.000 3.379 27 V HA -0.060 4.060 4.120 -0.000 0.000 0.249 27 V C 2.047 178.140 176.094 -0.003 0.000 1.184 27 V CA 1.034 63.332 62.300 -0.003 0.000 1.106 27 V CB -0.196 31.626 31.823 -0.002 0.000 0.826 27 V HN 0.448 nan 8.190 nan 0.000 0.465 28 K N 1.317 121.716 120.400 -0.002 0.000 2.001 28 K HA -0.200 4.120 4.320 -0.000 0.000 0.214 28 K C 2.186 178.784 176.600 -0.003 0.000 1.050 28 K CA 1.979 58.265 56.287 -0.002 0.000 0.934 28 K CB -0.910 31.589 32.500 -0.001 0.000 0.718 28 K HN 0.490 nan 8.250 nan 0.000 0.443 29 V N 0.671 120.583 119.914 -0.004 0.000 2.409 29 V HA -0.267 3.853 4.120 -0.000 0.000 0.261 29 V C 1.843 177.934 176.094 -0.005 0.000 1.099 29 V CA 2.377 64.674 62.300 -0.005 0.000 1.100 29 V CB -1.772 30.048 31.823 -0.006 0.000 0.677 29 V HN 0.506 nan 8.190 nan 0.000 0.460 30 T N -2.138 112.413 114.554 -0.005 0.000 3.260 30 T HA 0.561 4.911 4.350 -0.000 0.000 0.254 30 T C -0.257 174.440 174.700 -0.004 0.000 0.951 30 T CA -0.305 61.792 62.100 -0.005 0.000 0.918 30 T CB -0.027 68.837 68.868 -0.007 0.000 1.098 30 T HN 0.424 nan 8.240 nan 0.000 0.563 31 L N 1.767 122.988 121.223 -0.003 0.000 2.296 31 L HA 0.774 5.114 4.340 -0.000 0.000 0.286 31 L C 0.448 177.318 176.870 -0.001 0.000 1.023 31 L CA 0.972 55.811 54.840 -0.002 0.000 0.812 31 L CB 0.658 42.716 42.059 -0.001 0.000 1.223 31 L HN 0.668 nan 8.230 nan 0.000 0.421 32 G N 4.796 113.595 108.800 -0.002 0.000 2.756 32 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.678 32 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.678 32 G C -2.196 172.701 174.900 -0.004 0.000 1.349 32 G CA -0.316 44.783 45.100 -0.002 0.000 0.847 32 G HN 0.578 nan 8.290 nan 0.000 0.548 33 P HA -0.105 nan 4.420 nan 0.000 0.216 33 P C 1.010 178.305 177.300 -0.008 0.000 1.150 33 P CA 1.642 64.735 63.100 -0.011 0.000 0.837 33 P CB 0.045 31.734 31.700 -0.019 0.000 0.786 34 K N 0.438 120.836 120.400 -0.004 0.000 2.596 34 K HA 0.233 4.553 4.320 -0.000 0.000 0.211 34 K C 1.047 177.646 176.600 -0.001 0.000 1.046 34 K CA -0.363 55.924 56.287 -0.001 0.000 1.202 34 K CB -0.052 32.451 32.500 0.005 0.000 0.925 34 K HN 0.106 nan 8.250 nan 0.000 0.486 35 G N 0.879 109.677 108.800 -0.003 0.000 2.503 35 G HA2 0.209 4.169 3.960 -0.000 0.000 0.257 35 G HA3 0.209 4.169 3.960 -0.000 0.000 0.257 35 G C -0.199 174.698 174.900 -0.005 0.000 1.214 35 G CA -0.451 44.646 45.100 -0.004 0.000 0.839 35 G HN 0.214 nan 8.290 nan 0.000 0.559 36 R N 0.207 120.703 120.500 -0.005 0.000 2.893 36 R HA 0.380 4.720 4.340 -0.000 0.000 0.245 36 R C -0.342 175.953 176.300 -0.007 0.000 1.192 36 R CA -0.961 55.136 56.100 -0.006 0.000 1.077 36 R CB 1.052 31.349 30.300 -0.006 0.000 1.253 36 R HN 0.488 nan 8.270 nan 0.000 0.505 37 N N -0.416 118.279 118.700 -0.009 0.000 2.483 37 N HA 0.478 5.218 4.740 -0.000 0.000 0.285 37 N C -1.039 174.464 175.510 -0.012 0.000 1.210 37 N CA -0.454 52.590 53.050 -0.010 0.000 0.931 37 N CB 1.879 40.360 38.487 -0.011 0.000 1.220 37 N HN 0.101 nan 8.380 nan 0.000 0.542 38 V N 0.420 120.326 119.914 -0.014 0.000 2.962 38 V HA 0.460 4.580 4.120 -0.000 0.000 0.313 38 V C -0.346 175.735 176.094 -0.021 0.000 1.099 38 V CA -0.851 61.440 62.300 -0.016 0.000 0.971 38 V CB 2.297 34.111 31.823 -0.015 0.000 1.028 38 V HN 0.291 nan 8.190 nan 0.000 0.430 39 V N 4.469 124.367 119.914 -0.026 0.000 2.384 39 V HA 0.477 4.597 4.120 -0.000 0.000 0.287 39 V C -0.353 175.714 176.094 -0.045 0.000 1.020 39 V CA -0.450 61.829 62.300 -0.034 0.000 0.850 39 V CB 1.501 33.303 31.823 -0.035 0.000 0.987 39 V HN 0.613 nan 8.190 nan 0.000 0.436 40 L N 3.826 125.017 121.223 -0.054 0.000 2.265 40 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 40 L C 0.155 176.954 176.870 -0.119 0.000 1.033 40 L CA -0.437 54.361 54.840 -0.071 0.000 0.814 40 L CB 1.366 43.392 42.059 -0.055 0.000 1.203 40 L HN 0.604 nan 8.230 nan 0.000 0.423 41 D N 3.483 123.803 120.400 -0.135 0.000 2.363 41 D HA 0.263 4.903 4.640 -0.000 0.000 0.240 41 D C -0.679 175.411 176.300 -0.350 0.000 1.236 41 D CA 0.297 54.185 54.000 -0.186 0.000 0.927 41 D CB 0.767 41.481 40.800 -0.142 0.000 1.150 41 D HN 0.391 nan 8.370 nan 0.000 0.458 42 K N 0.140 120.264 120.400 -0.461 0.000 2.606 42 K HA 0.136 4.456 4.320 -0.000 0.000 0.259 42 K C 0.249 176.476 176.600 -0.621 0.000 1.001 42 K CA -0.367 55.321 56.287 -0.998 0.000 0.881 42 K CB 1.601 33.418 32.500 -1.138 0.000 1.288 42 K HN 0.413 nan 8.250 nan 0.000 0.452 43 S N 2.322 117.753 115.700 -0.448 0.000 2.399 43 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 43 S C 1.631 176.324 174.600 0.154 0.000 1.022 43 S CA 0.800 58.995 58.200 -0.008 0.000 0.983 43 S CB -0.495 62.804 63.200 0.166 0.000 0.803 43 S HN 0.460 nan 8.310 nan 0.000 0.480 44 F N 3.023 122.968 119.950 -0.008 0.000 2.066 44 F HA 0.194 4.721 4.527 -0.000 0.000 0.302 44 F C 2.253 178.049 175.800 -0.007 0.000 1.254 44 F CA 0.380 58.376 58.000 -0.008 0.000 1.219 44 F CB -1.743 37.252 39.000 -0.009 0.000 0.936 44 F HN 0.443 nan 8.300 nan 0.000 0.542 45 G N -1.392 107.511 108.800 0.172 0.000 3.414 45 G HA2 0.586 4.546 3.960 -0.000 0.000 0.189 45 G HA3 0.586 4.546 3.960 -0.000 0.000 0.189 45 G C -0.764 174.127 174.900 -0.015 0.000 1.329 45 G CA 0.005 45.143 45.100 0.064 0.000 0.851 45 G HN 0.590 nan 8.290 nan 0.000 0.671 46 A N 0.223 123.033 122.820 -0.016 0.000 2.322 46 A HA 0.722 5.042 4.320 -0.000 0.000 0.269 46 A C -2.227 175.312 177.584 -0.075 0.000 1.094 46 A CA -0.859 51.153 52.037 -0.041 0.000 0.807 46 A CB 0.040 19.027 19.000 -0.022 0.000 1.047 46 A HN 0.358 nan 8.150 nan 0.000 0.487 47 P HA 0.207 nan 4.420 nan 0.000 0.269 47 P C -0.211 177.047 177.300 -0.070 0.000 1.217 47 P CA 0.254 63.293 63.100 -0.102 0.000 0.783 47 P CB 0.457 32.108 31.700 -0.081 0.000 0.898 48 T N 1.819 116.331 114.554 -0.071 0.000 2.859 48 T HA 0.580 4.930 4.350 -0.000 0.000 0.281 48 T C -0.068 174.611 174.700 -0.034 0.000 1.005 48 T CA -0.322 61.754 62.100 -0.041 0.000 1.025 48 T CB 0.232 69.080 68.868 -0.033 0.000 0.977 48 T HN 0.156 nan 8.240 nan 0.000 0.458 49 I N 2.623 123.180 120.570 -0.023 0.000 2.420 49 I HA 0.435 4.605 4.170 -0.000 0.000 0.282 49 I C 0.243 176.352 176.117 -0.014 0.000 1.019 49 I CA -0.508 60.780 61.300 -0.019 0.000 1.130 49 I CB 1.677 39.667 38.000 -0.016 0.000 1.262 49 I HN 0.479 nan 8.210 nan 0.000 0.454 50 T N 3.837 118.382 114.554 -0.014 0.000 2.887 50 T HA 0.400 4.750 4.350 -0.000 0.000 0.292 50 T C 0.016 174.710 174.700 -0.011 0.000 1.087 50 T CA -0.466 61.627 62.100 -0.011 0.000 1.009 50 T CB 2.174 71.035 68.868 -0.011 0.000 1.203 50 T HN 0.700 nan 8.240 nan 0.000 0.518 51 K N 0.770 121.164 120.400 -0.010 0.000 2.501 51 K HA 0.206 4.526 4.320 -0.000 0.000 0.204 51 K C -0.526 176.068 176.600 -0.011 0.000 1.067 51 K CA -0.242 56.039 56.287 -0.010 0.000 1.060 51 K CB 0.440 32.935 32.500 -0.008 0.000 0.873 51 K HN 0.469 nan 8.250 nan 0.000 0.540 52 D N 0.293 120.685 120.400 -0.013 0.000 2.365 52 D HA 0.120 4.760 4.640 -0.000 0.000 0.237 52 D C 1.162 177.452 176.300 -0.015 0.000 1.190 52 D CA 0.098 54.088 54.000 -0.017 0.000 0.867 52 D CB 1.250 42.037 40.800 -0.022 0.000 1.050 52 D HN 0.314 nan 8.370 nan 0.000 0.491 53 G N 2.913 111.705 108.800 -0.013 0.000 2.574 53 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 53 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 53 G C 1.534 176.427 174.900 -0.012 0.000 1.173 53 G CA 0.954 46.048 45.100 -0.010 0.000 0.772 53 G HN 0.497 nan 8.290 nan 0.000 0.585 54 V N 0.484 120.388 119.914 -0.016 0.000 2.490 54 V HA -0.141 3.978 4.120 -0.000 0.000 0.250 54 V C 2.944 179.028 176.094 -0.017 0.000 1.061 54 V CA 2.755 65.044 62.300 -0.019 0.000 1.064 54 V CB -0.383 31.424 31.823 -0.028 0.000 0.670 54 V HN 0.358 nan 8.190 nan 0.000 0.461 55 S N -0.474 115.216 115.700 -0.016 0.000 2.356 55 S HA -0.163 4.306 4.470 -0.000 0.000 0.223 55 S C 1.809 176.405 174.600 -0.007 0.000 1.032 55 S CA 1.671 59.865 58.200 -0.010 0.000 1.005 55 S CB -0.184 63.011 63.200 -0.010 0.000 0.867 55 S HN 0.503 nan 8.310 nan 0.000 0.449 56 V N 2.094 122.002 119.914 -0.009 0.000 2.216 56 V HA -0.214 3.906 4.120 -0.000 0.000 0.243 56 V C 2.642 178.732 176.094 -0.007 0.000 1.044 56 V CA 1.701 63.996 62.300 -0.009 0.000 0.995 56 V CB -1.448 30.369 31.823 -0.009 0.000 0.633 56 V HN 0.532 nan 8.190 nan 0.000 0.446 57 A N 0.365 123.180 122.820 -0.007 0.000 1.900 57 A HA -0.418 3.902 4.320 -0.000 0.000 0.225 57 A C 2.240 179.821 177.584 -0.006 0.000 1.414 57 A CA 3.147 55.179 52.037 -0.007 0.000 0.702 57 A CB -0.944 18.050 19.000 -0.009 0.000 0.845 57 A HN 0.585 nan 8.150 nan 0.000 0.478 58 R N -0.919 119.578 120.500 -0.006 0.000 2.140 58 R HA -0.190 4.150 4.340 -0.000 0.000 0.250 58 R C 1.859 178.162 176.300 0.005 0.000 1.150 58 R CA 1.545 57.643 56.100 -0.002 0.000 0.966 58 R CB -0.487 29.813 30.300 0.000 0.000 0.869 58 R HN 0.577 nan 8.270 nan 0.000 0.445 59 E N 0.406 120.609 120.200 0.006 0.000 2.409 59 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 59 E C 0.425 177.026 176.600 0.001 0.000 1.024 59 E CA 0.474 56.878 56.400 0.008 0.000 0.861 59 E CB 0.053 29.753 29.700 -0.000 0.000 0.788 59 E HN 0.243 nan 8.360 nan 0.000 0.521 60 I N 1.762 122.331 120.570 -0.002 0.000 2.396 60 I HA 0.177 4.347 4.170 -0.000 0.000 0.289 60 I C 0.365 176.480 176.117 -0.003 0.000 1.056 60 I CA -0.046 61.252 61.300 -0.003 0.000 1.365 60 I CB 0.329 38.327 38.000 -0.003 0.000 1.407 60 I HN -0.091 nan 8.210 nan 0.000 0.509 61 E N 5.990 126.188 120.200 -0.003 0.000 2.278 61 E HA 0.484 4.834 4.350 -0.000 0.000 0.272 61 E C -1.740 174.857 176.600 -0.006 0.000 0.890 61 E CA -0.701 55.696 56.400 -0.006 0.000 0.770 61 E CB 1.916 31.613 29.700 -0.005 0.000 1.212 61 E HN 0.248 nan 8.360 nan 0.000 0.415 62 L N 3.253 124.472 121.223 -0.007 0.000 2.344 62 L HA 0.303 4.643 4.340 -0.000 0.000 0.272 62 L C 1.426 178.290 176.870 -0.010 0.000 1.035 62 L CA 0.158 54.995 54.840 -0.004 0.000 0.807 62 L CB 1.271 43.333 42.059 0.005 0.000 1.237 62 L HN 0.766 nan 8.230 nan 0.000 0.442 63 E N 0.215 120.412 120.200 -0.005 0.000 2.072 63 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 63 E C -0.224 176.368 176.600 -0.013 0.000 0.982 63 E CA 0.473 56.867 56.400 -0.010 0.000 0.803 63 E CB 0.275 29.973 29.700 -0.003 0.000 0.755 63 E HN 0.742 nan 8.360 nan 0.000 0.453 64 D N 0.713 121.117 120.400 0.006 0.000 2.363 64 D HA -0.049 4.591 4.640 -0.000 0.000 0.263 64 D C 0.924 177.213 176.300 -0.018 0.000 1.258 64 D CA 0.006 54.020 54.000 0.023 0.000 0.907 64 D CB 0.648 41.491 40.800 0.071 0.000 1.107 64 D HN -0.101 nan 8.370 nan 0.000 0.495 65 K N 3.210 123.543 120.400 -0.112 0.000 2.089 65 K HA -0.206 4.113 4.320 -0.000 0.000 0.210 65 K C 1.550 177.996 176.600 -0.257 0.000 1.048 65 K CA 1.415 57.550 56.287 -0.254 0.000 0.926 65 K CB -0.369 31.855 32.500 -0.459 0.000 0.714 65 K HN 0.535 nan 8.250 nan 0.000 0.448 66 F N 1.118 121.060 119.950 -0.014 0.000 2.149 66 F HA -0.019 4.508 4.527 -0.000 0.000 0.294 66 F C 2.433 178.225 175.800 -0.013 0.000 1.095 66 F CA 0.814 58.805 58.000 -0.016 0.000 1.276 66 F CB -0.538 38.453 39.000 -0.016 0.000 1.023 66 F HN 0.091 nan 8.300 nan 0.000 0.480 67 E N 0.207 120.516 120.200 0.182 0.000 2.085 67 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 67 E C 1.886 178.521 176.600 0.058 0.000 0.994 67 E CA 1.436 57.894 56.400 0.098 0.000 0.801 67 E CB -0.314 29.428 29.700 0.070 0.000 0.743 67 E HN 0.306 nan 8.360 nan 0.000 0.453 68 N N 0.461 119.180 118.700 0.033 0.000 2.069 68 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 68 N C 1.740 177.252 175.510 0.003 0.000 1.031 68 N CA 1.491 54.543 53.050 0.003 0.000 0.852 68 N CB -0.024 38.448 38.487 -0.026 0.000 1.018 68 N HN 0.077 nan 8.380 nan 0.000 0.423 69 M N -0.449 119.155 119.600 0.006 0.000 2.073 69 M HA -0.106 4.374 4.480 -0.000 0.000 0.258 69 M C 2.257 178.572 176.300 0.025 0.000 1.070 69 M CA 1.898 57.205 55.300 0.011 0.000 1.103 69 M CB -0.930 31.689 32.600 0.033 0.000 1.321 69 M HN 0.374 nan 8.290 nan 0.000 0.405 70 G N 0.003 108.830 108.800 0.045 0.000 2.529 70 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 70 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 70 G C 1.600 176.512 174.900 0.020 0.000 1.177 70 G CA 1.362 46.483 45.100 0.035 0.000 0.773 70 G HN 0.576 nan 8.290 nan 0.000 0.573 71 A N -0.348 122.483 122.820 0.017 0.000 1.902 71 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 71 A C 2.373 179.958 177.584 0.002 0.000 1.181 71 A CA 1.990 54.032 52.037 0.009 0.000 0.623 71 A CB -0.395 18.609 19.000 0.007 0.000 0.818 71 A HN 0.330 nan 8.150 nan 0.000 0.443 72 Q N -0.776 119.024 119.800 -0.001 0.000 2.291 72 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 72 Q C 2.040 178.035 176.000 -0.008 0.000 0.976 72 Q CA 1.412 57.210 55.803 -0.008 0.000 0.875 72 Q CB -0.376 28.355 28.738 -0.013 0.000 0.927 72 Q HN 0.802 nan 8.270 nan 0.000 0.450 73 M N -0.492 119.107 119.600 -0.002 0.000 2.155 73 M HA -0.109 4.371 4.480 -0.000 0.000 0.258 73 M C 2.301 178.599 176.300 -0.003 0.000 1.092 73 M CA 1.096 56.394 55.300 -0.003 0.000 1.153 73 M CB -0.541 32.061 32.600 0.004 0.000 1.316 73 M HN 0.037 nan 8.290 nan 0.000 0.431 74 V N -0.174 119.742 119.914 0.003 0.000 2.370 74 V HA -0.324 3.796 4.120 -0.000 0.000 0.252 74 V C 2.174 178.267 176.094 -0.002 0.000 1.068 74 V CA 2.304 64.607 62.300 0.005 0.000 1.061 74 V CB -1.494 30.334 31.823 0.009 0.000 0.656 74 V HN 0.532 nan 8.190 nan 0.000 0.455 75 K N 0.670 121.067 120.400 -0.006 0.000 2.173 75 K HA -0.325 3.995 4.320 -0.000 0.000 0.207 75 K C 2.270 178.855 176.600 -0.024 0.000 1.046 75 K CA 2.268 58.547 56.287 -0.013 0.000 0.929 75 K CB -0.245 32.247 32.500 -0.013 0.000 0.720 75 K HN 0.744 nan 8.250 nan 0.000 0.453 76 E N 0.228 120.410 120.200 -0.030 0.000 2.204 76 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 76 E C 1.895 178.452 176.600 -0.070 0.000 0.989 76 E CA 0.915 57.283 56.400 -0.054 0.000 0.824 76 E CB 0.086 29.753 29.700 -0.055 0.000 0.756 76 E HN 0.312 nan 8.360 nan 0.000 0.477 77 V N 0.264 120.159 119.914 -0.032 0.000 2.270 77 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 77 V C 2.265 178.354 176.094 -0.008 0.000 1.043 77 V CA 2.096 64.392 62.300 -0.006 0.000 1.014 77 V CB -0.734 31.116 31.823 0.046 0.000 0.645 77 V HN 0.315 nan 8.190 nan 0.000 0.447 78 A N -0.045 122.773 122.820 -0.003 0.000 1.927 78 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 78 A C 2.602 180.172 177.584 -0.023 0.000 1.185 78 A CA 3.010 55.045 52.037 -0.003 0.000 0.639 78 A CB -1.316 17.680 19.000 -0.006 0.000 0.820 78 A HN 0.804 nan 8.150 nan 0.000 0.451 79 S N -1.004 114.666 115.700 -0.049 0.000 2.336 79 S HA -0.185 4.285 4.470 -0.000 0.000 0.214 79 S C 2.212 176.745 174.600 -0.112 0.000 1.032 79 S CA 1.663 59.820 58.200 -0.071 0.000 1.001 79 S CB -0.363 62.791 63.200 -0.076 0.000 0.953 79 S HN 0.404 nan 8.310 nan 0.000 0.430 80 K N 1.491 121.767 120.400 -0.208 0.000 2.107 80 K HA -0.106 4.214 4.320 -0.000 0.000 0.211 80 K C 2.235 178.650 176.600 -0.308 0.000 1.049 80 K CA 1.699 57.737 56.287 -0.414 0.000 0.927 80 K CB -1.296 30.707 32.500 -0.829 0.000 0.714 80 K HN 0.464 nan 8.250 nan 0.000 0.452 81 A N 1.183 123.950 122.820 -0.088 0.000 1.948 81 A HA -0.237 4.082 4.320 -0.000 0.000 0.220 81 A C 2.102 179.746 177.584 0.100 0.000 1.177 81 A CA 2.129 54.287 52.037 0.201 0.000 0.636 81 A CB -0.721 18.374 19.000 0.159 0.000 0.815 81 A HN 0.618 nan 8.150 nan 0.000 0.449 82 N N -0.918 117.787 118.700 0.010 0.000 2.216 82 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 82 N C 0.881 176.384 175.510 -0.011 0.000 1.017 82 N CA 1.109 54.149 53.050 -0.017 0.000 0.861 82 N CB -0.092 38.369 38.487 -0.043 0.000 0.986 82 N HN 0.439 nan 8.380 nan 0.000 0.428 83 D N 0.739 121.128 120.400 -0.019 0.000 2.183 83 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 83 D C 1.808 178.140 176.300 0.052 0.000 0.969 83 D CA 0.593 54.591 54.000 -0.003 0.000 0.842 83 D CB -0.115 40.660 40.800 -0.042 0.000 0.957 83 D HN 0.346 nan 8.370 nan 0.000 0.484 84 A N 1.068 123.950 122.820 0.104 0.000 1.845 84 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 84 A C 1.882 179.546 177.584 0.132 0.000 1.195 84 A CA 2.186 54.335 52.037 0.186 0.000 0.616 84 A CB -0.127 19.120 19.000 0.413 0.000 0.832 84 A HN 0.247 nan 8.150 nan 0.000 0.443 85 A N -2.619 120.270 122.820 0.114 0.000 2.569 85 A HA 0.490 4.810 4.320 -0.000 0.000 0.284 85 A C 1.220 178.845 177.584 0.067 0.000 0.948 85 A CA 0.852 52.950 52.037 0.102 0.000 1.007 85 A CB -0.715 18.336 19.000 0.085 0.000 1.232 85 A HN 1.995 nan 8.150 nan 0.000 0.530 86 G N 0.180 108.977 108.800 -0.005 0.000 2.422 86 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.301 86 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.301 86 G C -0.164 174.655 174.900 -0.136 0.000 0.981 86 G CA 1.116 46.111 45.100 -0.174 0.000 0.994 86 G HN 0.944 nan 8.290 nan 0.000 0.514 87 D N -2.775 117.601 120.400 -0.040 0.000 2.926 87 D HA 0.504 5.144 4.640 -0.000 0.000 0.272 87 D C 0.867 177.172 176.300 0.008 0.000 1.172 87 D CA 1.256 55.244 54.000 -0.020 0.000 0.731 87 D CB 0.175 40.972 40.800 -0.005 0.000 1.282 87 D HN 1.347 nan 8.370 nan 0.000 0.430 88 G N 0.446 109.251 108.800 0.007 0.000 2.195 88 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.246 88 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.246 88 G C 1.154 176.066 174.900 0.022 0.000 0.984 88 G CA 1.569 46.679 45.100 0.016 0.000 0.633 88 G HN 1.124 nan 8.290 nan 0.000 0.525 89 T N -0.754 113.810 114.554 0.016 0.000 2.536 89 T HA -0.276 4.074 4.350 -0.000 0.000 0.263 89 T C 2.226 176.934 174.700 0.014 0.000 1.115 89 T CA 3.025 65.134 62.100 0.016 0.000 1.180 89 T CB -1.444 67.423 68.868 -0.003 0.000 0.864 89 T HN 0.609 nan 8.240 nan 0.000 0.419 90 T N 1.912 116.470 114.554 0.005 0.000 2.624 90 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 90 T C 2.281 176.987 174.700 0.010 0.000 1.041 90 T CA 2.199 64.302 62.100 0.005 0.000 1.159 90 T CB -1.379 67.489 68.868 0.001 0.000 0.863 90 T HN 0.619 nan 8.240 nan 0.000 0.434 91 T N 2.181 116.742 114.554 0.011 0.000 2.635 91 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 91 T C 2.361 177.071 174.700 0.018 0.000 1.040 91 T CA 1.497 63.605 62.100 0.012 0.000 1.156 91 T CB -0.874 68.001 68.868 0.011 0.000 0.863 91 T HN 0.498 nan 8.240 nan 0.000 0.430 92 A N 1.600 124.437 122.820 0.028 0.000 1.859 92 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 92 A C 2.559 180.163 177.584 0.034 0.000 1.209 92 A CA 2.782 54.844 52.037 0.042 0.000 0.639 92 A CB -1.676 17.366 19.000 0.071 0.000 0.835 92 A HN 0.504 nan 8.150 nan 0.000 0.450 93 T N -0.188 114.384 114.554 0.029 0.000 2.624 93 T HA -0.254 4.096 4.350 -0.000 0.000 0.266 93 T C 1.825 176.535 174.700 0.017 0.000 1.050 93 T CA 2.134 64.246 62.100 0.021 0.000 1.163 93 T CB -0.916 67.960 68.868 0.013 0.000 0.861 93 T HN 0.197 nan 8.240 nan 0.000 0.443 94 V N 1.432 121.354 119.914 0.013 0.000 2.278 94 V HA -0.222 3.898 4.120 -0.000 0.000 0.251 94 V C 2.515 178.616 176.094 0.011 0.000 1.062 94 V CA 1.807 64.113 62.300 0.010 0.000 1.038 94 V CB -0.791 31.036 31.823 0.007 0.000 0.646 94 V HN 0.453 nan 8.190 nan 0.000 0.447 95 L N -0.337 120.894 121.223 0.015 0.000 1.989 95 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 95 L C 2.769 179.649 176.870 0.017 0.000 1.071 95 L CA 1.717 56.566 54.840 0.015 0.000 0.749 95 L CB -0.958 41.111 42.059 0.017 0.000 0.890 95 L HN 0.385 nan 8.230 nan 0.000 0.431 96 A N 0.132 122.965 122.820 0.022 0.000 1.849 96 A HA -0.368 3.952 4.320 -0.000 0.000 0.217 96 A C 2.149 179.743 177.584 0.016 0.000 1.202 96 A CA 2.321 54.371 52.037 0.022 0.000 0.629 96 A CB -0.949 18.066 19.000 0.025 0.000 0.834 96 A HN 0.498 nan 8.150 nan 0.000 0.447 97 Q N 0.103 119.911 119.800 0.014 0.000 2.084 97 Q HA -0.259 4.081 4.340 -0.000 0.000 0.215 97 Q C 1.930 177.936 176.000 0.010 0.000 1.020 97 Q CA 3.512 59.321 55.803 0.011 0.000 0.887 97 Q CB -0.993 27.751 28.738 0.009 0.000 0.975 97 Q HN 0.661 nan 8.270 nan 0.000 0.413 98 A N 0.372 123.198 122.820 0.009 0.000 1.834 98 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 98 A C 2.298 179.888 177.584 0.009 0.000 1.203 98 A CA 1.974 54.016 52.037 0.008 0.000 0.621 98 A CB -1.121 17.883 19.000 0.007 0.000 0.841 98 A HN 0.552 nan 8.150 nan 0.000 0.446 99 I N -0.223 120.354 120.570 0.011 0.000 2.113 99 I HA -0.356 3.814 4.170 -0.000 0.000 0.242 99 I C 2.442 178.566 176.117 0.011 0.000 1.064 99 I CA 1.950 63.257 61.300 0.011 0.000 1.320 99 I CB -0.539 37.470 38.000 0.014 0.000 1.028 99 I HN 0.377 nan 8.210 nan 0.000 0.406 100 I N 0.210 120.787 120.570 0.012 0.000 2.127 100 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 100 I C 2.607 178.729 176.117 0.009 0.000 1.075 100 I CA 1.907 63.214 61.300 0.011 0.000 1.334 100 I CB -0.832 37.175 38.000 0.012 0.000 1.040 100 I HN 0.302 nan 8.210 nan 0.000 0.405 101 T N 0.451 115.010 114.554 0.008 0.000 2.536 101 T HA -0.246 4.104 4.350 -0.000 0.000 0.263 101 T C 1.817 176.521 174.700 0.005 0.000 1.115 101 T CA 1.737 63.841 62.100 0.006 0.000 1.180 101 T CB -0.377 68.494 68.868 0.005 0.000 0.864 101 T HN 0.307 nan 8.240 nan 0.000 0.419 102 E N 0.720 120.923 120.200 0.006 0.000 2.049 102 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 102 E C 2.531 179.134 176.600 0.006 0.000 1.007 102 E CA 1.519 57.922 56.400 0.005 0.000 0.809 102 E CB -1.211 28.492 29.700 0.005 0.000 0.749 102 E HN 0.582 nan 8.360 nan 0.000 0.450 103 G N 1.850 110.654 108.800 0.007 0.000 2.631 103 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 103 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 103 G C 1.784 176.688 174.900 0.007 0.000 1.214 103 G CA 1.421 46.526 45.100 0.007 0.000 0.785 103 G HN 0.226 nan 8.290 nan 0.000 0.596 104 L N 0.301 121.528 121.223 0.006 0.000 2.013 104 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 104 L C 2.860 179.733 176.870 0.004 0.000 1.073 104 L CA 1.972 56.815 54.840 0.005 0.000 0.753 104 L CB -0.518 41.544 42.059 0.004 0.000 0.890 104 L HN 0.280 nan 8.230 nan 0.000 0.432 105 K N 0.250 120.652 120.400 0.004 0.000 2.113 105 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 105 K C 2.007 178.609 176.600 0.003 0.000 1.047 105 K CA 1.596 57.885 56.287 0.003 0.000 0.928 105 K CB -0.079 32.422 32.500 0.003 0.000 0.716 105 K HN 0.339 nan 8.250 nan 0.000 0.446 106 A N 0.108 122.930 122.820 0.004 0.000 2.067 106 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 106 A C 2.034 179.621 177.584 0.005 0.000 1.156 106 A CA 0.830 52.870 52.037 0.004 0.000 0.683 106 A CB -0.028 18.975 19.000 0.005 0.000 0.808 106 A HN 0.156 nan 8.150 nan 0.000 0.455 107 V N -0.302 119.615 119.914 0.005 0.000 2.488 107 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 107 V C 2.978 179.075 176.094 0.005 0.000 1.046 107 V CA 1.603 63.906 62.300 0.006 0.000 1.053 107 V CB -1.027 30.800 31.823 0.007 0.000 0.679 107 V HN 0.552 nan 8.190 nan 0.000 0.458 108 A N 0.306 123.128 122.820 0.004 0.000 1.972 108 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 108 A C 2.343 179.928 177.584 0.002 0.000 1.169 108 A CA 1.801 53.839 52.037 0.002 0.000 0.635 108 A CB -0.631 18.369 19.000 0.001 0.000 0.810 108 A HN 0.567 nan 8.150 nan 0.000 0.446 109 A N -1.654 121.167 122.820 0.002 0.000 2.121 109 A HA 0.337 4.657 4.320 -0.000 0.000 0.218 109 A C 1.814 179.399 177.584 0.002 0.000 1.154 109 A CA 1.515 53.553 52.037 0.002 0.000 0.679 109 A CB -0.885 18.116 19.000 0.002 0.000 0.795 109 A HN 1.958 nan 8.150 nan 0.000 0.458 110 G N -2.062 106.740 108.800 0.003 0.000 2.141 110 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.195 110 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.195 110 G C -0.038 174.865 174.900 0.004 0.000 1.012 110 G CA 0.146 45.247 45.100 0.003 0.000 0.696 110 G HN 0.362 nan 8.290 nan 0.000 0.508 111 M N 0.106 119.708 119.600 0.005 0.000 2.409 111 M HA 0.367 4.847 4.480 -0.000 0.000 0.329 111 M C 0.544 176.848 176.300 0.007 0.000 1.180 111 M CA -0.934 54.369 55.300 0.005 0.000 1.053 111 M CB 1.092 33.695 32.600 0.005 0.000 1.586 111 M HN 0.170 nan 8.290 nan 0.000 0.461 112 N N 2.236 120.940 118.700 0.007 0.000 2.431 112 N HA 0.119 4.859 4.740 -0.000 0.000 0.265 112 N C -2.248 173.267 175.510 0.009 0.000 1.184 112 N CA -1.203 51.852 53.050 0.008 0.000 0.943 112 N CB 0.843 39.335 38.487 0.008 0.000 1.080 112 N HN 0.219 nan 8.380 nan 0.000 0.477 113 P HA -0.157 nan 4.420 nan 0.000 0.215 113 P C 1.334 178.640 177.300 0.011 0.000 1.157 113 P CA 1.087 64.193 63.100 0.011 0.000 0.868 113 P CB 0.081 31.789 31.700 0.012 0.000 0.788 114 M N -0.442 119.165 119.600 0.011 0.000 2.202 114 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 114 M C 1.201 177.507 176.300 0.010 0.000 1.063 114 M CA 1.801 57.107 55.300 0.011 0.000 1.097 114 M CB -1.030 31.577 32.600 0.011 0.000 1.382 114 M HN -0.182 nan 8.290 nan 0.000 0.413 115 D N -0.638 119.768 120.400 0.009 0.000 2.162 115 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 115 D C 2.094 178.399 176.300 0.008 0.000 0.967 115 D CA 1.017 55.022 54.000 0.008 0.000 0.840 115 D CB -0.221 40.583 40.800 0.007 0.000 0.972 115 D HN 0.373 nan 8.370 nan 0.000 0.482 116 L N 1.000 122.228 121.223 0.008 0.000 1.990 116 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 116 L C 2.593 179.468 176.870 0.009 0.000 1.072 116 L CA 1.404 56.249 54.840 0.008 0.000 0.755 116 L CB -0.464 41.600 42.059 0.009 0.000 0.889 116 L HN 0.017 nan 8.230 nan 0.000 0.432 117 K N 0.244 120.650 120.400 0.010 0.000 2.020 117 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 117 K C 2.296 178.902 176.600 0.011 0.000 1.050 117 K CA 1.641 57.935 56.287 0.011 0.000 0.929 117 K CB -0.046 32.461 32.500 0.012 0.000 0.714 117 K HN 0.211 nan 8.250 nan 0.000 0.443 118 R N -0.375 120.131 120.500 0.010 0.000 2.080 118 R HA -0.122 4.218 4.340 -0.000 0.000 0.236 118 R C 2.559 178.864 176.300 0.008 0.000 1.137 118 R CA 1.471 57.577 56.100 0.009 0.000 0.943 118 R CB -0.942 29.363 30.300 0.008 0.000 0.846 118 R HN 0.441 nan 8.270 nan 0.000 0.431 119 G N 1.926 110.730 108.800 0.007 0.000 2.529 119 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 119 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 119 G C 1.518 176.422 174.900 0.007 0.000 1.177 119 G CA 1.192 46.296 45.100 0.006 0.000 0.773 119 G HN 0.201 nan 8.290 nan 0.000 0.573 120 I N 0.810 121.385 120.570 0.008 0.000 2.113 120 I HA -0.166 4.004 4.170 -0.000 0.000 0.238 120 I C 2.483 178.605 176.117 0.007 0.000 1.070 120 I CA 1.497 62.802 61.300 0.008 0.000 1.332 120 I CB -0.445 37.561 38.000 0.010 0.000 1.044 120 I HN 0.100 nan 8.210 nan 0.000 0.402 121 D N 1.134 121.539 120.400 0.009 0.000 2.154 121 D HA -0.282 4.358 4.640 -0.000 0.000 0.190 121 D C 2.034 178.337 176.300 0.005 0.000 1.003 121 D CA 1.779 55.784 54.000 0.008 0.000 0.849 121 D CB -0.314 40.492 40.800 0.010 0.000 0.942 121 D HN 0.351 nan 8.370 nan 0.000 0.446 122 K N 0.880 121.282 120.400 0.005 0.000 1.991 122 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 122 K C 2.207 178.808 176.600 0.002 0.000 1.049 122 K CA 1.556 57.845 56.287 0.003 0.000 0.932 122 K CB -0.225 32.277 32.500 0.004 0.000 0.717 122 K HN 0.020 nan 8.250 nan 0.000 0.441 123 A N 0.684 123.506 122.820 0.003 0.000 1.971 123 A HA -0.205 4.115 4.320 -0.000 0.000 0.222 123 A C 2.250 179.834 177.584 -0.000 0.000 1.182 123 A CA 2.212 54.250 52.037 0.002 0.000 0.649 123 A CB -0.855 18.147 19.000 0.004 0.000 0.818 123 A HN 0.247 nan 8.150 nan 0.000 0.458 124 V N -0.860 119.053 119.914 -0.001 0.000 2.283 124 V HA -0.194 3.926 4.120 -0.000 0.000 0.243 124 V C 2.698 178.786 176.094 -0.010 0.000 1.039 124 V CA 2.357 64.653 62.300 -0.006 0.000 1.016 124 V CB -1.307 30.512 31.823 -0.007 0.000 0.650 124 V HN 0.618 nan 8.190 nan 0.000 0.449 125 T N 0.756 115.305 114.554 -0.007 0.000 2.685 125 T HA -0.288 4.062 4.350 -0.000 0.000 0.268 125 T C 1.995 176.690 174.700 -0.008 0.000 1.034 125 T CA 1.874 63.968 62.100 -0.009 0.000 1.149 125 T CB -0.507 68.358 68.868 -0.004 0.000 0.860 125 T HN 0.579 nan 8.240 nan 0.000 0.449 126 A N 1.622 124.440 122.820 -0.005 0.000 1.845 126 A HA 0.159 4.479 4.320 -0.000 0.000 0.215 126 A C 2.736 180.317 177.584 -0.005 0.000 1.195 126 A CA 1.941 53.976 52.037 -0.003 0.000 0.616 126 A CB -1.349 17.650 19.000 -0.001 0.000 0.832 126 A HN 0.530 nan 8.150 nan 0.000 0.443 127 A N -0.665 122.152 122.820 -0.005 0.000 1.986 127 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 127 A C 2.200 179.778 177.584 -0.011 0.000 1.171 127 A CA 2.023 54.056 52.037 -0.006 0.000 0.640 127 A CB -0.895 18.101 19.000 -0.007 0.000 0.811 127 A HN 0.436 nan 8.150 nan 0.000 0.451 128 V N -0.057 119.848 119.914 -0.016 0.000 2.323 128 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 128 V C 2.526 178.611 176.094 -0.015 0.000 1.041 128 V CA 1.900 64.187 62.300 -0.021 0.000 1.025 128 V CB -0.715 31.090 31.823 -0.029 0.000 0.656 128 V HN 0.499 nan 8.190 nan 0.000 0.451 129 E N 0.034 120.228 120.200 -0.011 0.000 2.058 129 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 129 E C 2.232 178.829 176.600 -0.005 0.000 0.997 129 E CA 1.155 57.551 56.400 -0.007 0.000 0.801 129 E CB -0.458 29.239 29.700 -0.004 0.000 0.746 129 E HN 0.548 nan 8.360 nan 0.000 0.450 130 E N 0.758 120.956 120.200 -0.004 0.000 2.113 130 E HA -0.217 4.133 4.350 -0.000 0.000 0.210 130 E C 2.384 178.983 176.600 -0.001 0.000 1.040 130 E CA 1.043 57.443 56.400 -0.001 0.000 0.847 130 E CB -0.520 29.180 29.700 0.001 0.000 0.755 130 E HN 0.321 nan 8.360 nan 0.000 0.459 131 L N 0.348 121.569 121.223 -0.005 0.000 2.017 131 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 131 L C 2.461 179.328 176.870 -0.004 0.000 1.073 131 L CA 1.315 56.152 54.840 -0.005 0.000 0.745 131 L CB -0.561 41.492 42.059 -0.011 0.000 0.894 131 L HN 0.070 nan 8.230 nan 0.000 0.432 132 K N 0.368 120.764 120.400 -0.007 0.000 2.286 132 K HA -0.168 4.152 4.320 -0.000 0.000 0.203 132 K C 2.149 178.748 176.600 -0.001 0.000 1.045 132 K CA 1.180 57.464 56.287 -0.005 0.000 0.935 132 K CB -0.238 32.258 32.500 -0.006 0.000 0.737 132 K HN 0.343 nan 8.250 nan 0.000 0.460 133 A N 1.223 124.043 122.820 0.000 0.000 1.832 133 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 133 A C 1.939 179.526 177.584 0.004 0.000 1.204 133 A CA 1.145 53.183 52.037 0.003 0.000 0.606 133 A CB -0.514 18.488 19.000 0.004 0.000 0.849 133 A HN 0.102 nan 8.150 nan 0.000 0.445 134 L N 0.632 121.859 121.223 0.006 0.000 2.265 134 L HA -0.006 4.334 4.340 -0.000 0.000 0.215 134 L C 1.681 178.555 176.870 0.007 0.000 1.117 134 L CA 1.035 55.880 54.840 0.008 0.000 0.782 134 L CB -1.057 41.008 42.059 0.010 0.000 0.914 134 L HN 0.309 nan 8.230 nan 0.000 0.441 135 S N 0.001 115.703 115.700 0.004 0.000 2.546 135 S HA 0.309 4.779 4.470 -0.000 0.000 0.290 135 S C -0.237 174.367 174.600 0.005 0.000 1.290 135 S CA -0.405 57.797 58.200 0.004 0.000 1.069 135 S CB 0.178 63.379 63.200 0.001 0.000 0.846 135 S HN 0.144 nan 8.310 nan 0.000 0.495 136 V N 3.208 123.125 119.914 0.006 0.000 2.789 136 V HA 0.702 4.822 4.120 -0.000 0.000 0.311 136 V C -2.945 173.152 176.094 0.006 0.000 1.073 136 V CA -2.789 59.515 62.300 0.006 0.000 0.921 136 V CB 1.219 33.046 31.823 0.008 0.000 1.009 136 V HN 0.662 nan 8.190 nan 0.000 0.426 137 P HA 0.115 nan 4.420 nan 0.000 0.261 137 P C -0.473 176.830 177.300 0.005 0.000 1.183 137 P CA 0.235 63.338 63.100 0.005 0.000 0.761 137 P CB 0.199 31.901 31.700 0.004 0.000 0.785 138 C N 4.203 123.506 119.300 0.005 0.000 2.239 138 C HA 0.466 4.926 4.460 -0.000 0.000 0.323 138 C C 1.443 176.435 174.990 0.004 0.000 1.205 138 C CA 0.498 59.519 59.018 0.005 0.000 1.584 138 C CB -1.237 26.507 27.740 0.006 0.000 2.201 138 C HN 0.731 nan 8.230 nan 0.000 0.475 139 S N 2.698 118.400 115.700 0.004 0.000 2.930 139 S HA 0.163 4.633 4.470 -0.000 0.000 0.253 139 S C 0.014 174.616 174.600 0.002 0.000 1.083 139 S CA 0.233 58.435 58.200 0.003 0.000 0.836 139 S CB -0.640 62.562 63.200 0.003 0.000 0.814 139 S HN 0.844 nan 8.310 nan 0.000 0.467 140 D N 2.179 122.581 120.400 0.003 0.000 2.399 140 D HA 0.363 5.003 4.640 -0.000 0.000 0.241 140 D C 0.837 177.138 176.300 0.002 0.000 1.133 140 D CA 0.029 54.030 54.000 0.002 0.000 0.890 140 D CB 0.760 41.562 40.800 0.002 0.000 1.201 140 D HN 0.048 nan 8.370 nan 0.000 0.432 141 S N 0.994 116.694 115.700 0.001 0.000 2.400 141 S HA -0.240 4.230 4.470 -0.000 0.000 0.232 141 S C 1.587 176.188 174.600 0.001 0.000 1.025 141 S CA 1.204 59.404 58.200 0.001 0.000 0.993 141 S CB -0.369 62.831 63.200 0.000 0.000 0.808 141 S HN 0.645 nan 8.310 nan 0.000 0.478 142 K N 1.590 121.990 120.400 0.001 0.000 1.987 142 K HA -0.186 4.134 4.320 -0.000 0.000 0.216 142 K C 2.324 178.925 176.600 0.001 0.000 1.051 142 K CA 1.464 57.752 56.287 0.001 0.000 0.942 142 K CB -0.510 31.991 32.500 0.001 0.000 0.722 142 K HN 0.282 nan 8.250 nan 0.000 0.444 143 A N 1.569 124.390 122.820 0.002 0.000 1.884 143 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 143 A C 2.184 179.770 177.584 0.004 0.000 1.197 143 A CA 2.118 54.157 52.037 0.003 0.000 0.637 143 A CB -0.882 18.120 19.000 0.004 0.000 0.827 143 A HN 0.456 nan 8.150 nan 0.000 0.450 144 I N -0.398 120.174 120.570 0.004 0.000 2.248 144 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 144 I C 2.874 178.994 176.117 0.005 0.000 1.107 144 I CA 1.167 62.470 61.300 0.005 0.000 1.373 144 I CB -0.339 37.663 38.000 0.003 0.000 1.055 144 I HN 0.411 nan 8.210 nan 0.000 0.418 145 A N -0.098 122.724 122.820 0.003 0.000 1.968 145 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 145 A C 2.224 179.810 177.584 0.002 0.000 1.169 145 A CA 1.159 53.198 52.037 0.003 0.000 0.638 145 A CB -0.412 18.588 19.000 0.001 0.000 0.812 145 A HN 0.444 nan 8.150 nan 0.000 0.446 146 Q N -0.377 119.424 119.800 0.002 0.000 2.119 146 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 146 Q C 2.202 178.203 176.000 0.002 0.000 0.972 146 Q CA 1.828 57.631 55.803 0.000 0.000 0.847 146 Q CB -0.392 28.345 28.738 -0.001 0.000 0.903 146 Q HN 0.740 nan 8.270 nan 0.000 0.433 147 V N -2.578 117.339 119.914 0.005 0.000 2.488 147 V HA 0.028 4.148 4.120 -0.000 0.000 0.246 147 V C 1.913 178.014 176.094 0.012 0.000 1.046 147 V CA 1.888 64.193 62.300 0.009 0.000 1.053 147 V CB -1.128 30.702 31.823 0.012 0.000 0.679 147 V HN 0.292 nan 8.190 nan 0.000 0.458 148 G N 0.373 109.181 108.800 0.012 0.000 2.421 148 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 148 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 148 G C 1.565 176.472 174.900 0.011 0.000 1.171 148 G CA 1.636 46.746 45.100 0.015 0.000 0.775 148 G HN 0.489 nan 8.290 nan 0.000 0.543 149 T N 1.155 115.713 114.554 0.006 0.000 2.652 149 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 149 T C 2.309 177.008 174.700 -0.000 0.000 1.039 149 T CA 1.298 63.399 62.100 0.002 0.000 1.153 149 T CB -0.229 68.638 68.868 -0.002 0.000 0.863 149 T HN 0.137 nan 8.240 nan 0.000 0.428 150 I N 0.874 121.443 120.570 -0.001 0.000 2.208 150 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 150 I C 2.625 178.742 176.117 -0.000 0.000 1.097 150 I CA 1.252 62.550 61.300 -0.004 0.000 1.363 150 I CB -0.602 37.395 38.000 -0.005 0.000 1.051 150 I HN 0.146 nan 8.210 nan 0.000 0.413 151 S N 0.454 116.157 115.700 0.006 0.000 2.353 151 S HA -0.076 4.393 4.470 -0.000 0.000 0.222 151 S C 1.646 176.251 174.600 0.007 0.000 1.035 151 S CA 0.941 59.146 58.200 0.010 0.000 1.025 151 S CB -0.619 62.593 63.200 0.020 0.000 0.902 151 S HN 0.512 nan 8.310 nan 0.000 0.440 152 A N 1.803 124.628 122.820 0.009 0.000 3.051 152 A HA 0.287 4.607 4.320 -0.000 0.000 0.257 152 A C 0.497 178.081 177.584 0.001 0.000 1.785 152 A CA -0.007 52.033 52.037 0.007 0.000 1.420 152 A CB -1.755 17.251 19.000 0.009 0.000 1.063 152 A HN 0.781 nan 8.150 nan 0.000 0.630 153 N N 1.002 119.701 118.700 -0.002 0.000 2.718 153 N HA -0.249 4.491 4.740 -0.000 0.000 0.268 153 N C 0.004 175.510 175.510 -0.007 0.000 0.965 153 N CA 0.520 53.567 53.050 -0.005 0.000 0.817 153 N CB -0.584 37.899 38.487 -0.005 0.000 0.914 153 N HN 0.669 nan 8.380 nan 0.000 0.558 154 S N -0.555 115.140 115.700 -0.008 0.000 3.748 154 S HA -0.199 4.271 4.470 -0.000 0.000 0.329 154 S C -0.554 174.041 174.600 -0.008 0.000 1.104 154 S CA 0.864 59.057 58.200 -0.011 0.000 0.954 154 S CB -0.774 62.417 63.200 -0.016 0.000 0.910 154 S HN 0.709 nan 8.310 nan 0.000 0.494 155 D N 0.817 121.214 120.400 -0.004 0.000 2.427 155 D HA 0.288 4.927 4.640 -0.000 0.000 0.226 155 D C 1.088 177.387 176.300 -0.002 0.000 1.076 155 D CA -0.467 53.531 54.000 -0.003 0.000 0.849 155 D CB 0.727 41.526 40.800 -0.001 0.000 1.052 155 D HN 0.438 nan 8.370 nan 0.000 0.515 156 E N 1.281 121.479 120.200 -0.004 0.000 2.085 156 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 156 E C 1.561 178.160 176.600 -0.001 0.000 0.994 156 E CA 1.365 57.763 56.400 -0.003 0.000 0.801 156 E CB 0.147 29.844 29.700 -0.005 0.000 0.743 156 E HN 0.489 nan 8.360 nan 0.000 0.453 157 T N 1.107 115.660 114.554 -0.001 0.000 2.685 157 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 157 T C 2.051 176.752 174.700 0.002 0.000 1.034 157 T CA 1.437 63.537 62.100 -0.000 0.000 1.149 157 T CB -0.340 68.528 68.868 -0.000 0.000 0.860 157 T HN -0.017 nan 8.240 nan 0.000 0.449 158 V N 1.433 121.349 119.914 0.003 0.000 2.221 158 V HA -0.056 4.064 4.120 -0.000 0.000 0.240 158 V C 2.945 179.043 176.094 0.006 0.000 1.041 158 V CA 1.999 64.302 62.300 0.006 0.000 0.991 158 V CB -1.570 30.258 31.823 0.008 0.000 0.634 158 V HN 0.553 nan 8.190 nan 0.000 0.450 159 G N 0.270 109.073 108.800 0.006 0.000 2.545 159 G HA2 -0.428 3.531 3.960 -0.000 0.000 0.222 159 G HA3 -0.428 3.531 3.960 -0.000 0.000 0.222 159 G C 1.548 176.450 174.900 0.003 0.000 1.126 159 G CA 1.753 46.856 45.100 0.005 0.000 0.754 159 G HN 0.502 nan 8.290 nan 0.000 0.583 160 K N 0.231 120.632 120.400 0.002 0.000 1.991 160 K HA -0.047 4.273 4.320 -0.000 0.000 0.212 160 K C 2.326 178.927 176.600 0.001 0.000 1.049 160 K CA 1.327 57.614 56.287 0.001 0.000 0.932 160 K CB -0.940 31.560 32.500 -0.000 0.000 0.717 160 K HN 0.223 nan 8.250 nan 0.000 0.441 161 L N 0.971 122.195 121.223 0.002 0.000 1.989 161 L HA -0.062 4.278 4.340 -0.000 0.000 0.211 161 L C 2.264 179.135 176.870 0.002 0.000 1.071 161 L CA 1.707 56.548 54.840 0.002 0.000 0.749 161 L CB -0.602 41.458 42.059 0.003 0.000 0.890 161 L HN 0.368 nan 8.230 nan 0.000 0.431 162 I N -0.669 119.904 120.570 0.003 0.000 2.091 162 I HA -0.409 3.761 4.170 -0.000 0.000 0.239 162 I C 2.610 178.727 176.117 0.001 0.000 1.061 162 I CA 1.499 62.800 61.300 0.003 0.000 1.317 162 I CB -0.846 37.158 38.000 0.007 0.000 1.031 162 I HN 0.384 nan 8.210 nan 0.000 0.401 163 A N 0.564 123.385 122.820 0.002 0.000 1.903 163 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 163 A C 2.181 179.765 177.584 -0.001 0.000 1.191 163 A CA 2.271 54.309 52.037 0.001 0.000 0.638 163 A CB -0.834 18.166 19.000 0.001 0.000 0.823 163 A HN 0.531 nan 8.150 nan 0.000 0.451 164 E N -0.431 119.768 120.200 -0.001 0.000 2.021 164 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 164 E C 2.434 179.033 176.600 -0.003 0.000 1.015 164 E CA 1.099 57.498 56.400 -0.002 0.000 0.824 164 E CB -0.459 29.240 29.700 -0.002 0.000 0.762 164 E HN 0.619 nan 8.360 nan 0.000 0.454 165 A N 1.798 124.616 122.820 -0.003 0.000 1.863 165 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 165 A C 2.304 179.885 177.584 -0.005 0.000 1.233 165 A CA 2.532 54.567 52.037 -0.004 0.000 0.655 165 A CB -0.907 18.090 19.000 -0.004 0.000 0.839 165 A HN 0.202 nan 8.150 nan 0.000 0.454 166 M N -1.157 118.440 119.600 -0.005 0.000 2.108 166 M HA -0.244 4.236 4.480 -0.000 0.000 0.257 166 M C 1.921 178.219 176.300 -0.004 0.000 1.071 166 M CA 2.265 57.562 55.300 -0.006 0.000 1.093 166 M CB -0.876 31.721 32.600 -0.005 0.000 1.345 166 M HN 0.605 nan 8.290 nan 0.000 0.403 167 D N 0.045 120.443 120.400 -0.003 0.000 2.265 167 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 167 D C 1.742 178.040 176.300 -0.003 0.000 0.977 167 D CA 1.293 55.292 54.000 -0.003 0.000 0.871 167 D CB 0.278 41.077 40.800 -0.002 0.000 0.925 167 D HN 0.108 nan 8.370 nan 0.000 0.485 168 K N -0.492 119.906 120.400 -0.004 0.000 2.218 168 K HA 0.085 4.405 4.320 -0.000 0.000 0.222 168 K C 2.025 178.622 176.600 -0.005 0.000 1.030 168 K CA 1.110 57.395 56.287 -0.005 0.000 0.946 168 K CB -0.760 31.737 32.500 -0.005 0.000 1.000 168 K HN -0.003 nan 8.250 nan 0.000 0.461 169 V N -1.130 118.781 119.914 -0.005 0.000 2.736 169 V HA -0.035 4.085 4.120 -0.000 0.000 0.262 169 V C 1.126 177.217 176.094 -0.004 0.000 1.114 169 V CA 1.606 63.903 62.300 -0.005 0.000 1.133 169 V CB -1.830 29.991 31.823 -0.005 0.000 0.703 169 V HN 0.549 nan 8.190 nan 0.000 0.495 170 G N 0.235 109.032 108.800 -0.004 0.000 2.466 170 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 170 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 170 G C 0.214 175.112 174.900 -0.003 0.000 1.237 170 G CA 0.220 45.318 45.100 -0.003 0.000 0.954 170 G HN 0.410 nan 8.290 nan 0.000 0.580 171 K N 0.413 120.812 120.400 -0.002 0.000 2.202 171 K HA 0.196 4.516 4.320 -0.000 0.000 0.201 171 K C 1.718 178.316 176.600 -0.003 0.000 1.051 171 K CA 1.218 57.504 56.287 -0.002 0.000 0.977 171 K CB 0.302 32.801 32.500 -0.000 0.000 0.792 171 K HN 0.511 nan 8.250 nan 0.000 0.469 172 E N 1.018 121.217 120.200 -0.001 0.000 2.465 172 E HA 0.085 4.435 4.350 -0.000 0.000 0.195 172 E C 0.219 176.819 176.600 -0.000 0.000 1.028 172 E CA -0.444 55.957 56.400 0.000 0.000 0.899 172 E CB 0.931 30.633 29.700 0.003 0.000 1.032 172 E HN 0.185 nan 8.360 nan 0.000 0.468 173 G N 1.065 109.863 108.800 -0.002 0.000 2.432 173 G HA2 0.302 4.262 3.960 -0.000 0.000 0.257 173 G HA3 0.302 4.262 3.960 -0.000 0.000 0.257 173 G C 0.103 175.000 174.900 -0.005 0.000 1.238 173 G CA -0.409 44.689 45.100 -0.002 0.000 0.838 173 G HN -0.045 nan 8.290 nan 0.000 0.547 174 V N 2.480 122.392 119.914 -0.002 0.000 2.644 174 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 174 V C 0.297 176.386 176.094 -0.009 0.000 1.053 174 V CA -0.294 62.003 62.300 -0.005 0.000 0.987 174 V CB 1.246 33.072 31.823 0.005 0.000 1.006 174 V HN 0.555 nan 8.190 nan 0.000 0.472 175 I N 3.581 124.139 120.570 -0.019 0.000 2.534 175 I HA 0.581 4.751 4.170 -0.000 0.000 0.288 175 I C -0.251 175.853 176.117 -0.022 0.000 1.077 175 I CA -0.290 60.999 61.300 -0.019 0.000 1.051 175 I CB 2.419 40.405 38.000 -0.024 0.000 1.234 175 I HN 0.780 nan 8.210 nan 0.000 0.425 176 T N 2.227 116.776 114.554 -0.007 0.000 2.896 176 T HA 0.702 5.052 4.350 -0.000 0.000 0.297 176 T C -1.087 173.617 174.700 0.007 0.000 1.108 176 T CA -0.879 61.221 62.100 -0.000 0.000 1.004 176 T CB 2.325 71.198 68.868 0.008 0.000 1.159 176 T HN 0.336 nan 8.240 nan 0.000 0.499 177 V N 0.944 120.867 119.914 0.015 0.000 2.555 177 V HA 0.755 4.875 4.120 -0.000 0.000 0.302 177 V C -1.178 174.926 176.094 0.018 0.000 1.038 177 V CA -0.408 61.903 62.300 0.018 0.000 0.887 177 V CB 1.445 33.283 31.823 0.025 0.000 0.991 177 V HN 1.088 nan 8.190 nan 0.000 0.434 178 E N 3.555 123.764 120.200 0.015 0.000 2.392 178 E HA 0.448 4.798 4.350 -0.000 0.000 0.269 178 E C -1.615 174.992 176.600 0.012 0.000 0.924 178 E CA -0.995 55.413 56.400 0.014 0.000 0.784 178 E CB 1.601 31.308 29.700 0.013 0.000 1.292 178 E HN 0.668 nan 8.360 nan 0.000 0.447 179 D N 1.127 121.534 120.400 0.011 0.000 2.424 179 D HA 0.178 4.818 4.640 -0.000 0.000 0.244 179 D C 0.145 176.450 176.300 0.008 0.000 1.134 179 D CA 0.313 54.318 54.000 0.010 0.000 0.881 179 D CB 1.225 42.031 40.800 0.009 0.000 1.191 179 D HN 0.493 nan 8.370 nan 0.000 0.445 180 G N 0.258 109.063 108.800 0.007 0.000 2.557 180 G HA2 0.305 4.265 3.960 -0.000 0.000 0.292 180 G HA3 0.305 4.265 3.960 -0.000 0.000 0.292 180 G C 1.110 176.013 174.900 0.005 0.000 1.237 180 G CA -0.082 45.022 45.100 0.006 0.000 0.978 180 G HN 0.430 nan 8.290 nan 0.000 0.498 181 T N -1.819 112.737 114.554 0.004 0.000 2.818 181 T HA 0.216 4.566 4.350 -0.000 0.000 0.246 181 T C 1.808 176.510 174.700 0.003 0.000 1.036 181 T CA 1.103 63.205 62.100 0.003 0.000 1.160 181 T CB -0.791 68.078 68.868 0.002 0.000 0.869 181 T HN 0.734 nan 8.240 nan 0.000 0.419 182 G N 0.893 109.694 108.800 0.002 0.000 2.529 182 G HA2 0.430 4.390 3.960 -0.000 0.000 0.234 182 G HA3 0.430 4.390 3.960 -0.000 0.000 0.234 182 G C 0.607 175.508 174.900 0.002 0.000 1.527 182 G CA -0.174 44.927 45.100 0.001 0.000 1.062 182 G HN 0.463 nan 8.290 nan 0.000 0.558 183 L N -0.718 120.505 121.223 0.001 0.000 2.701 183 L HA 0.230 4.570 4.340 -0.000 0.000 0.238 183 L C 0.316 177.187 176.870 0.001 0.000 1.106 183 L CA 0.043 54.883 54.840 0.001 0.000 0.898 183 L CB 0.205 42.265 42.059 0.000 0.000 1.188 183 L HN 0.302 nan 8.230 nan 0.000 0.508 184 Q N 0.521 120.322 119.800 0.001 0.000 2.235 184 Q HA 0.246 4.586 4.340 -0.000 0.000 0.250 184 Q C -0.687 175.314 176.000 0.001 0.000 0.909 184 Q CA -0.331 55.473 55.803 0.001 0.000 0.910 184 Q CB 0.956 29.694 28.738 -0.000 0.000 1.223 184 Q HN -0.020 nan 8.270 nan 0.000 0.432 185 D N 1.714 122.115 120.400 0.002 0.000 2.372 185 D HA 0.081 4.721 4.640 -0.000 0.000 0.243 185 D C -0.461 175.840 176.300 0.002 0.000 1.121 185 D CA 0.209 54.211 54.000 0.003 0.000 0.898 185 D CB 0.960 41.762 40.800 0.003 0.000 1.202 185 D HN 0.501 nan 8.370 nan 0.000 0.428 186 E N 1.010 121.211 120.200 0.002 0.000 2.308 186 E HA 0.353 4.703 4.350 -0.000 0.000 0.275 186 E C -1.750 174.851 176.600 0.001 0.000 0.890 186 E CA -0.840 55.561 56.400 0.001 0.000 0.754 186 E CB 1.746 31.446 29.700 0.001 0.000 1.207 186 E HN 0.125 nan 8.360 nan 0.000 0.426 187 L N 4.033 125.256 121.223 -0.000 0.000 2.287 187 L HA 0.514 4.853 4.340 -0.000 0.000 0.287 187 L C -1.529 175.340 176.870 -0.002 0.000 1.022 187 L CA -0.206 54.633 54.840 -0.000 0.000 0.814 187 L CB 1.337 43.396 42.059 -0.001 0.000 1.217 187 L HN 0.433 nan 8.230 nan 0.000 0.420 188 D N 4.087 124.486 120.400 -0.002 0.000 2.362 188 D HA 0.564 5.204 4.640 -0.000 0.000 0.247 188 D C -0.993 175.305 176.300 -0.004 0.000 1.050 188 D CA -0.014 53.984 54.000 -0.003 0.000 0.839 188 D CB 2.481 43.279 40.800 -0.003 0.000 1.283 188 D HN 0.271 nan 8.370 nan 0.000 0.477 189 V N 2.213 122.123 119.914 -0.006 0.000 2.409 189 V HA 0.229 4.349 4.120 -0.000 0.000 0.290 189 V C 0.082 176.170 176.094 -0.010 0.000 1.017 189 V CA -0.885 61.411 62.300 -0.007 0.000 0.841 189 V CB 1.826 33.645 31.823 -0.007 0.000 1.003 189 V HN 0.298 nan 8.190 nan 0.000 0.426 190 V N 4.634 124.543 119.914 -0.010 0.000 2.555 190 V HA 0.300 4.420 4.120 -0.000 0.000 0.286 190 V C 0.294 176.378 176.094 -0.017 0.000 1.044 190 V CA -0.244 62.047 62.300 -0.015 0.000 1.026 190 V CB 1.165 32.981 31.823 -0.012 0.000 0.981 190 V HN 0.770 nan 8.190 nan 0.000 0.480 191 E N 3.039 123.225 120.200 -0.023 0.000 2.166 191 E HA 0.592 4.942 4.350 -0.000 0.000 0.275 191 E C 0.662 177.243 176.600 -0.031 0.000 0.941 191 E CA 0.647 57.033 56.400 -0.024 0.000 0.784 191 E CB 1.711 31.397 29.700 -0.024 0.000 1.115 191 E HN 0.912 nan 8.360 nan 0.000 0.399 192 G N 2.712 111.496 108.800 -0.027 0.000 2.514 192 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.265 192 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.265 192 G C -0.275 174.603 174.900 -0.036 0.000 1.150 192 G CA 0.356 45.437 45.100 -0.032 0.000 0.959 192 G HN 0.472 nan 8.290 nan 0.000 0.556 193 M N 1.212 120.778 119.600 -0.056 0.000 2.364 193 M HA 0.756 5.236 4.480 -0.000 0.000 0.334 193 M C -0.467 175.754 176.300 -0.131 0.000 1.107 193 M CA -0.279 54.978 55.300 -0.070 0.000 0.988 193 M CB 1.644 34.204 32.600 -0.067 0.000 1.673 193 M HN 1.034 nan 8.290 nan 0.000 0.441 194 Q N 3.967 123.685 119.800 -0.138 0.000 2.574 194 Q HA 0.463 4.803 4.340 -0.000 0.000 0.265 194 Q C -2.206 173.734 176.000 -0.100 0.000 0.975 194 Q CA -0.613 55.055 55.803 -0.224 0.000 0.923 194 Q CB 1.322 29.978 28.738 -0.136 0.000 1.518 194 Q HN 0.726 nan 8.270 nan 0.000 0.401 195 F N 0.554 120.505 119.950 0.001 0.000 2.814 195 F HA 0.587 5.114 4.527 -0.000 0.000 0.353 195 F C -0.022 175.780 175.800 0.004 0.000 1.177 195 F CA -1.237 56.767 58.000 0.006 0.000 1.036 195 F CB 0.225 39.232 39.000 0.011 0.000 1.455 195 F HN 0.435 nan 8.300 nan 0.000 0.520 196 D N -0.577 120.073 120.400 0.418 0.000 3.060 196 D HA 0.289 4.929 4.640 -0.000 0.000 0.245 196 D C 0.152 176.564 176.300 0.187 0.000 1.274 196 D CA 0.046 54.181 54.000 0.225 0.000 0.864 196 D CB -0.426 40.440 40.800 0.110 0.000 1.073 196 D HN 0.821 nan 8.370 nan 0.000 0.473 197 R N 0.032 120.750 120.500 0.363 0.000 2.480 197 R HA 0.680 5.020 4.340 -0.000 0.000 0.306 197 R C 0.287 176.728 176.300 0.235 0.000 0.958 197 R CA -0.386 55.838 56.100 0.207 0.000 0.861 197 R CB 0.981 31.302 30.300 0.036 0.000 1.171 197 R HN 0.285 nan 8.270 nan 0.000 0.445 198 G N 0.584 109.472 108.800 0.145 0.000 2.535 198 G HA2 0.515 4.475 3.960 -0.000 0.000 0.303 198 G HA3 0.515 4.475 3.960 -0.000 0.000 0.303 198 G C -0.354 174.684 174.900 0.230 0.000 1.237 198 G CA -0.371 44.801 45.100 0.121 0.000 0.986 198 G HN 0.919 nan 8.290 nan 0.000 0.494 199 Y N -0.198 120.148 120.300 0.077 0.000 2.304 199 Y HA 0.510 5.060 4.550 -0.000 0.000 0.328 199 Y C 0.602 176.545 175.900 0.072 0.000 1.123 199 Y CA -2.247 55.898 58.100 0.075 0.000 1.218 199 Y CB 0.664 39.166 38.460 0.069 0.000 1.207 199 Y HN 0.122 nan 8.280 nan 0.000 0.495 200 L N 2.650 123.977 121.223 0.172 0.000 2.179 200 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 200 L C 1.369 178.223 176.870 -0.026 0.000 1.096 200 L CA 1.432 56.314 54.840 0.069 0.000 0.779 200 L CB -0.828 41.266 42.059 0.058 0.000 0.922 200 L HN 0.763 nan 8.230 nan 0.000 0.443 201 S N 0.038 115.688 115.700 -0.084 0.000 3.489 201 S HA 0.271 4.741 4.470 -0.000 0.000 0.227 201 S C -1.552 172.786 174.600 -0.436 0.000 1.360 201 S CA -1.179 56.952 58.200 -0.115 0.000 0.934 201 S CB 0.038 63.208 63.200 -0.049 0.000 1.410 201 S HN 0.098 nan 8.310 nan 0.000 0.483 202 P HA -0.184 nan 4.420 nan 0.000 0.219 202 P C 0.531 177.548 177.300 -0.472 0.000 1.146 202 P CA 1.162 63.611 63.100 -1.085 0.000 0.808 202 P CB -0.186 31.209 31.700 -0.510 0.000 0.779 203 Y N -0.574 119.546 120.300 -0.301 0.000 2.421 203 Y HA 0.004 4.554 4.550 -0.000 0.000 0.292 203 Y C 2.666 178.515 175.900 -0.086 0.000 1.136 203 Y CA 0.622 58.641 58.100 -0.136 0.000 1.255 203 Y CB -1.977 36.427 38.460 -0.094 0.000 0.991 203 Y HN -0.102 nan 8.280 nan 0.000 0.552 204 F N 1.189 121.174 119.950 0.059 0.000 2.811 204 F HA 0.342 4.869 4.527 -0.000 0.000 0.292 204 F C 0.549 176.440 175.800 0.152 0.000 1.240 204 F CA -0.843 57.206 58.000 0.082 0.000 1.422 204 F CB -1.879 37.160 39.000 0.065 0.000 1.045 204 F HN -0.053 nan 8.300 nan 0.000 0.512 205 I N 1.673 122.348 120.570 0.174 0.000 2.533 205 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 205 I C 1.379 177.569 176.117 0.121 0.000 1.109 205 I CA -0.106 61.326 61.300 0.220 0.000 1.412 205 I CB 0.688 38.807 38.000 0.199 0.000 1.396 205 I HN 0.530 nan 8.210 nan 0.000 0.543 206 N N 6.770 125.529 118.700 0.098 0.000 2.141 206 N HA -0.090 4.650 4.740 -0.000 0.000 0.187 206 N C 1.361 176.896 175.510 0.041 0.000 1.068 206 N CA 1.356 54.441 53.050 0.058 0.000 0.906 206 N CB 0.203 38.715 38.487 0.040 0.000 1.069 206 N HN 0.606 nan 8.380 nan 0.000 0.461 207 K N 0.397 120.812 120.400 0.026 0.000 2.183 207 K HA 0.184 4.504 4.320 -0.000 0.000 0.218 207 K C -1.522 175.087 176.600 0.015 0.000 1.025 207 K CA -0.246 56.051 56.287 0.017 0.000 0.944 207 K CB -0.901 31.603 32.500 0.006 0.000 0.936 207 K HN 0.167 nan 8.250 nan 0.000 0.460 208 P HA 0.052 nan 4.420 nan 0.000 0.275 208 P C -0.789 176.517 177.300 0.009 0.000 1.270 208 P CA -0.024 63.077 63.100 0.003 0.000 0.791 208 P CB 0.524 32.219 31.700 -0.008 0.000 1.089 209 E N -0.963 119.240 120.200 0.005 0.000 2.849 209 E HA 0.362 4.712 4.350 -0.000 0.000 0.257 209 E C 0.224 176.823 176.600 -0.001 0.000 1.306 209 E CA -0.042 56.364 56.400 0.010 0.000 1.058 209 E CB -0.469 29.235 29.700 0.007 0.000 1.249 209 E HN 0.409 nan 8.360 nan 0.000 0.638 210 T N -0.602 113.954 114.554 0.003 0.000 5.658 210 T HA -0.116 4.234 4.350 -0.000 0.000 0.271 210 T C 0.805 175.477 174.700 -0.048 0.000 2.170 210 T CA 1.129 63.220 62.100 -0.016 0.000 3.657 210 T CB -1.726 67.122 68.868 -0.032 0.000 0.929 210 T HN 1.102 nan 8.240 nan 0.000 1.134 211 G N 0.174 108.979 108.800 0.008 0.000 2.136 211 G HA2 0.093 4.053 3.960 -0.000 0.000 0.242 211 G HA3 0.093 4.053 3.960 -0.000 0.000 0.242 211 G C 0.201 175.014 174.900 -0.145 0.000 0.989 211 G CA 0.371 45.466 45.100 -0.010 0.000 0.682 211 G HN 1.989 nan 8.290 nan 0.000 0.522 212 A N -0.022 122.764 122.820 -0.058 0.000 2.505 212 A HA 0.562 4.882 4.320 -0.000 0.000 0.271 212 A C 0.650 178.230 177.584 -0.007 0.000 1.112 212 A CA 0.700 52.704 52.037 -0.055 0.000 0.781 212 A CB 0.387 19.367 19.000 -0.032 0.000 1.059 212 A HN 1.227 nan 8.150 nan 0.000 0.508 213 V N 3.346 123.248 119.914 -0.021 0.000 2.547 213 V HA 0.450 4.570 4.120 -0.000 0.000 0.299 213 V C 0.189 176.282 176.094 -0.001 0.000 1.040 213 V CA -0.466 61.849 62.300 0.025 0.000 0.913 213 V CB 1.572 33.433 31.823 0.063 0.000 0.992 213 V HN 0.928 nan 8.190 nan 0.000 0.449 214 E N 4.075 124.279 120.200 0.006 0.000 3.544 214 E HA 0.295 4.645 4.350 -0.000 0.000 0.264 214 E C -1.161 175.433 176.600 -0.010 0.000 1.225 214 E CA -0.344 56.049 56.400 -0.011 0.000 1.045 214 E CB 1.182 30.874 29.700 -0.014 0.000 1.338 214 E HN 0.554 nan 8.360 nan 0.000 0.395 215 L N 2.014 123.231 121.223 -0.009 0.000 2.565 215 L HA 0.108 4.448 4.340 -0.000 0.000 0.275 215 L C 0.609 177.453 176.870 -0.043 0.000 1.137 215 L CA 0.066 54.896 54.840 -0.016 0.000 0.915 215 L CB -0.294 41.761 42.059 -0.007 0.000 1.232 215 L HN 0.284 nan 8.230 nan 0.000 0.473 216 E N 3.324 123.497 120.200 -0.045 0.000 2.299 216 E HA 0.019 4.369 4.350 -0.000 0.000 0.272 216 E C 0.638 177.178 176.600 -0.100 0.000 1.043 216 E CA 0.223 56.586 56.400 -0.061 0.000 0.895 216 E CB 0.631 30.304 29.700 -0.045 0.000 1.011 216 E HN 0.519 nan 8.360 nan 0.000 0.432 217 S N 4.284 119.911 115.700 -0.123 0.000 3.631 217 S HA -0.111 4.359 4.470 -0.000 0.000 0.366 217 S C -2.219 172.183 174.600 -0.331 0.000 0.993 217 S CA 0.339 58.422 58.200 -0.195 0.000 1.167 217 S CB -1.000 62.094 63.200 -0.176 0.000 0.909 217 S HN 0.582 nan 8.310 nan 0.000 0.478 218 P HA 0.405 nan 4.420 nan 0.000 0.277 218 P C -0.289 176.754 177.300 -0.429 0.000 1.276 218 P CA -0.412 62.519 63.100 -0.282 0.000 0.788 218 P CB 0.298 31.938 31.700 -0.099 0.000 1.114 219 F N -0.516 119.439 119.950 0.008 0.000 2.445 219 F HA 0.327 4.853 4.527 -0.000 0.000 0.348 219 F C 0.389 176.196 175.800 0.012 0.000 1.125 219 F CA -0.740 57.264 58.000 0.008 0.000 0.983 219 F CB 0.561 39.566 39.000 0.008 0.000 1.198 219 F HN -0.005 nan 8.300 nan 0.000 0.436 220 I N 4.607 125.283 120.570 0.178 0.000 2.474 220 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 220 I C -0.493 175.691 176.117 0.112 0.000 1.048 220 I CA -0.317 61.052 61.300 0.115 0.000 1.383 220 I CB 0.784 38.829 38.000 0.075 0.000 1.412 220 I HN 0.332 nan 8.210 nan 0.000 0.531 221 L N 7.754 129.031 121.223 0.091 0.000 2.381 221 L HA 0.693 5.033 4.340 -0.000 0.000 0.274 221 L C -1.449 175.456 176.870 0.059 0.000 0.988 221 L CA -0.479 54.401 54.840 0.068 0.000 0.824 221 L CB 1.393 43.488 42.059 0.059 0.000 1.263 221 L HN 0.333 nan 8.230 nan 0.000 0.410 222 L N 5.064 126.314 121.223 0.046 0.000 2.365 222 L HA 0.995 5.335 4.340 -0.000 0.000 0.273 222 L C 0.019 176.901 176.870 0.021 0.000 1.000 222 L CA -0.094 54.769 54.840 0.039 0.000 0.819 222 L CB 1.509 43.594 42.059 0.043 0.000 1.284 222 L HN 0.796 nan 8.230 nan 0.000 0.418 223 A N 1.025 123.852 122.820 0.013 0.000 2.539 223 A HA 0.858 5.178 4.320 -0.000 0.000 0.272 223 A C -0.972 176.604 177.584 -0.013 0.000 1.286 223 A CA -0.374 51.663 52.037 -0.001 0.000 0.792 223 A CB 1.049 20.049 19.000 -0.001 0.000 1.355 223 A HN 0.677 nan 8.150 nan 0.000 0.472 224 D N -0.403 119.984 120.400 -0.021 0.000 2.760 224 D HA 0.502 5.142 4.640 -0.000 0.000 0.314 224 D C -0.025 176.252 176.300 -0.038 0.000 1.464 224 D CA 0.926 54.904 54.000 -0.036 0.000 0.797 224 D CB 0.946 41.724 40.800 -0.038 0.000 1.149 224 D HN 0.825 nan 8.370 nan 0.000 0.455 225 K N -0.778 119.603 120.400 -0.030 0.000 2.615 225 K HA 0.790 5.110 4.320 -0.000 0.000 0.291 225 K C -0.477 176.110 176.600 -0.021 0.000 1.017 225 K CA -0.492 55.778 56.287 -0.028 0.000 0.882 225 K CB 0.274 32.760 32.500 -0.024 0.000 1.522 225 K HN 0.092 nan 8.250 nan 0.000 0.412 226 K N 0.090 120.479 120.400 -0.019 0.000 2.209 226 K HA 0.871 5.191 4.320 -0.000 0.000 0.238 226 K C -0.106 176.487 176.600 -0.010 0.000 1.028 226 K CA 0.365 56.644 56.287 -0.013 0.000 0.935 226 K CB 0.450 32.942 32.500 -0.013 0.000 1.162 226 K HN 0.854 nan 8.250 nan 0.000 0.485 227 I N 0.687 121.253 120.570 -0.008 0.000 2.867 227 I HA 0.293 4.463 4.170 -0.000 0.000 0.282 227 I C 1.393 177.504 176.117 -0.010 0.000 1.437 227 I CA 0.017 61.312 61.300 -0.008 0.000 0.918 227 I CB 0.705 38.702 38.000 -0.006 0.000 1.612 227 I HN 0.813 nan 8.210 nan 0.000 0.592 228 S N 2.791 118.485 115.700 -0.010 0.000 2.341 228 S HA -0.063 4.407 4.470 -0.000 0.000 0.204 228 S C 1.689 176.281 174.600 -0.013 0.000 1.038 228 S CA 1.769 59.962 58.200 -0.011 0.000 1.013 228 S CB -0.535 62.660 63.200 -0.010 0.000 0.994 228 S HN 0.559 nan 8.310 nan 0.000 0.430 229 N N -0.061 118.631 118.700 -0.012 0.000 2.236 229 N HA 0.484 5.224 4.740 -0.000 0.000 0.196 229 N C 1.319 176.822 175.510 -0.012 0.000 1.114 229 N CA 0.765 53.807 53.050 -0.013 0.000 0.859 229 N CB -0.632 37.848 38.487 -0.012 0.000 0.982 229 N HN 0.962 nan 8.380 nan 0.000 0.493 230 I N 0.248 120.811 120.570 -0.011 0.000 3.492 230 I HA 0.415 4.584 4.170 -0.000 0.000 0.305 230 I C 2.525 178.635 176.117 -0.011 0.000 1.256 230 I CA 1.121 62.415 61.300 -0.011 0.000 1.244 230 I CB -2.591 35.402 38.000 -0.011 0.000 1.001 230 I HN 0.770 nan 8.210 nan 0.000 0.536 231 R N 0.743 121.235 120.500 -0.012 0.000 2.332 231 R HA 0.029 4.369 4.340 -0.000 0.000 0.239 231 R C 1.201 177.495 176.300 -0.011 0.000 1.160 231 R CA 1.596 57.688 56.100 -0.012 0.000 1.020 231 R CB -2.146 28.145 30.300 -0.015 0.000 0.859 231 R HN 1.543 nan 8.270 nan 0.000 0.478 232 E N 0.257 120.450 120.200 -0.011 0.000 2.493 232 E HA 0.382 4.732 4.350 -0.000 0.000 0.255 232 E C 0.802 177.395 176.600 -0.011 0.000 0.999 232 E CA 0.787 57.180 56.400 -0.011 0.000 0.934 232 E CB -0.552 29.142 29.700 -0.011 0.000 0.940 232 E HN 1.204 nan 8.360 nan 0.000 0.473 233 M N -0.659 118.934 119.600 -0.012 0.000 5.720 233 M HA 0.014 4.494 4.480 -0.000 0.000 0.685 233 M C 0.432 176.723 176.300 -0.014 0.000 2.399 233 M CA -0.075 55.217 55.300 -0.013 0.000 0.334 233 M CB -0.994 31.599 32.600 -0.011 0.000 1.967 233 M HN 0.330 nan 8.290 nan 0.000 0.745 234 L N 2.227 123.442 121.223 -0.013 0.000 2.197 234 L HA -0.042 4.298 4.340 -0.000 0.000 0.215 234 L C -0.470 176.390 176.870 -0.017 0.000 1.095 234 L CA 2.540 57.372 54.840 -0.013 0.000 0.764 234 L CB -2.144 39.908 42.059 -0.012 0.000 0.897 234 L HN 0.386 nan 8.230 nan 0.000 0.436 235 P HA -0.176 nan 4.420 nan 0.000 0.213 235 P C 1.870 179.150 177.300 -0.034 0.000 1.170 235 P CA 1.715 64.800 63.100 -0.025 0.000 0.902 235 P CB -0.028 31.657 31.700 -0.025 0.000 0.789 236 V N 0.839 120.731 119.914 -0.036 0.000 2.332 236 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 236 V C 2.832 178.899 176.094 -0.046 0.000 1.055 236 V CA 1.582 63.852 62.300 -0.050 0.000 1.038 236 V CB -1.441 30.358 31.823 -0.041 0.000 0.651 236 V HN 0.034 nan 8.190 nan 0.000 0.450 237 L N 0.616 121.824 121.223 -0.025 0.000 1.932 237 L HA -0.232 4.108 4.340 -0.000 0.000 0.217 237 L C 2.972 179.834 176.870 -0.013 0.000 1.077 237 L CA 2.672 57.505 54.840 -0.012 0.000 0.765 237 L CB -0.912 41.144 42.059 -0.005 0.000 0.888 237 L HN 0.433 nan 8.230 nan 0.000 0.433 238 E N 0.031 120.223 120.200 -0.014 0.000 2.147 238 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 238 E C 2.040 178.628 176.600 -0.020 0.000 1.005 238 E CA 1.914 58.307 56.400 -0.011 0.000 0.810 238 E CB -1.300 28.393 29.700 -0.012 0.000 0.736 238 E HN 0.798 nan 8.360 nan 0.000 0.460 239 A N 0.070 122.866 122.820 -0.041 0.000 1.986 239 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 239 A C 2.689 180.230 177.584 -0.072 0.000 1.171 239 A CA 2.039 54.037 52.037 -0.065 0.000 0.640 239 A CB -0.362 18.578 19.000 -0.099 0.000 0.811 239 A HN 0.566 nan 8.150 nan 0.000 0.451 240 V N -0.918 118.963 119.914 -0.054 0.000 2.500 240 V HA -0.038 4.082 4.120 -0.000 0.000 0.243 240 V C 2.941 179.072 176.094 0.062 0.000 1.039 240 V CA 1.258 63.562 62.300 0.008 0.000 1.053 240 V CB -1.055 30.807 31.823 0.065 0.000 0.695 240 V HN 0.576 nan 8.190 nan 0.000 0.463 241 A N 0.457 123.299 122.820 0.036 0.000 1.986 241 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 241 A C 2.293 179.897 177.584 0.034 0.000 1.171 241 A CA 2.252 54.311 52.037 0.036 0.000 0.640 241 A CB -0.468 18.543 19.000 0.019 0.000 0.811 241 A HN 0.407 nan 8.150 nan 0.000 0.451 242 K N 0.262 120.675 120.400 0.022 0.000 1.965 242 K HA -0.067 4.253 4.320 -0.000 0.000 0.214 242 K C 2.156 178.780 176.600 0.039 0.000 1.046 242 K CA 1.752 58.050 56.287 0.018 0.000 0.944 242 K CB -0.947 31.552 32.500 -0.002 0.000 0.726 242 K HN 0.327 nan 8.250 nan 0.000 0.441 243 A N 0.049 122.902 122.820 0.055 0.000 2.032 243 A HA -0.061 4.259 4.320 -0.000 0.000 0.221 243 A C 1.507 179.165 177.584 0.124 0.000 1.165 243 A CA 2.273 54.377 52.037 0.110 0.000 0.645 243 A CB -0.968 18.149 19.000 0.194 0.000 0.807 243 A HN 0.786 nan 8.150 nan 0.000 0.453 244 G N -1.757 107.110 108.800 0.111 0.000 2.160 244 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 244 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 244 G C -0.010 174.945 174.900 0.092 0.000 1.022 244 G CA 0.528 45.678 45.100 0.084 0.000 0.741 244 G HN 0.483 nan 8.290 nan 0.000 0.508 245 K N 0.561 121.057 120.400 0.160 0.000 2.156 245 K HA 0.547 4.867 4.320 -0.000 0.000 0.250 245 K C -2.038 174.615 176.600 0.089 0.000 0.955 245 K CA -2.025 54.312 56.287 0.082 0.000 0.855 245 K CB 2.126 34.608 32.500 -0.029 0.000 1.101 245 K HN 0.157 nan 8.250 nan 0.000 0.434 246 P HA 0.147 nan 4.420 nan 0.000 0.273 246 P C -0.634 176.704 177.300 0.064 0.000 1.250 246 P CA -0.468 62.648 63.100 0.027 0.000 0.793 246 P CB 0.823 32.517 31.700 -0.010 0.000 1.011 247 L N 1.763 123.033 121.223 0.080 0.000 2.431 247 L HA 0.436 4.776 4.340 -0.000 0.000 0.266 247 L C -1.103 175.817 176.870 0.084 0.000 0.978 247 L CA -1.055 53.853 54.840 0.112 0.000 0.822 247 L CB 1.929 44.068 42.059 0.132 0.000 1.310 247 L HN 0.300 nan 8.230 nan 0.000 0.409 248 L N 5.009 126.284 121.223 0.087 0.000 2.329 248 L HA 0.630 4.970 4.340 -0.000 0.000 0.279 248 L C -1.167 175.756 176.870 0.087 0.000 1.014 248 L CA -0.361 54.525 54.840 0.078 0.000 0.814 248 L CB 1.869 43.963 42.059 0.057 0.000 1.257 248 L HN 0.547 nan 8.230 nan 0.000 0.424 249 I N 4.982 125.606 120.570 0.090 0.000 2.785 249 I HA 0.574 4.744 4.170 -0.000 0.000 0.302 249 I C -0.372 175.804 176.117 0.099 0.000 1.069 249 I CA -0.344 61.006 61.300 0.083 0.000 1.045 249 I CB 2.188 40.228 38.000 0.066 0.000 1.236 249 I HN 0.406 nan 8.210 nan 0.000 0.429 250 I N 3.353 123.973 120.570 0.084 0.000 2.644 250 I HA 0.849 5.019 4.170 -0.000 0.000 0.291 250 I C -0.532 175.610 176.117 0.041 0.000 1.180 250 I CA -0.415 60.936 61.300 0.085 0.000 1.040 250 I CB 1.941 40.013 38.000 0.120 0.000 1.255 250 I HN 0.797 nan 8.210 nan 0.000 0.422 251 A N 3.854 126.683 122.820 0.016 0.000 2.415 251 A HA 0.469 4.789 4.320 -0.000 0.000 0.294 251 A C -0.072 177.497 177.584 -0.024 0.000 1.019 251 A CA -0.513 51.520 52.037 -0.006 0.000 0.603 251 A CB 0.673 19.673 19.000 0.000 0.000 1.382 251 A HN 0.594 nan 8.150 nan 0.000 0.483 252 E N 0.007 120.186 120.200 -0.034 0.000 2.233 252 E HA 0.086 4.436 4.350 -0.000 0.000 0.199 252 E C 0.244 176.828 176.600 -0.027 0.000 1.004 252 E CA 2.348 58.722 56.400 -0.042 0.000 0.819 252 E CB -0.026 29.646 29.700 -0.046 0.000 0.738 252 E HN 0.696 nan 8.360 nan 0.000 0.478 253 D N -3.556 116.836 120.400 -0.013 0.000 2.960 253 D HA 0.079 4.719 4.640 -0.000 0.000 0.317 253 D C -1.925 174.377 176.300 0.004 0.000 1.298 253 D CA -0.265 53.734 54.000 -0.002 0.000 0.725 253 D CB 0.375 41.173 40.800 -0.004 0.000 1.281 253 D HN -0.221 nan 8.370 nan 0.000 0.446 254 V N 1.159 121.077 119.914 0.008 0.000 2.697 254 V HA 0.488 4.608 4.120 -0.000 0.000 0.300 254 V C -0.776 175.318 176.094 0.000 0.000 1.115 254 V CA -0.770 61.533 62.300 0.005 0.000 0.912 254 V CB 1.621 33.451 31.823 0.012 0.000 1.024 254 V HN 0.514 nan 8.190 nan 0.000 0.431 255 E N 2.085 122.281 120.200 -0.007 0.000 2.319 255 E HA 0.511 4.861 4.350 -0.000 0.000 0.268 255 E C 1.359 177.945 176.600 -0.023 0.000 1.050 255 E CA 0.555 56.948 56.400 -0.012 0.000 0.878 255 E CB 1.359 31.051 29.700 -0.012 0.000 1.066 255 E HN 0.714 nan 8.360 nan 0.000 0.406 256 G N 1.711 110.494 108.800 -0.029 0.000 2.505 256 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.220 256 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.220 256 G C 1.278 176.144 174.900 -0.057 0.000 1.145 256 G CA 0.956 46.023 45.100 -0.054 0.000 0.761 256 G HN 0.600 nan 8.290 nan 0.000 0.571 257 E N 1.154 121.330 120.200 -0.040 0.000 2.095 257 E HA -0.289 4.060 4.350 -0.000 0.000 0.212 257 E C 2.758 179.334 176.600 -0.040 0.000 1.044 257 E CA 1.919 58.297 56.400 -0.037 0.000 0.857 257 E CB -0.576 29.108 29.700 -0.025 0.000 0.764 257 E HN 0.340 nan 8.360 nan 0.000 0.462 258 A N 1.001 123.802 122.820 -0.033 0.000 1.873 258 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 258 A C 2.600 180.159 177.584 -0.043 0.000 1.186 258 A CA 1.501 53.520 52.037 -0.030 0.000 0.616 258 A CB -0.782 18.207 19.000 -0.019 0.000 0.823 258 A HN 0.306 nan 8.150 nan 0.000 0.442 259 L N -0.532 120.659 121.223 -0.053 0.000 1.956 259 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 259 L C 3.109 179.905 176.870 -0.124 0.000 1.073 259 L CA 1.343 56.134 54.840 -0.081 0.000 0.762 259 L CB -1.011 40.995 42.059 -0.089 0.000 0.889 259 L HN 0.443 nan 8.230 nan 0.000 0.433 260 A N -0.121 122.617 122.820 -0.138 0.000 1.870 260 A HA -0.401 3.919 4.320 -0.000 0.000 0.219 260 A C 2.426 179.939 177.584 -0.119 0.000 1.286 260 A CA 3.410 55.353 52.037 -0.157 0.000 0.682 260 A CB -1.520 17.413 19.000 -0.113 0.000 0.844 260 A HN 0.487 nan 8.150 nan 0.000 0.460 261 T N -1.156 113.351 114.554 -0.078 0.000 2.665 261 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 261 T C 1.807 176.475 174.700 -0.053 0.000 1.035 261 T CA 2.071 64.137 62.100 -0.056 0.000 1.151 261 T CB -0.547 68.298 68.868 -0.039 0.000 0.862 261 T HN 0.493 nan 8.240 nan 0.000 0.438 262 L N 1.358 122.550 121.223 -0.053 0.000 2.043 262 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 262 L C 2.528 179.370 176.870 -0.047 0.000 1.075 262 L CA 1.765 56.581 54.840 -0.039 0.000 0.752 262 L CB -1.056 40.983 42.059 -0.033 0.000 0.891 262 L HN 0.251 nan 8.230 nan 0.000 0.432 263 V N -0.778 119.083 119.914 -0.088 0.000 2.215 263 V HA -0.373 3.747 4.120 -0.000 0.000 0.249 263 V C 2.479 178.542 176.094 -0.051 0.000 1.054 263 V CA 2.196 64.438 62.300 -0.098 0.000 1.012 263 V CB -0.967 30.724 31.823 -0.219 0.000 0.639 263 V HN 0.383 nan 8.190 nan 0.000 0.448 264 V N 0.690 120.570 119.914 -0.057 0.000 2.568 264 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 264 V C 2.264 178.350 176.094 -0.015 0.000 1.072 264 V CA 1.993 64.275 62.300 -0.030 0.000 1.084 264 V CB -1.046 30.757 31.823 -0.032 0.000 0.676 264 V HN 0.572 nan 8.190 nan 0.000 0.469 265 N N 0.936 119.626 118.700 -0.016 0.000 2.106 265 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 265 N C 2.160 177.673 175.510 0.005 0.000 1.029 265 N CA 2.256 55.303 53.050 -0.005 0.000 0.848 265 N CB -0.560 37.924 38.487 -0.005 0.000 1.007 265 N HN 0.707 nan 8.380 nan 0.000 0.423 266 T N -1.293 113.266 114.554 0.007 0.000 2.915 266 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 266 T C 1.986 176.698 174.700 0.020 0.000 1.071 266 T CA 0.774 62.885 62.100 0.018 0.000 1.132 266 T CB -0.012 68.871 68.868 0.025 0.000 0.878 266 T HN -0.103 nan 8.240 nan 0.000 0.479 267 M N 1.863 121.472 119.600 0.014 0.000 2.074 267 M HA 0.223 4.703 4.480 -0.000 0.000 0.258 267 M C 3.078 179.386 176.300 0.014 0.000 1.083 267 M CA 2.098 57.409 55.300 0.017 0.000 1.128 267 M CB -1.119 31.490 32.600 0.014 0.000 1.301 267 M HN 0.366 nan 8.290 nan 0.000 0.417 268 R N 0.200 120.705 120.500 0.009 0.000 2.355 268 R HA 0.196 4.536 4.340 -0.000 0.000 0.219 268 R C 1.605 177.911 176.300 0.010 0.000 1.107 268 R CA 1.432 57.537 56.100 0.008 0.000 1.021 268 R CB -2.169 28.133 30.300 0.004 0.000 0.852 268 R HN 0.883 nan 8.270 nan 0.000 0.475 269 G N -0.753 108.055 108.800 0.013 0.000 2.132 269 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.234 269 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.234 269 G C 1.013 175.923 174.900 0.016 0.000 0.989 269 G CA 0.399 45.508 45.100 0.015 0.000 0.676 269 G HN 0.535 nan 8.290 nan 0.000 0.522 270 I N -0.405 120.173 120.570 0.014 0.000 2.202 270 I HA 0.092 4.262 4.170 -0.000 0.000 0.242 270 I C 1.206 177.336 176.117 0.021 0.000 1.091 270 I CA 1.846 63.155 61.300 0.014 0.000 1.368 270 I CB -0.095 37.911 38.000 0.009 0.000 1.058 270 I HN 0.528 nan 8.210 nan 0.000 0.410 271 V N -1.813 118.116 119.914 0.024 0.000 2.719 271 V HA 0.317 4.437 4.120 -0.000 0.000 0.289 271 V C -0.776 175.339 176.094 0.035 0.000 1.167 271 V CA -1.165 61.156 62.300 0.035 0.000 0.929 271 V CB 0.960 32.805 31.823 0.037 0.000 1.050 271 V HN 0.063 nan 8.190 nan 0.000 0.448 272 K N 3.460 123.882 120.400 0.037 0.000 2.336 272 K HA 0.691 5.011 4.320 -0.000 0.000 0.290 272 K C -0.546 176.081 176.600 0.044 0.000 1.067 272 K CA -0.005 56.304 56.287 0.036 0.000 0.962 272 K CB 1.300 33.818 32.500 0.030 0.000 1.008 272 K HN 0.684 nan 8.250 nan 0.000 0.467 273 V N 0.678 120.620 119.914 0.046 0.000 3.112 273 V HA 0.853 4.973 4.120 -0.000 0.000 0.310 273 V C -1.174 174.956 176.094 0.059 0.000 1.364 273 V CA -1.022 61.310 62.300 0.054 0.000 1.058 273 V CB 2.054 33.908 31.823 0.053 0.000 1.079 273 V HN 0.846 nan 8.190 nan 0.000 0.463 274 A N -0.104 122.757 122.820 0.068 0.000 2.519 274 A HA 0.924 5.244 4.320 -0.000 0.000 0.298 274 A C -1.131 176.509 177.584 0.094 0.000 0.963 274 A CA 0.136 52.222 52.037 0.081 0.000 0.624 274 A CB 0.518 19.589 19.000 0.118 0.000 1.356 274 A HN 2.419 nan 8.150 nan 0.000 0.441 275 A N -0.574 122.308 122.820 0.103 0.000 2.532 275 A HA 1.044 5.364 4.320 -0.000 0.000 0.290 275 A C -0.548 177.125 177.584 0.147 0.000 1.143 275 A CA -0.106 51.998 52.037 0.112 0.000 0.728 275 A CB 1.377 20.424 19.000 0.079 0.000 1.317 275 A HN 2.467 nan 8.150 nan 0.000 0.414 276 V N -1.639 118.367 119.914 0.153 0.000 2.932 276 V HA 0.643 4.763 4.120 -0.000 0.000 0.307 276 V C -0.418 175.750 176.094 0.124 0.000 1.147 276 V CA -0.968 61.437 62.300 0.174 0.000 0.951 276 V CB 1.292 33.264 31.823 0.247 0.000 1.031 276 V HN 1.144 nan 8.190 nan 0.000 0.426 277 K N 2.675 123.115 120.400 0.066 0.000 2.440 277 K HA 0.568 4.888 4.320 -0.000 0.000 0.270 277 K C 0.672 177.203 176.600 -0.116 0.000 0.980 277 K CA 0.514 56.794 56.287 -0.011 0.000 0.953 277 K CB 1.060 33.544 32.500 -0.026 0.000 0.925 277 K HN 1.307 nan 8.250 nan 0.000 0.497 278 A N 4.951 127.688 122.820 -0.138 0.000 2.261 278 A HA 0.198 4.518 4.320 -0.000 0.000 0.275 278 A C -1.781 175.559 177.584 -0.407 0.000 1.246 278 A CA -0.975 50.915 52.037 -0.246 0.000 0.810 278 A CB -0.717 18.209 19.000 -0.122 0.000 1.168 278 A HN 0.767 nan 8.150 nan 0.000 0.506 279 P HA -0.033 nan 4.420 nan 0.000 0.213 279 P C 1.143 178.331 177.300 -0.188 0.000 1.090 279 P CA 1.890 64.789 63.100 -0.336 0.000 0.875 279 P CB -0.032 31.562 31.700 -0.177 0.000 0.553 280 G N -2.554 106.196 108.800 -0.083 0.000 2.506 280 G HA2 0.205 4.165 3.960 -0.000 0.000 0.188 280 G HA3 0.205 4.165 3.960 -0.000 0.000 0.188 280 G C -0.547 174.381 174.900 0.046 0.000 1.780 280 G CA 0.043 45.136 45.100 -0.010 0.000 0.727 280 G HN 0.288 nan 8.290 nan 0.000 0.784 281 F N 2.447 122.366 119.950 -0.052 0.000 2.440 281 F HA 0.521 5.048 4.527 -0.000 0.000 0.323 281 F C 1.586 177.361 175.800 -0.042 0.000 1.192 281 F CA 0.096 58.071 58.000 -0.042 0.000 1.252 281 F CB 1.192 40.169 39.000 -0.039 0.000 1.214 281 F HN 0.354 nan 8.300 nan 0.000 0.578 282 G N 1.883 109.830 108.800 -1.421 0.000 2.777 282 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 282 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 282 G C 1.091 175.679 174.900 -0.520 0.000 1.295 282 G CA 1.154 45.685 45.100 -0.948 0.000 0.800 282 G HN 0.753 nan 8.290 nan 0.000 0.637 283 D N 0.066 120.200 120.400 -0.443 0.000 2.384 283 D HA -0.057 4.583 4.640 -0.000 0.000 0.222 283 D C 2.184 178.492 176.300 0.014 0.000 0.976 283 D CA 0.488 54.445 54.000 -0.072 0.000 0.915 283 D CB 0.077 40.932 40.800 0.090 0.000 0.896 283 D HN 0.391 nan 8.370 nan 0.000 0.523 284 R N 1.361 121.889 120.500 0.048 0.000 2.060 284 R HA -0.080 4.260 4.340 -0.000 0.000 0.218 284 R C 2.521 178.815 176.300 -0.009 0.000 1.200 284 R CA 0.677 56.817 56.100 0.066 0.000 0.935 284 R CB -0.015 30.368 30.300 0.139 0.000 0.814 284 R HN 0.019 nan 8.270 nan 0.000 0.460 285 R N 1.113 121.586 120.500 -0.045 0.000 2.168 285 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 285 R C 2.141 178.410 176.300 -0.053 0.000 1.123 285 R CA 2.266 58.324 56.100 -0.070 0.000 0.928 285 R CB -0.868 29.370 30.300 -0.104 0.000 0.873 285 R HN 0.273 nan 8.270 nan 0.000 0.434 286 K N 0.695 121.052 120.400 -0.072 0.000 2.089 286 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 286 K C 2.396 178.980 176.600 -0.028 0.000 1.048 286 K CA 1.727 57.982 56.287 -0.054 0.000 0.926 286 K CB -0.374 32.080 32.500 -0.077 0.000 0.714 286 K HN 0.428 nan 8.250 nan 0.000 0.448 287 A N 1.097 123.903 122.820 -0.023 0.000 2.024 287 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 287 A C 1.314 178.902 177.584 0.006 0.000 1.164 287 A CA 1.169 53.203 52.037 -0.005 0.000 0.643 287 A CB -0.290 18.712 19.000 0.002 0.000 0.806 287 A HN 0.227 nan 8.150 nan 0.000 0.451 288 M N 0.059 119.663 119.600 0.007 0.000 2.741 288 M HA 0.462 4.942 4.480 -0.000 0.000 0.283 288 M C -0.235 176.088 176.300 0.039 0.000 1.176 288 M CA 0.091 55.408 55.300 0.029 0.000 1.139 288 M CB 0.649 33.271 32.600 0.037 0.000 1.234 288 M HN 0.282 nan 8.290 nan 0.000 0.497 289 L N -0.922 120.322 121.223 0.036 0.000 1.768 289 L HA 0.010 4.350 4.340 -0.000 0.000 0.178 289 L C 1.604 178.496 176.870 0.037 0.000 1.256 289 L CA 0.040 54.906 54.840 0.043 0.000 1.175 289 L CB -0.272 41.801 42.059 0.024 0.000 2.460 289 L HN 0.345 nan 8.230 nan 0.000 0.499 290 Q N 1.825 121.639 119.800 0.024 0.000 2.096 290 Q HA -0.264 4.076 4.340 -0.000 0.000 0.208 290 Q C 1.363 177.378 176.000 0.026 0.000 0.993 290 Q CA 2.505 58.320 55.803 0.020 0.000 0.862 290 Q CB -0.942 27.804 28.738 0.014 0.000 0.915 290 Q HN 0.724 nan 8.270 nan 0.000 0.416 291 D N 0.674 121.091 120.400 0.028 0.000 2.116 291 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 291 D C 1.658 177.979 176.300 0.036 0.000 0.998 291 D CA 1.629 55.648 54.000 0.031 0.000 0.836 291 D CB -0.515 40.306 40.800 0.035 0.000 0.951 291 D HN 0.348 nan 8.370 nan 0.000 0.449 292 I N 0.964 121.563 120.570 0.049 0.000 2.113 292 I HA -0.255 3.915 4.170 -0.000 0.000 0.238 292 I C 2.691 178.834 176.117 0.042 0.000 1.070 292 I CA 1.117 62.449 61.300 0.054 0.000 1.332 292 I CB -0.689 37.362 38.000 0.086 0.000 1.044 292 I HN 0.141 nan 8.210 nan 0.000 0.402 293 A N 1.636 124.481 122.820 0.042 0.000 1.862 293 A HA -0.339 3.981 4.320 -0.000 0.000 0.214 293 A C 2.480 180.083 177.584 0.031 0.000 1.228 293 A CA 3.705 55.764 52.037 0.037 0.000 0.665 293 A CB -1.668 17.351 19.000 0.031 0.000 0.845 293 A HN 0.549 nan 8.150 nan 0.000 0.459 294 T N -1.109 113.461 114.554 0.025 0.000 2.701 294 T HA -0.330 4.020 4.350 -0.000 0.000 0.265 294 T C 1.764 176.476 174.700 0.020 0.000 1.032 294 T CA 2.073 64.186 62.100 0.021 0.000 1.158 294 T CB -1.011 67.867 68.868 0.018 0.000 0.854 294 T HN 0.442 nan 8.240 nan 0.000 0.463 295 L N 1.573 122.808 121.223 0.020 0.000 1.943 295 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 295 L C 3.044 179.923 176.870 0.015 0.000 1.074 295 L CA 2.612 57.461 54.840 0.015 0.000 0.759 295 L CB -1.005 41.062 42.059 0.013 0.000 0.888 295 L HN 0.627 nan 8.230 nan 0.000 0.433 296 T N -2.674 111.892 114.554 0.019 0.000 3.051 296 T HA 0.068 4.418 4.350 -0.000 0.000 0.269 296 T C 1.237 175.958 174.700 0.034 0.000 1.127 296 T CA 0.579 62.692 62.100 0.022 0.000 1.107 296 T CB -0.391 68.494 68.868 0.028 0.000 0.898 296 T HN 0.806 nan 8.240 nan 0.000 0.517 297 G N 0.280 109.100 108.800 0.033 0.000 2.165 297 G HA2 0.071 4.031 3.960 -0.000 0.000 0.226 297 G HA3 0.071 4.031 3.960 -0.000 0.000 0.226 297 G C 0.204 175.130 174.900 0.043 0.000 1.035 297 G CA -0.324 44.797 45.100 0.035 0.000 0.744 297 G HN 1.005 nan 8.290 nan 0.000 0.501 298 G N -1.279 107.547 108.800 0.043 0.000 2.491 298 G HA2 0.655 4.615 3.960 -0.000 0.000 0.327 298 G HA3 0.655 4.615 3.960 -0.000 0.000 0.327 298 G C -0.199 174.718 174.900 0.029 0.000 1.189 298 G CA 0.101 45.228 45.100 0.044 0.000 0.956 298 G HN 0.570 nan 8.290 nan 0.000 0.491 299 T N 1.358 115.926 114.554 0.022 0.000 3.042 299 T HA 0.337 4.687 4.350 -0.000 0.000 0.356 299 T C 0.569 175.277 174.700 0.012 0.000 1.233 299 T CA -0.237 61.870 62.100 0.013 0.000 1.038 299 T CB 0.690 69.561 68.868 0.005 0.000 1.089 299 T HN 0.368 nan 8.240 nan 0.000 0.531 300 V N 4.174 124.097 119.914 0.014 0.000 2.953 300 V HA -0.008 4.112 4.120 -0.000 0.000 0.304 300 V C 0.827 176.924 176.094 0.004 0.000 1.138 300 V CA 0.283 62.590 62.300 0.012 0.000 1.266 300 V CB 0.191 32.019 31.823 0.009 0.000 0.923 300 V HN 0.737 nan 8.190 nan 0.000 0.505 301 I N 3.951 124.522 120.570 0.001 0.000 2.287 301 I HA 0.124 4.294 4.170 -0.000 0.000 0.290 301 I C 0.863 176.975 176.117 -0.009 0.000 1.069 301 I CA -0.042 61.256 61.300 -0.004 0.000 1.237 301 I CB 1.211 39.209 38.000 -0.004 0.000 1.418 301 I HN 0.795 nan 8.210 nan 0.000 0.481 302 S N 4.714 120.408 115.700 -0.010 0.000 3.988 302 S HA -0.043 4.427 4.470 -0.000 0.000 0.180 302 S C 1.386 175.977 174.600 -0.015 0.000 1.242 302 S CA -0.341 57.851 58.200 -0.013 0.000 0.947 302 S CB -0.217 62.976 63.200 -0.011 0.000 1.519 302 S HN 0.700 nan 8.310 nan 0.000 0.439 303 E N 2.059 122.249 120.200 -0.017 0.000 2.253 303 E HA -0.282 4.068 4.350 -0.000 0.000 0.202 303 E C 0.997 177.585 176.600 -0.019 0.000 1.014 303 E CA 1.822 58.211 56.400 -0.018 0.000 0.823 303 E CB -0.052 29.636 29.700 -0.021 0.000 0.736 303 E HN 0.933 nan 8.360 nan 0.000 0.478 304 E N -0.858 119.330 120.200 -0.021 0.000 2.340 304 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 304 E C 0.809 177.399 176.600 -0.016 0.000 0.996 304 E CA 0.008 56.396 56.400 -0.020 0.000 0.869 304 E CB 0.342 30.027 29.700 -0.026 0.000 0.835 304 E HN 0.159 nan 8.360 nan 0.000 0.493 305 I N -0.512 120.049 120.570 -0.015 0.000 4.701 305 I HA 0.174 4.344 4.170 -0.000 0.000 0.198 305 I C 1.474 177.585 176.117 -0.010 0.000 1.312 305 I CA -0.453 60.840 61.300 -0.012 0.000 1.480 305 I CB -0.517 37.477 38.000 -0.011 0.000 1.461 305 I HN -0.146 nan 8.210 nan 0.000 0.513 306 G N 1.273 110.068 108.800 -0.009 0.000 3.263 306 G HA2 0.420 4.380 3.960 -0.000 0.000 0.246 306 G HA3 0.420 4.380 3.960 -0.000 0.000 0.246 306 G C -0.192 174.702 174.900 -0.009 0.000 0.982 306 G CA 0.249 45.343 45.100 -0.009 0.000 1.897 306 G HN 0.250 nan 8.290 nan 0.000 0.624 307 M N -0.807 118.787 119.600 -0.010 0.000 2.682 307 M HA 0.416 4.896 4.480 -0.000 0.000 0.272 307 M C -1.053 175.240 176.300 -0.012 0.000 1.232 307 M CA -0.652 54.642 55.300 -0.011 0.000 0.849 307 M CB 2.482 35.076 32.600 -0.010 0.000 1.695 307 M HN 0.223 nan 8.290 nan 0.000 0.481 308 E N -0.109 120.084 120.200 -0.012 0.000 2.433 308 E HA 0.501 4.851 4.350 -0.000 0.000 0.264 308 E C -0.688 175.904 176.600 -0.012 0.000 0.960 308 E CA -0.940 55.453 56.400 -0.012 0.000 0.866 308 E CB 1.290 30.983 29.700 -0.012 0.000 1.615 308 E HN 0.300 nan 8.360 nan 0.000 0.442 309 L N 0.980 122.195 121.223 -0.012 0.000 1.845 309 L HA -0.175 4.165 4.340 -0.000 0.000 0.239 309 L C 1.899 178.761 176.870 -0.013 0.000 1.068 309 L CA 1.562 56.395 54.840 -0.012 0.000 1.094 309 L CB -0.924 41.128 42.059 -0.012 0.000 0.996 309 L HN 0.560 nan 8.230 nan 0.000 0.528 310 E N -0.054 120.137 120.200 -0.014 0.000 2.197 310 E HA -0.234 4.116 4.350 -0.000 0.000 0.205 310 E C 0.901 177.490 176.600 -0.019 0.000 1.029 310 E CA 1.016 57.406 56.400 -0.017 0.000 0.828 310 E CB -0.572 29.118 29.700 -0.017 0.000 0.737 310 E HN 0.118 nan 8.360 nan 0.000 0.464 311 K N 1.263 121.653 120.400 -0.017 0.000 1.895 311 K HA 0.098 4.418 4.320 -0.000 0.000 0.229 311 K C -1.047 175.542 176.600 -0.018 0.000 1.161 311 K CA 0.846 57.123 56.287 -0.017 0.000 1.288 311 K CB -1.210 31.281 32.500 -0.014 0.000 0.962 311 K HN 0.184 nan 8.250 nan 0.000 0.326 312 A N 2.547 125.353 122.820 -0.023 0.000 2.272 312 A HA 0.175 4.495 4.320 -0.000 0.000 0.286 312 A C -0.498 177.062 177.584 -0.039 0.000 0.977 312 A CA -0.801 51.220 52.037 -0.027 0.000 0.822 312 A CB 0.092 19.078 19.000 -0.023 0.000 0.955 312 A HN 0.373 nan 8.150 nan 0.000 0.349 313 T N 3.284 117.811 114.554 -0.045 0.000 2.904 313 T HA 0.427 4.777 4.350 -0.000 0.000 0.290 313 T C 1.988 176.630 174.700 -0.097 0.000 1.018 313 T CA 0.220 62.282 62.100 -0.064 0.000 1.075 313 T CB 0.480 69.314 68.868 -0.056 0.000 0.986 313 T HN 1.506 nan 8.240 nan 0.000 0.523 314 L N 1.441 122.579 121.223 -0.142 0.000 2.189 314 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 314 L C 2.032 178.742 176.870 -0.267 0.000 1.097 314 L CA 1.518 56.207 54.840 -0.251 0.000 0.764 314 L CB -1.620 40.244 42.059 -0.325 0.000 0.900 314 L HN 0.668 nan 8.230 nan 0.000 0.436 315 E N -0.239 119.865 120.200 -0.161 0.000 2.204 315 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 315 E C 1.594 178.164 176.600 -0.050 0.000 0.989 315 E CA 1.260 57.601 56.400 -0.098 0.000 0.824 315 E CB -1.008 28.659 29.700 -0.055 0.000 0.756 315 E HN 0.550 nan 8.360 nan 0.000 0.477 316 D N 1.147 121.517 120.400 -0.049 0.000 2.149 316 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 316 D C 0.785 177.086 176.300 0.001 0.000 0.990 316 D CA 0.624 54.613 54.000 -0.019 0.000 0.839 316 D CB -0.215 40.572 40.800 -0.022 0.000 0.948 316 D HN 0.250 nan 8.370 nan 0.000 0.460 317 L N 0.618 121.834 121.223 -0.011 0.000 2.517 317 L HA 0.050 4.390 4.340 -0.000 0.000 0.294 317 L C 1.370 178.306 176.870 0.110 0.000 1.264 317 L CA 0.109 54.979 54.840 0.049 0.000 0.839 317 L CB 0.077 42.160 42.059 0.038 0.000 1.098 317 L HN -0.057 nan 8.230 nan 0.000 0.525 318 G N 0.548 109.427 108.800 0.131 0.000 2.461 318 G HA2 0.597 4.557 3.960 -0.000 0.000 0.329 318 G HA3 0.597 4.557 3.960 -0.000 0.000 0.329 318 G C -1.082 173.911 174.900 0.155 0.000 1.170 318 G CA -0.401 44.770 45.100 0.117 0.000 0.935 318 G HN 0.507 nan 8.290 nan 0.000 0.492 319 Q N -1.155 118.702 119.800 0.095 0.000 2.387 319 Q HA 0.790 5.130 4.340 -0.000 0.000 0.273 319 Q C -0.325 175.660 176.000 -0.024 0.000 1.089 319 Q CA -0.400 55.415 55.803 0.020 0.000 0.824 319 Q CB 2.439 31.180 28.738 0.004 0.000 1.367 319 Q HN 0.947 nan 8.270 nan 0.000 0.443 320 A N 0.614 123.390 122.820 -0.073 0.000 2.606 320 A HA 0.465 4.785 4.320 -0.000 0.000 0.293 320 A C -0.207 177.326 177.584 -0.085 0.000 1.082 320 A CA -0.710 51.289 52.037 -0.063 0.000 0.685 320 A CB 1.129 20.098 19.000 -0.050 0.000 1.284 320 A HN 0.630 nan 8.150 nan 0.000 0.408 321 K N -0.132 120.228 120.400 -0.066 0.000 2.001 321 K HA -0.120 4.200 4.320 -0.000 0.000 0.214 321 K C 1.121 177.678 176.600 -0.073 0.000 1.050 321 K CA 2.099 58.346 56.287 -0.066 0.000 0.934 321 K CB 0.049 32.519 32.500 -0.050 0.000 0.718 321 K HN 0.637 nan 8.250 nan 0.000 0.443 322 R N -1.150 119.311 120.500 -0.065 0.000 2.921 322 R HA 0.247 4.587 4.340 -0.000 0.000 0.268 322 R C -1.910 174.355 176.300 -0.058 0.000 1.008 322 R CA -0.493 55.571 56.100 -0.061 0.000 0.876 322 R CB 1.171 31.441 30.300 -0.051 0.000 1.395 322 R HN 0.011 nan 8.270 nan 0.000 0.443 323 V N -1.598 118.284 119.914 -0.052 0.000 3.181 323 V HA 0.843 4.963 4.120 -0.000 0.000 0.308 323 V C -1.495 174.565 176.094 -0.056 0.000 1.214 323 V CA -0.711 61.553 62.300 -0.060 0.000 1.053 323 V CB 2.191 33.982 31.823 -0.053 0.000 1.069 323 V HN 0.417 nan 8.190 nan 0.000 0.441 324 V N 2.678 122.548 119.914 -0.073 0.000 2.532 324 V HA 0.636 4.756 4.120 -0.000 0.000 0.294 324 V C -1.070 174.967 176.094 -0.095 0.000 1.036 324 V CA -0.000 62.256 62.300 -0.073 0.000 0.876 324 V CB 1.222 33.004 31.823 -0.070 0.000 1.012 324 V HN 0.809 nan 8.190 nan 0.000 0.432 325 I N 5.365 125.872 120.570 -0.104 0.000 2.785 325 I HA 0.651 4.820 4.170 -0.000 0.000 0.302 325 I C 0.151 176.089 176.117 -0.297 0.000 1.069 325 I CA -0.270 60.935 61.300 -0.158 0.000 1.045 325 I CB 2.223 40.159 38.000 -0.107 0.000 1.236 325 I HN 0.735 nan 8.210 nan 0.000 0.429 326 N N 2.773 121.254 118.700 -0.365 0.000 3.427 326 N HA 0.360 5.100 4.740 -0.000 0.000 0.364 326 N C -0.113 174.999 175.510 -0.664 0.000 1.538 326 N CA -0.610 52.155 53.050 -0.476 0.000 0.662 326 N CB 0.533 38.887 38.487 -0.220 0.000 1.881 326 N HN 0.230 nan 8.380 nan 0.000 0.634 327 K N -0.392 119.804 120.400 -0.340 0.000 2.417 327 K HA 0.289 4.609 4.320 -0.000 0.000 0.196 327 K C -0.597 176.008 176.600 0.008 0.000 1.023 327 K CA 0.355 56.599 56.287 -0.072 0.000 1.122 327 K CB 0.194 32.753 32.500 0.098 0.000 0.850 327 K HN 0.404 nan 8.250 nan 0.000 0.521 328 D N -1.025 119.356 120.400 -0.032 0.000 2.475 328 D HA 0.059 4.699 4.640 -0.000 0.000 0.306 328 D C -0.552 175.777 176.300 0.047 0.000 1.304 328 D CA 0.193 54.208 54.000 0.025 0.000 0.862 328 D CB 1.237 42.050 40.800 0.021 0.000 1.306 328 D HN -0.088 nan 8.370 nan 0.000 0.494 329 T N 0.244 114.807 114.554 0.014 0.000 3.097 329 T HA 0.420 4.770 4.350 -0.000 0.000 0.332 329 T C -0.661 174.026 174.700 -0.023 0.000 1.269 329 T CA -0.311 61.813 62.100 0.040 0.000 1.076 329 T CB 2.770 71.640 68.868 0.004 0.000 1.209 329 T HN -0.301 nan 8.240 nan 0.000 0.474 330 T N 2.244 116.763 114.554 -0.058 0.000 2.924 330 T HA 0.853 5.203 4.350 -0.000 0.000 0.291 330 T C -0.760 173.733 174.700 -0.345 0.000 1.045 330 T CA -0.659 61.321 62.100 -0.200 0.000 1.015 330 T CB 1.812 70.554 68.868 -0.209 0.000 1.103 330 T HN 0.649 nan 8.240 nan 0.000 0.496 331 T N 1.750 116.145 114.554 -0.265 0.000 3.097 331 T HA 0.438 4.788 4.350 -0.000 0.000 0.332 331 T C -0.832 173.764 174.700 -0.173 0.000 1.269 331 T CA -0.574 61.384 62.100 -0.236 0.000 1.076 331 T CB 0.883 69.659 68.868 -0.153 0.000 1.209 331 T HN 0.455 nan 8.240 nan 0.000 0.474 332 I N 3.638 124.110 120.570 -0.163 0.000 2.312 332 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 332 I C 1.490 177.559 176.117 -0.081 0.000 1.008 332 I CA -0.643 60.591 61.300 -0.110 0.000 1.226 332 I CB 1.120 39.062 38.000 -0.097 0.000 1.371 332 I HN 0.712 nan 8.210 nan 0.000 0.468 333 I N 3.679 124.208 120.570 -0.068 0.000 2.118 333 I HA -0.197 3.973 4.170 -0.000 0.000 0.241 333 I C 0.414 176.503 176.117 -0.047 0.000 1.070 333 I CA 1.641 62.909 61.300 -0.055 0.000 1.327 333 I CB -0.060 37.910 38.000 -0.050 0.000 1.034 333 I HN 0.662 nan 8.210 nan 0.000 0.405 334 D N -0.336 120.036 120.400 -0.046 0.000 2.414 334 D HA 0.177 4.817 4.640 -0.000 0.000 0.187 334 D C -0.604 175.677 176.300 -0.033 0.000 1.255 334 D CA -0.107 53.871 54.000 -0.036 0.000 0.825 334 D CB 0.824 41.605 40.800 -0.031 0.000 1.912 334 D HN 0.111 nan 8.370 nan 0.000 0.530 335 G N 2.255 111.040 108.800 -0.025 0.000 2.546 335 G HA2 0.420 4.380 3.960 -0.000 0.000 0.320 335 G HA3 0.420 4.380 3.960 -0.000 0.000 0.320 335 G C 0.470 175.366 174.900 -0.007 0.000 0.984 335 G CA -0.436 44.655 45.100 -0.015 0.000 1.183 335 G HN 0.402 nan 8.290 nan 0.000 0.443 336 V N 2.386 122.295 119.914 -0.009 0.000 2.568 336 V HA 0.226 4.346 4.120 -0.000 0.000 0.270 336 V C 1.198 177.296 176.094 0.007 0.000 0.963 336 V CA 0.955 63.254 62.300 -0.002 0.000 1.161 336 V CB -0.485 31.337 31.823 -0.002 0.000 0.969 336 V HN 0.751 nan 8.190 nan 0.000 0.464 337 G N 3.804 112.607 108.800 0.005 0.000 2.760 337 G HA2 0.496 4.456 3.960 -0.000 0.000 0.285 337 G HA3 0.496 4.456 3.960 -0.000 0.000 0.285 337 G C -0.482 174.422 174.900 0.007 0.000 1.496 337 G CA -0.646 44.459 45.100 0.009 0.000 1.026 337 G HN 0.654 nan 8.290 nan 0.000 0.536 338 E N 1.245 121.450 120.200 0.008 0.000 2.739 338 E HA -0.120 4.230 4.350 -0.000 0.000 0.278 338 E C 0.505 177.108 176.600 0.006 0.000 0.978 338 E CA 0.452 56.856 56.400 0.006 0.000 0.978 338 E CB 1.053 30.757 29.700 0.007 0.000 0.982 338 E HN 0.502 nan 8.360 nan 0.000 0.469 339 E N 1.411 121.613 120.200 0.004 0.000 2.274 339 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 339 E C 1.728 178.331 176.600 0.005 0.000 0.996 339 E CA 1.037 57.439 56.400 0.004 0.000 0.840 339 E CB -0.176 29.526 29.700 0.003 0.000 0.772 339 E HN 0.579 nan 8.360 nan 0.000 0.491 340 A N 1.098 123.921 122.820 0.005 0.000 1.908 340 A HA -0.158 4.161 4.320 -0.000 0.000 0.218 340 A C 2.339 179.927 177.584 0.006 0.000 1.181 340 A CA 2.086 54.126 52.037 0.005 0.000 0.627 340 A CB -0.780 18.223 19.000 0.005 0.000 0.818 340 A HN 0.306 nan 8.150 nan 0.000 0.445 341 A N -0.108 122.716 122.820 0.007 0.000 1.854 341 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 341 A C 2.086 179.675 177.584 0.008 0.000 1.192 341 A CA 1.218 53.260 52.037 0.008 0.000 0.611 341 A CB -0.619 18.387 19.000 0.010 0.000 0.832 341 A HN 0.476 nan 8.150 nan 0.000 0.442 342 I N -0.507 120.068 120.570 0.007 0.000 2.043 342 I HA -0.374 3.796 4.170 -0.000 0.000 0.231 342 I C 2.696 178.817 176.117 0.007 0.000 1.024 342 I CA 1.982 63.286 61.300 0.007 0.000 1.309 342 I CB -0.755 37.248 38.000 0.005 0.000 1.030 342 I HN 0.278 nan 8.210 nan 0.000 0.389 343 Q N 1.026 120.830 119.800 0.006 0.000 2.248 343 Q HA -0.149 4.191 4.340 -0.000 0.000 0.208 343 Q C 2.103 178.107 176.000 0.006 0.000 0.984 343 Q CA 1.700 57.507 55.803 0.006 0.000 0.875 343 Q CB -0.981 27.759 28.738 0.005 0.000 0.910 343 Q HN 0.690 nan 8.270 nan 0.000 0.433 344 G N 0.348 109.152 108.800 0.007 0.000 2.453 344 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 344 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 344 G C 1.362 176.266 174.900 0.008 0.000 1.201 344 G CA 0.346 45.450 45.100 0.007 0.000 0.784 344 G HN 0.155 nan 8.290 nan 0.000 0.545 345 R N 0.145 120.650 120.500 0.009 0.000 2.303 345 R HA 0.000 4.340 4.340 -0.000 0.000 0.225 345 R C 2.363 178.669 176.300 0.010 0.000 1.114 345 R CA 0.528 56.634 56.100 0.010 0.000 1.007 345 R CB -0.448 29.859 30.300 0.012 0.000 0.861 345 R HN 0.419 nan 8.270 nan 0.000 0.471 346 V N -0.400 119.519 119.914 0.009 0.000 2.492 346 V HA 0.011 4.131 4.120 -0.000 0.000 0.241 346 V C 2.408 178.507 176.094 0.008 0.000 1.041 346 V CA 1.241 63.546 62.300 0.009 0.000 1.057 346 V CB -0.676 31.152 31.823 0.008 0.000 0.711 346 V HN 0.207 nan 8.190 nan 0.000 0.468 347 A N 1.443 124.268 122.820 0.007 0.000 1.917 347 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 347 A C 2.093 179.681 177.584 0.007 0.000 1.182 347 A CA 2.438 54.479 52.037 0.007 0.000 0.633 347 A CB -0.606 18.398 19.000 0.006 0.000 0.819 347 A HN 0.753 nan 8.150 nan 0.000 0.448 348 Q N -0.074 119.731 119.800 0.007 0.000 2.488 348 Q HA 0.138 4.478 4.340 -0.000 0.000 0.211 348 Q C 1.227 177.232 176.000 0.008 0.000 0.967 348 Q CA 1.373 57.180 55.803 0.007 0.000 0.926 348 Q CB -0.710 28.032 28.738 0.007 0.000 0.992 348 Q HN 0.687 nan 8.270 nan 0.000 0.506 349 I N -0.286 120.289 120.570 0.009 0.000 3.419 349 I HA 0.011 4.181 4.170 -0.000 0.000 0.286 349 I C 1.630 177.753 176.117 0.009 0.000 1.268 349 I CA -0.145 61.161 61.300 0.010 0.000 1.414 349 I CB -0.036 37.971 38.000 0.011 0.000 1.074 349 I HN 0.129 nan 8.210 nan 0.000 0.457 350 R N 0.800 121.305 120.500 0.009 0.000 2.120 350 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 350 R C 2.105 178.411 176.300 0.009 0.000 1.123 350 R CA 1.165 57.270 56.100 0.009 0.000 0.975 350 R CB -0.524 29.781 30.300 0.008 0.000 0.866 350 R HN 0.346 nan 8.270 nan 0.000 0.446 351 Q N 1.139 120.944 119.800 0.009 0.000 2.212 351 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 351 Q C 1.807 177.812 176.000 0.009 0.000 0.950 351 Q CA 1.402 57.210 55.803 0.009 0.000 0.863 351 Q CB 0.060 28.802 28.738 0.007 0.000 0.944 351 Q HN 0.386 nan 8.270 nan 0.000 0.465 352 Q N -0.009 119.796 119.800 0.009 0.000 2.050 352 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 352 Q C 1.979 177.986 176.000 0.011 0.000 0.980 352 Q CA 1.586 57.394 55.803 0.009 0.000 0.840 352 Q CB -0.202 28.541 28.738 0.009 0.000 0.898 352 Q HN 0.400 nan 8.270 nan 0.000 0.424 353 I N 1.595 122.172 120.570 0.012 0.000 2.139 353 I HA -0.294 3.876 4.170 -0.000 0.000 0.211 353 I C 1.125 177.251 176.117 0.016 0.000 1.000 353 I CA 1.233 62.541 61.300 0.014 0.000 1.327 353 I CB -0.671 37.337 38.000 0.012 0.000 1.052 353 I HN 0.351 nan 8.210 nan 0.000 0.385 354 E N 2.523 122.732 120.200 0.014 0.000 2.030 354 E HA -0.049 4.301 4.350 -0.000 0.000 0.267 354 E C -0.288 176.321 176.600 0.016 0.000 1.172 354 E CA 0.120 56.529 56.400 0.015 0.000 1.080 354 E CB -0.336 29.372 29.700 0.014 0.000 1.080 354 E HN 0.244 nan 8.360 nan 0.000 0.446 355 E N 1.647 121.858 120.200 0.018 0.000 2.195 355 E HA 0.393 4.743 4.350 -0.000 0.000 0.271 355 E C -0.200 176.412 176.600 0.021 0.000 0.923 355 E CA -0.727 55.683 56.400 0.017 0.000 0.790 355 E CB 1.479 31.189 29.700 0.016 0.000 1.155 355 E HN 0.361 nan 8.360 nan 0.000 0.402 356 A N 3.281 126.112 122.820 0.019 0.000 2.236 356 A HA 0.066 4.386 4.320 -0.000 0.000 0.214 356 A C 0.840 178.438 177.584 0.024 0.000 1.287 356 A CA 0.859 52.908 52.037 0.021 0.000 0.909 356 A CB -0.539 18.472 19.000 0.017 0.000 0.839 356 A HN 0.622 nan 8.150 nan 0.000 0.486 357 T N -2.146 112.424 114.554 0.027 0.000 3.056 357 T HA 0.105 4.455 4.350 -0.000 0.000 0.241 357 T C 1.499 176.228 174.700 0.048 0.000 1.006 357 T CA 0.890 63.011 62.100 0.036 0.000 1.115 357 T CB 0.080 68.967 68.868 0.031 0.000 0.939 357 T HN 0.736 nan 8.240 nan 0.000 0.462 358 S N 1.039 116.766 115.700 0.046 0.000 4.158 358 S HA -0.285 4.185 4.470 -0.000 0.000 0.535 358 S C 0.128 174.771 174.600 0.070 0.000 1.843 358 S CA 1.856 60.087 58.200 0.051 0.000 4.225 358 S CB -1.875 61.353 63.200 0.046 0.000 0.460 358 S HN 0.637 nan 8.310 nan 0.000 0.454 359 D N 0.807 121.252 120.400 0.075 0.000 2.346 359 D HA 0.274 4.914 4.640 -0.000 0.000 0.260 359 D C 0.776 177.188 176.300 0.186 0.000 1.252 359 D CA 0.808 54.862 54.000 0.091 0.000 0.895 359 D CB 0.265 41.098 40.800 0.055 0.000 1.097 359 D HN 0.609 nan 8.370 nan 0.000 0.489 360 Y N 2.709 123.014 120.300 0.009 0.000 3.292 360 Y HA -0.349 4.201 4.550 -0.000 0.000 0.425 360 Y C 1.050 176.954 175.900 0.006 0.000 1.369 360 Y CA 1.588 59.691 58.100 0.005 0.000 2.058 360 Y CB -1.615 36.844 38.460 -0.002 0.000 0.895 360 Y HN 0.575 nan 8.280 nan 0.000 0.449 361 D N 0.033 120.515 120.400 0.138 0.000 2.096 361 D HA -0.019 4.621 4.640 -0.000 0.000 0.207 361 D C 1.898 178.226 176.300 0.047 0.000 0.976 361 D CA 1.950 55.972 54.000 0.038 0.000 0.875 361 D CB -0.261 40.557 40.800 0.030 0.000 1.009 361 D HN 0.417 nan 8.370 nan 0.000 0.449 362 R N 0.299 120.830 120.500 0.052 0.000 2.417 362 R HA -0.107 4.233 4.340 -0.000 0.000 0.220 362 R C 1.771 178.100 176.300 0.048 0.000 1.128 362 R CA 0.850 56.975 56.100 0.042 0.000 1.048 362 R CB -0.213 30.110 30.300 0.039 0.000 0.835 362 R HN 0.525 nan 8.270 nan 0.000 0.483 363 E N 0.943 121.187 120.200 0.075 0.000 2.033 363 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 363 E C 1.580 178.221 176.600 0.069 0.000 0.960 363 E CA 0.562 57.011 56.400 0.081 0.000 0.842 363 E CB -0.032 29.749 29.700 0.136 0.000 0.816 363 E HN 0.169 nan 8.360 nan 0.000 0.468 364 K N 1.157 121.607 120.400 0.083 0.000 2.281 364 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 364 K C 2.196 178.817 176.600 0.034 0.000 1.046 364 K CA 0.576 56.897 56.287 0.056 0.000 0.938 364 K CB -0.104 32.416 32.500 0.034 0.000 0.737 364 K HN 0.126 nan 8.250 nan 0.000 0.458 365 L N 0.851 122.091 121.223 0.028 0.000 1.950 365 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 365 L C 2.156 179.040 176.870 0.024 0.000 1.079 365 L CA 1.515 56.367 54.840 0.020 0.000 0.754 365 L CB -0.201 41.868 42.059 0.018 0.000 0.889 365 L HN 0.093 nan 8.230 nan 0.000 0.433 366 Q N 0.173 119.988 119.800 0.024 0.000 2.268 366 Q HA -0.292 4.048 4.340 -0.000 0.000 0.210 366 Q C 1.796 177.808 176.000 0.021 0.000 0.988 366 Q CA 1.929 57.744 55.803 0.020 0.000 0.883 366 Q CB -0.277 28.471 28.738 0.016 0.000 0.911 366 Q HN 0.561 nan 8.270 nan 0.000 0.430 367 E N 0.110 120.326 120.200 0.028 0.000 2.005 367 E HA -0.283 4.067 4.350 -0.000 0.000 0.198 367 E C 2.024 178.643 176.600 0.032 0.000 1.010 367 E CA 1.243 57.662 56.400 0.031 0.000 0.825 367 E CB -0.154 29.571 29.700 0.042 0.000 0.769 367 E HN 0.267 nan 8.360 nan 0.000 0.456 368 R N 0.254 120.776 120.500 0.036 0.000 2.113 368 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 368 R C 2.362 178.679 176.300 0.027 0.000 1.142 368 R CA 1.978 58.100 56.100 0.038 0.000 0.953 368 R CB -0.534 29.788 30.300 0.037 0.000 0.860 368 R HN 0.199 nan 8.270 nan 0.000 0.438 369 V N 1.173 121.100 119.914 0.022 0.000 2.277 369 V HA -0.345 3.775 4.120 -0.000 0.000 0.253 369 V C 2.572 178.674 176.094 0.014 0.000 1.067 369 V CA 2.229 64.539 62.300 0.017 0.000 1.047 369 V CB -1.048 30.784 31.823 0.014 0.000 0.649 369 V HN 0.609 nan 8.190 nan 0.000 0.447 370 A N -0.763 122.066 122.820 0.014 0.000 1.972 370 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 370 A C 2.280 179.870 177.584 0.009 0.000 1.169 370 A CA 1.863 53.906 52.037 0.010 0.000 0.635 370 A CB -0.390 18.615 19.000 0.009 0.000 0.810 370 A HN 0.593 nan 8.150 nan 0.000 0.446 371 K N -0.534 119.875 120.400 0.015 0.000 2.305 371 K HA 0.196 4.516 4.320 -0.000 0.000 0.199 371 K C 0.885 177.490 176.600 0.009 0.000 1.047 371 K CA 0.408 56.702 56.287 0.012 0.000 0.976 371 K CB -0.093 32.422 32.500 0.024 0.000 0.765 371 K HN 0.432 nan 8.250 nan 0.000 0.474 372 L N -0.055 121.176 121.223 0.013 0.000 2.660 372 L HA 0.103 4.443 4.340 -0.000 0.000 0.238 372 L C 1.071 177.944 176.870 0.006 0.000 1.161 372 L CA 0.053 54.900 54.840 0.011 0.000 0.937 372 L CB -0.022 42.046 42.059 0.015 0.000 1.122 372 L HN 0.176 nan 8.230 nan 0.000 0.435 373 A N -1.415 121.407 122.820 0.003 0.000 3.416 373 A HA 0.178 4.498 4.320 -0.000 0.000 0.198 373 A C 1.136 178.719 177.584 -0.001 0.000 1.377 373 A CA 0.263 52.300 52.037 0.000 0.000 1.281 373 A CB -1.076 17.925 19.000 0.002 0.000 0.987 373 A HN 0.266 nan 8.150 nan 0.000 0.424 374 G N -0.096 108.704 108.800 0.000 0.000 2.679 374 G HA2 0.540 4.500 3.960 -0.000 0.000 0.202 374 G HA3 0.540 4.500 3.960 -0.000 0.000 0.202 374 G C 0.538 175.436 174.900 -0.003 0.000 1.566 374 G CA 0.382 45.481 45.100 -0.001 0.000 1.074 374 G HN 1.619 nan 8.290 nan 0.000 0.564 375 G N -2.685 106.114 108.800 -0.003 0.000 2.642 375 G HA2 0.535 4.495 3.960 -0.000 0.000 0.293 375 G HA3 0.535 4.495 3.960 -0.000 0.000 0.293 375 G C -1.846 173.053 174.900 -0.002 0.000 1.341 375 G CA -0.340 44.758 45.100 -0.004 0.000 0.916 375 G HN 0.676 nan 8.290 nan 0.000 0.474 376 V N 0.010 119.923 119.914 -0.002 0.000 2.555 376 V HA 0.841 4.961 4.120 -0.000 0.000 0.302 376 V C 0.224 176.318 176.094 -0.000 0.000 1.038 376 V CA -0.405 61.896 62.300 0.002 0.000 0.887 376 V CB 1.370 33.197 31.823 0.007 0.000 0.991 376 V HN 1.276 nan 8.190 nan 0.000 0.434 377 A N 3.904 126.724 122.820 -0.000 0.000 2.469 377 A HA 0.982 5.302 4.320 -0.000 0.000 0.299 377 A C -1.355 176.230 177.584 0.001 0.000 1.098 377 A CA -0.609 51.428 52.037 -0.001 0.000 0.737 377 A CB 2.185 21.183 19.000 -0.003 0.000 1.312 377 A HN 0.687 nan 8.150 nan 0.000 0.414 378 V N 1.445 121.360 119.914 0.002 0.000 2.971 378 V HA 0.523 4.643 4.120 -0.000 0.000 0.309 378 V C -0.868 175.228 176.094 0.004 0.000 1.130 378 V CA -0.291 62.012 62.300 0.004 0.000 0.964 378 V CB 2.028 33.855 31.823 0.007 0.000 1.029 378 V HN 0.791 nan 8.190 nan 0.000 0.427 379 I N 2.852 123.426 120.570 0.006 0.000 2.509 379 I HA 0.515 4.685 4.170 -0.000 0.000 0.293 379 I C -0.469 175.652 176.117 0.008 0.000 1.020 379 I CA -0.765 60.538 61.300 0.006 0.000 1.088 379 I CB 2.228 40.232 38.000 0.007 0.000 1.267 379 I HN 0.473 nan 8.210 nan 0.000 0.430 380 K N 5.032 125.435 120.400 0.006 0.000 2.274 380 K HA 0.546 4.866 4.320 -0.000 0.000 0.262 380 K C -1.049 175.555 176.600 0.007 0.000 0.961 380 K CA -0.687 55.604 56.287 0.007 0.000 0.833 380 K CB 2.434 34.937 32.500 0.005 0.000 1.102 380 K HN 0.262 nan 8.250 nan 0.000 0.436 381 V N 2.190 122.109 119.914 0.008 0.000 2.498 381 V HA 0.288 4.408 4.120 -0.000 0.000 0.279 381 V C 0.741 176.838 176.094 0.006 0.000 1.048 381 V CA -0.651 61.654 62.300 0.008 0.000 0.967 381 V CB 1.334 33.163 31.823 0.009 0.000 0.988 381 V HN 0.911 nan 8.190 nan 0.000 0.473 382 G N 2.889 111.692 108.800 0.004 0.000 2.356 382 G HA2 0.709 4.669 3.960 -0.000 0.000 0.298 382 G HA3 0.709 4.669 3.960 -0.000 0.000 0.298 382 G C -0.492 174.410 174.900 0.003 0.000 1.145 382 G CA 0.095 45.197 45.100 0.003 0.000 0.850 382 G HN 1.311 nan 8.290 nan 0.000 0.487 383 A N 0.624 123.446 122.820 0.003 0.000 2.565 383 A HA 0.722 5.042 4.320 -0.000 0.000 0.298 383 A C 0.560 178.145 177.584 0.002 0.000 1.062 383 A CA 0.318 52.356 52.037 0.002 0.000 0.723 383 A CB 0.752 19.754 19.000 0.003 0.000 1.282 383 A HN 1.744 nan 8.150 nan 0.000 0.400 384 A N 1.108 123.929 122.820 0.001 0.000 1.872 384 A HA 0.335 4.655 4.320 -0.000 0.000 0.214 384 A C 1.596 179.180 177.584 0.001 0.000 1.187 384 A CA 2.475 54.513 52.037 0.001 0.000 0.614 384 A CB -0.828 18.172 19.000 -0.000 0.000 0.826 384 A HN 1.968 nan 8.150 nan 0.000 0.442 385 T N -3.803 110.752 114.554 0.001 0.000 2.888 385 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 385 T C 0.737 175.438 174.700 0.002 0.000 1.013 385 T CA 0.234 62.334 62.100 0.001 0.000 0.938 385 T CB 1.428 70.295 68.868 -0.001 0.000 1.298 385 T HN 0.313 nan 8.240 nan 0.000 0.580 386 E N -0.654 119.548 120.200 0.003 0.000 2.201 386 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 386 E C 2.095 178.697 176.600 0.004 0.000 0.957 386 E CA 0.602 57.005 56.400 0.005 0.000 0.858 386 E CB 0.065 29.769 29.700 0.007 0.000 0.816 386 E HN 0.552 nan 8.360 nan 0.000 0.475 387 V N -0.528 119.387 119.914 0.001 0.000 2.867 387 V HA -0.141 3.979 4.120 -0.000 0.000 0.260 387 V C 1.912 178.005 176.094 -0.002 0.000 1.099 387 V CA 2.036 64.335 62.300 -0.002 0.000 1.122 387 V CB -0.410 31.409 31.823 -0.006 0.000 0.708 387 V HN 0.251 nan 8.190 nan 0.000 0.490 388 E N 0.055 120.254 120.200 -0.001 0.000 2.065 388 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 388 E C 2.095 178.696 176.600 0.002 0.000 0.960 388 E CA 0.920 57.320 56.400 -0.000 0.000 0.824 388 E CB -0.174 29.525 29.700 -0.001 0.000 0.793 388 E HN 0.444 nan 8.360 nan 0.000 0.459 389 M N 1.580 121.182 119.600 0.003 0.000 2.192 389 M HA -0.221 4.259 4.480 -0.000 0.000 0.256 389 M C 1.528 177.832 176.300 0.007 0.000 1.076 389 M CA 1.624 56.927 55.300 0.005 0.000 1.075 389 M CB -0.031 32.573 32.600 0.006 0.000 1.368 389 M HN -0.031 nan 8.290 nan 0.000 0.406 390 K N -0.475 119.928 120.400 0.006 0.000 1.974 390 K HA -0.178 4.142 4.320 -0.000 0.000 0.211 390 K C 1.937 178.540 176.600 0.005 0.000 1.039 390 K CA 1.696 57.987 56.287 0.007 0.000 0.947 390 K CB -0.730 31.774 32.500 0.007 0.000 0.735 390 K HN 0.346 nan 8.250 nan 0.000 0.441 391 E N 1.910 122.111 120.200 0.002 0.000 2.068 391 E HA -0.288 4.062 4.350 -0.000 0.000 0.207 391 E C 1.897 178.498 176.600 0.002 0.000 1.032 391 E CA 2.138 58.538 56.400 -0.000 0.000 0.839 391 E CB -0.191 29.507 29.700 -0.003 0.000 0.758 391 E HN 0.109 nan 8.360 nan 0.000 0.457 392 K N 0.822 121.224 120.400 0.003 0.000 1.980 392 K HA -0.240 4.080 4.320 -0.000 0.000 0.223 392 K C 2.173 178.778 176.600 0.009 0.000 1.052 392 K CA 2.495 58.785 56.287 0.005 0.000 0.974 392 K CB -0.626 31.877 32.500 0.005 0.000 0.734 392 K HN 0.152 nan 8.250 nan 0.000 0.447 393 K N -0.433 119.973 120.400 0.010 0.000 2.173 393 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 393 K C 1.797 178.408 176.600 0.019 0.000 1.046 393 K CA 1.513 57.809 56.287 0.015 0.000 0.929 393 K CB -0.342 32.167 32.500 0.015 0.000 0.720 393 K HN 0.318 nan 8.250 nan 0.000 0.453 394 A N 1.534 124.361 122.820 0.012 0.000 1.829 394 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 394 A C 2.042 179.631 177.584 0.008 0.000 1.207 394 A CA 1.847 53.888 52.037 0.007 0.000 0.622 394 A CB -0.716 18.283 19.000 -0.002 0.000 0.846 394 A HN 0.378 nan 8.150 nan 0.000 0.447 395 R N -0.598 119.905 120.500 0.005 0.000 2.133 395 R HA -0.164 4.176 4.340 -0.000 0.000 0.247 395 R C 1.981 178.295 176.300 0.022 0.000 1.151 395 R CA 1.604 57.708 56.100 0.007 0.000 0.971 395 R CB -0.953 29.350 30.300 0.004 0.000 0.866 395 R HN 0.430 nan 8.270 nan 0.000 0.447 396 V N 1.392 121.322 119.914 0.026 0.000 2.317 396 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 396 V C 2.104 178.238 176.094 0.065 0.000 1.065 396 V CA 2.097 64.419 62.300 0.036 0.000 1.049 396 V CB -0.536 31.305 31.823 0.030 0.000 0.651 396 V HN 0.403 nan 8.190 nan 0.000 0.450 397 E N -0.173 120.078 120.200 0.085 0.000 2.072 397 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 397 E C 2.011 178.769 176.600 0.264 0.000 0.985 397 E CA 1.282 57.792 56.400 0.183 0.000 0.801 397 E CB -0.281 29.533 29.700 0.190 0.000 0.750 397 E HN 0.600 nan 8.360 nan 0.000 0.452 398 D N 0.952 121.397 120.400 0.076 0.000 2.154 398 D HA -0.233 4.407 4.640 -0.000 0.000 0.190 398 D C 1.880 178.244 176.300 0.107 0.000 1.003 398 D CA 1.763 55.774 54.000 0.018 0.000 0.849 398 D CB -0.413 40.379 40.800 -0.014 0.000 0.942 398 D HN 0.206 nan 8.370 nan 0.000 0.446 399 A N 0.910 123.781 122.820 0.085 0.000 1.902 399 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 399 A C 2.122 179.760 177.584 0.090 0.000 1.181 399 A CA 0.965 53.044 52.037 0.070 0.000 0.623 399 A CB -0.751 18.275 19.000 0.043 0.000 0.818 399 A HN 0.280 nan 8.150 nan 0.000 0.443 400 L N -0.415 120.874 121.223 0.110 0.000 2.043 400 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 400 L C 2.236 179.117 176.870 0.019 0.000 1.075 400 L CA 2.797 57.667 54.840 0.051 0.000 0.752 400 L CB -1.360 40.716 42.059 0.027 0.000 0.891 400 L HN 0.578 nan 8.230 nan 0.000 0.432 401 H N -0.331 118.745 119.070 0.009 0.000 2.307 401 H HA 0.065 4.621 4.556 -0.000 0.000 0.303 401 H C 2.253 177.588 175.328 0.012 0.000 1.073 401 H CA 1.396 57.452 56.048 0.012 0.000 1.338 401 H CB -0.526 29.244 29.762 0.013 0.000 1.389 401 H HN 0.422 nan 8.280 nan 0.000 0.503 402 A N 0.655 123.569 122.820 0.157 0.000 1.881 402 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 402 A C 2.568 180.184 177.584 0.054 0.000 1.215 402 A CA 3.316 55.403 52.037 0.082 0.000 0.648 402 A CB -1.535 17.500 19.000 0.058 0.000 0.832 402 A HN 0.663 nan 8.150 nan 0.000 0.455 403 T N -1.955 112.624 114.554 0.043 0.000 2.570 403 T HA -0.301 4.049 4.350 -0.000 0.000 0.266 403 T C 1.937 176.648 174.700 0.017 0.000 1.071 403 T CA 1.601 63.714 62.100 0.023 0.000 1.172 403 T CB -0.597 68.279 68.868 0.014 0.000 0.864 403 T HN 0.452 nan 8.240 nan 0.000 0.421 404 R N 1.966 122.472 120.500 0.009 0.000 2.159 404 R HA -0.154 4.186 4.340 -0.000 0.000 0.252 404 R C 2.893 179.202 176.300 0.016 0.000 1.144 404 R CA 1.968 58.068 56.100 -0.000 0.000 0.961 404 R CB -1.535 28.751 30.300 -0.024 0.000 0.877 404 R HN 0.689 nan 8.270 nan 0.000 0.444 405 A N 0.729 123.569 122.820 0.033 0.000 1.898 405 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 405 A C 2.430 180.027 177.584 0.022 0.000 1.181 405 A CA 1.700 53.757 52.037 0.033 0.000 0.620 405 A CB -0.556 18.472 19.000 0.047 0.000 0.819 405 A HN 0.389 nan 8.150 nan 0.000 0.442 406 A N -0.441 122.392 122.820 0.021 0.000 1.902 406 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 406 A C 2.230 179.821 177.584 0.011 0.000 1.181 406 A CA 1.787 53.833 52.037 0.014 0.000 0.623 406 A CB -0.957 18.052 19.000 0.014 0.000 0.818 406 A HN 0.362 nan 8.150 nan 0.000 0.443 407 V N 1.233 121.153 119.914 0.010 0.000 2.233 407 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 407 V C 2.633 178.731 176.094 0.007 0.000 1.050 407 V CA 2.499 64.803 62.300 0.007 0.000 1.010 407 V CB -1.035 30.791 31.823 0.005 0.000 0.637 407 V HN 0.921 nan 8.190 nan 0.000 0.444 408 E N 0.287 120.492 120.200 0.009 0.000 2.208 408 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 408 E C 1.799 178.404 176.600 0.008 0.000 0.988 408 E CA 1.581 57.986 56.400 0.009 0.000 0.828 408 E CB -0.097 29.610 29.700 0.011 0.000 0.763 408 E HN 0.717 nan 8.360 nan 0.000 0.478 409 E N 0.341 120.546 120.200 0.008 0.000 2.660 409 E HA 0.210 4.560 4.350 -0.000 0.000 0.216 409 E C 0.219 176.822 176.600 0.004 0.000 0.986 409 E CA 0.277 56.680 56.400 0.006 0.000 1.037 409 E CB 0.645 30.348 29.700 0.005 0.000 1.041 409 E HN 0.373 nan 8.360 nan 0.000 0.480 410 G N 0.204 109.007 108.800 0.006 0.000 2.752 410 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.234 410 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.234 410 G C -0.165 174.739 174.900 0.006 0.000 1.367 410 G CA -0.276 44.827 45.100 0.006 0.000 0.879 410 G HN 0.709 nan 8.290 nan 0.000 0.563 411 V N -3.431 116.486 119.914 0.006 0.000 3.182 411 V HA 0.998 5.118 4.120 -0.000 0.000 0.308 411 V C 0.539 176.636 176.094 0.006 0.000 1.240 411 V CA 0.162 62.466 62.300 0.006 0.000 1.063 411 V CB 1.188 33.015 31.823 0.007 0.000 1.076 411 V HN 2.567 nan 8.190 nan 0.000 0.446 412 V N -2.791 117.127 119.914 0.006 0.000 3.206 412 V HA 1.007 5.127 4.120 -0.000 0.000 0.305 412 V C 0.216 176.315 176.094 0.009 0.000 1.257 412 V CA -0.696 61.608 62.300 0.008 0.000 1.057 412 V CB 1.297 33.124 31.823 0.007 0.000 1.075 412 V HN 2.283 nan 8.190 nan 0.000 0.443 413 A N 1.084 123.912 122.820 0.012 0.000 2.491 413 A HA 0.665 4.985 4.320 -0.000 0.000 0.261 413 A C 0.943 178.531 177.584 0.007 0.000 1.101 413 A CA 0.621 52.665 52.037 0.012 0.000 0.772 413 A CB -0.526 18.486 19.000 0.021 0.000 1.043 413 A HN 2.051 nan 8.150 nan 0.000 0.501 414 G N 1.220 110.021 108.800 0.002 0.000 2.468 414 G HA2 0.477 4.437 3.960 -0.000 0.000 0.264 414 G HA3 0.477 4.437 3.960 -0.000 0.000 0.264 414 G C 1.238 176.136 174.900 -0.002 0.000 1.460 414 G CA 0.035 45.135 45.100 -0.001 0.000 1.060 414 G HN 2.248 nan 8.290 nan 0.000 0.543 415 G N -2.162 106.635 108.800 -0.004 0.000 2.166 415 G HA2 0.196 4.156 3.960 -0.000 0.000 0.260 415 G HA3 0.196 4.156 3.960 -0.000 0.000 0.260 415 G C 1.511 176.415 174.900 0.007 0.000 0.986 415 G CA 1.162 46.262 45.100 0.000 0.000 0.683 415 G HN 2.478 nan 8.290 nan 0.000 0.527 416 G N -2.214 106.589 108.800 0.006 0.000 2.225 416 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.267 416 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.267 416 G C 1.451 176.358 174.900 0.012 0.000 1.024 416 G CA 1.548 46.652 45.100 0.008 0.000 0.784 416 G HN 1.864 nan 8.290 nan 0.000 0.507 417 V N -0.177 119.746 119.914 0.014 0.000 2.346 417 V HA 0.247 4.367 4.120 -0.000 0.000 0.244 417 V C 2.982 179.091 176.094 0.024 0.000 1.037 417 V CA 2.405 64.718 62.300 0.022 0.000 1.029 417 V CB -0.522 31.315 31.823 0.023 0.000 0.663 417 V HN 1.277 nan 8.190 nan 0.000 0.454 418 A N 0.292 123.124 122.820 0.019 0.000 1.870 418 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 418 A C 2.140 179.733 177.584 0.016 0.000 1.224 418 A CA 2.735 54.782 52.037 0.017 0.000 0.650 418 A CB -1.116 17.891 19.000 0.011 0.000 0.836 418 A HN 0.529 nan 8.150 nan 0.000 0.454 419 L N -0.761 120.469 121.223 0.011 0.000 1.971 419 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 419 L C 2.482 179.360 176.870 0.014 0.000 1.072 419 L CA 2.121 56.966 54.840 0.009 0.000 0.758 419 L CB -0.589 41.474 42.059 0.006 0.000 0.889 419 L HN 0.565 nan 8.230 nan 0.000 0.433 420 I N -1.415 119.166 120.570 0.017 0.000 2.399 420 I HA -0.370 3.800 4.170 -0.000 0.000 0.254 420 I C 2.650 178.783 176.117 0.027 0.000 1.146 420 I CA 1.047 62.361 61.300 0.022 0.000 1.412 420 I CB -0.037 37.978 38.000 0.026 0.000 1.076 420 I HN 0.236 nan 8.210 nan 0.000 0.432 421 R N 0.553 121.071 120.500 0.030 0.000 2.056 421 R HA -0.118 4.222 4.340 -0.000 0.000 0.227 421 R C 2.300 178.615 176.300 0.024 0.000 1.149 421 R CA 2.154 58.274 56.100 0.034 0.000 0.937 421 R CB -1.146 29.177 30.300 0.038 0.000 0.835 421 R HN 0.421 nan 8.270 nan 0.000 0.430 422 V N -0.116 119.809 119.914 0.018 0.000 2.660 422 V HA -0.149 3.971 4.120 -0.000 0.000 0.257 422 V C 1.898 177.999 176.094 0.012 0.000 1.088 422 V CA 2.032 64.340 62.300 0.013 0.000 1.106 422 V CB -0.971 30.857 31.823 0.008 0.000 0.686 422 V HN 0.341 nan 8.190 nan 0.000 0.481 423 A N 1.620 124.447 122.820 0.013 0.000 1.877 423 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 423 A C 2.651 180.243 177.584 0.013 0.000 1.186 423 A CA 2.600 54.644 52.037 0.012 0.000 0.620 423 A CB -1.195 17.812 19.000 0.013 0.000 0.822 423 A HN 1.065 nan 8.150 nan 0.000 0.443 424 S N 0.190 115.900 115.700 0.017 0.000 2.383 424 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 424 S C 1.770 176.378 174.600 0.014 0.000 1.030 424 S CA 1.554 59.764 58.200 0.017 0.000 1.002 424 S CB -0.453 62.761 63.200 0.022 0.000 0.829 424 S HN 0.601 nan 8.310 nan 0.000 0.467 425 K N 0.920 121.328 120.400 0.014 0.000 2.209 425 K HA 0.101 4.421 4.320 -0.000 0.000 0.204 425 K C 1.114 177.719 176.600 0.008 0.000 1.048 425 K CA 0.997 57.291 56.287 0.011 0.000 0.940 425 K CB -0.362 32.145 32.500 0.011 0.000 0.729 425 K HN 0.463 nan 8.250 nan 0.000 0.451 426 L N -0.066 121.162 121.223 0.008 0.000 2.791 426 L HA 0.231 4.571 4.340 -0.000 0.000 0.239 426 L C 1.579 178.453 176.870 0.006 0.000 1.203 426 L CA -0.379 54.464 54.840 0.006 0.000 1.002 426 L CB 0.216 42.278 42.059 0.005 0.000 1.295 426 L HN 0.008 nan 8.230 nan 0.000 0.504 427 A N -0.247 122.578 122.820 0.007 0.000 2.186 427 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 427 A C 1.392 178.979 177.584 0.005 0.000 1.159 427 A CA 1.402 53.443 52.037 0.007 0.000 0.680 427 A CB -0.195 18.809 19.000 0.008 0.000 0.787 427 A HN 0.405 nan 8.150 nan 0.000 0.467 428 D N -1.257 119.146 120.400 0.005 0.000 2.469 428 D HA 0.167 4.807 4.640 -0.000 0.000 0.215 428 D C -0.157 176.146 176.300 0.004 0.000 1.154 428 D CA -0.338 53.664 54.000 0.004 0.000 0.832 428 D CB 0.245 41.048 40.800 0.004 0.000 1.008 428 D HN 0.318 nan 8.370 nan 0.000 0.506 429 L N 2.086 123.312 121.223 0.004 0.000 2.455 429 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 429 L C 0.042 176.915 176.870 0.004 0.000 1.174 429 L CA 0.494 55.337 54.840 0.004 0.000 0.869 429 L CB 0.133 42.194 42.059 0.004 0.000 1.130 429 L HN -0.203 nan 8.230 nan 0.000 0.474 430 R N 3.131 123.633 120.500 0.004 0.000 2.836 430 R HA 0.766 5.106 4.340 -0.000 0.000 0.269 430 R C -0.391 175.912 176.300 0.004 0.000 1.010 430 R CA -0.472 55.630 56.100 0.004 0.000 0.930 430 R CB 1.546 31.848 30.300 0.003 0.000 1.218 430 R HN 0.813 nan 8.270 nan 0.000 0.473 431 G N -0.494 108.308 108.800 0.004 0.000 3.013 431 G HA2 0.255 4.215 3.960 -0.000 0.000 0.278 431 G HA3 0.255 4.215 3.960 -0.000 0.000 0.278 431 G C 0.139 175.042 174.900 0.004 0.000 1.353 431 G CA -0.414 44.688 45.100 0.004 0.000 1.043 431 G HN 0.422 nan 8.290 nan 0.000 0.523 432 Q N -0.458 119.345 119.800 0.004 0.000 2.248 432 Q HA -0.106 4.233 4.340 -0.000 0.000 0.208 432 Q C 0.851 176.853 176.000 0.004 0.000 0.984 432 Q CA 1.581 57.387 55.803 0.004 0.000 0.875 432 Q CB -0.098 28.642 28.738 0.004 0.000 0.910 432 Q HN 0.623 nan 8.270 nan 0.000 0.433 433 N N -1.786 116.916 118.700 0.004 0.000 3.204 433 N HA 0.010 4.750 4.740 -0.000 0.000 0.285 433 N C 0.244 175.756 175.510 0.004 0.000 1.536 433 N CA -0.323 52.729 53.050 0.004 0.000 0.832 433 N CB 1.013 39.502 38.487 0.004 0.000 1.645 433 N HN -0.220 nan 8.380 nan 0.000 0.586 434 E N 0.473 120.675 120.200 0.004 0.000 2.028 434 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 434 E C 0.553 177.156 176.600 0.004 0.000 0.988 434 E CA 1.818 58.220 56.400 0.004 0.000 0.799 434 E CB -0.614 29.088 29.700 0.003 0.000 0.755 434 E HN 0.595 nan 8.360 nan 0.000 0.447 435 D N 0.428 120.830 120.400 0.004 0.000 2.154 435 D HA -0.237 4.403 4.640 -0.000 0.000 0.190 435 D C 2.024 178.327 176.300 0.005 0.000 1.003 435 D CA 1.806 55.809 54.000 0.005 0.000 0.849 435 D CB -0.344 40.460 40.800 0.005 0.000 0.942 435 D HN 0.317 nan 8.370 nan 0.000 0.446 436 Q N -0.275 119.528 119.800 0.005 0.000 2.112 436 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 436 Q C 1.847 177.850 176.000 0.005 0.000 0.987 436 Q CA 1.158 56.965 55.803 0.005 0.000 0.858 436 Q CB -0.077 28.664 28.738 0.005 0.000 0.905 436 Q HN 0.355 nan 8.270 nan 0.000 0.420 437 N N -0.282 118.421 118.700 0.005 0.000 2.166 437 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 437 N C 1.867 177.380 175.510 0.005 0.000 1.019 437 N CA 1.119 54.172 53.050 0.004 0.000 0.856 437 N CB -0.284 38.205 38.487 0.004 0.000 0.993 437 N HN 0.077 nan 8.380 nan 0.000 0.426 438 V N 1.221 121.138 119.914 0.005 0.000 2.261 438 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 438 V C 2.578 178.675 176.094 0.005 0.000 1.047 438 V CA 2.065 64.368 62.300 0.005 0.000 1.015 438 V CB -1.371 30.454 31.823 0.004 0.000 0.642 438 V HN 0.321 nan 8.190 nan 0.000 0.446 439 G N 0.034 108.838 108.800 0.006 0.000 2.505 439 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 439 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 439 G C 1.534 176.438 174.900 0.006 0.000 1.145 439 G CA 1.452 46.556 45.100 0.006 0.000 0.761 439 G HN 0.493 nan 8.290 nan 0.000 0.571 440 I N -0.060 120.513 120.570 0.006 0.000 2.090 440 I HA -0.128 4.042 4.170 -0.000 0.000 0.236 440 I C 2.789 178.909 176.117 0.005 0.000 1.064 440 I CA 1.375 62.678 61.300 0.005 0.000 1.324 440 I CB -0.286 37.717 38.000 0.005 0.000 1.044 440 I HN 0.017 nan 8.210 nan 0.000 0.399 441 K N 0.882 121.285 120.400 0.005 0.000 2.077 441 K HA -0.189 4.131 4.320 -0.000 0.000 0.213 441 K C 1.894 178.497 176.600 0.005 0.000 1.051 441 K CA 1.407 57.697 56.287 0.005 0.000 0.929 441 K CB -0.934 31.569 32.500 0.005 0.000 0.715 441 K HN 0.134 nan 8.250 nan 0.000 0.451 442 V N 0.611 120.528 119.914 0.006 0.000 2.220 442 V HA -0.376 3.744 4.120 -0.000 0.000 0.250 442 V C 2.238 178.335 176.094 0.006 0.000 1.056 442 V CA 2.367 64.670 62.300 0.006 0.000 1.016 442 V CB -1.076 30.751 31.823 0.006 0.000 0.639 442 V HN 0.487 nan 8.190 nan 0.000 0.446 443 A N -0.217 122.607 122.820 0.007 0.000 1.884 443 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 443 A C 2.196 179.783 177.584 0.006 0.000 1.197 443 A CA 2.501 54.542 52.037 0.007 0.000 0.637 443 A CB -0.785 18.219 19.000 0.006 0.000 0.827 443 A HN 0.538 nan 8.150 nan 0.000 0.450 444 L N -1.343 119.883 121.223 0.006 0.000 2.013 444 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 444 L C 2.818 179.692 176.870 0.007 0.000 1.073 444 L CA 2.089 56.933 54.840 0.006 0.000 0.753 444 L CB -0.640 41.423 42.059 0.007 0.000 0.890 444 L HN 0.447 nan 8.230 nan 0.000 0.432 445 R N 0.182 120.686 120.500 0.006 0.000 2.103 445 R HA -0.220 4.120 4.340 -0.000 0.000 0.242 445 R C 2.299 178.602 176.300 0.006 0.000 1.142 445 R CA 1.641 57.744 56.100 0.006 0.000 0.960 445 R CB -0.289 30.014 30.300 0.005 0.000 0.858 445 R HN 0.416 nan 8.270 nan 0.000 0.439 446 A N 0.490 123.314 122.820 0.006 0.000 2.015 446 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 446 A C 1.991 179.579 177.584 0.006 0.000 1.163 446 A CA 1.235 53.276 52.037 0.006 0.000 0.646 446 A CB -0.343 18.662 19.000 0.007 0.000 0.806 446 A HN 0.348 nan 8.150 nan 0.000 0.448 447 M N -0.412 119.192 119.600 0.006 0.000 2.700 447 M HA -0.082 4.398 4.480 -0.000 0.000 0.249 447 M C 1.067 177.371 176.300 0.007 0.000 1.082 447 M CA 0.904 56.208 55.300 0.006 0.000 1.077 447 M CB -0.346 32.258 32.600 0.006 0.000 1.477 447 M HN 0.431 nan 8.290 nan 0.000 0.529 448 E N 0.542 120.746 120.200 0.006 0.000 2.478 448 E HA 0.079 4.429 4.350 -0.000 0.000 0.194 448 E C 2.049 178.650 176.600 0.002 0.000 1.045 448 E CA 0.265 56.668 56.400 0.006 0.000 0.868 448 E CB 0.123 29.827 29.700 0.005 0.000 0.885 448 E HN 0.504 nan 8.360 nan 0.000 0.505 449 A N 2.446 125.268 122.820 0.003 0.000 1.841 449 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 449 A C -0.327 177.257 177.584 0.000 0.000 1.199 449 A CA 1.331 53.369 52.037 0.001 0.000 0.621 449 A CB -1.557 17.445 19.000 0.004 0.000 0.835 449 A HN 0.104 nan 8.150 nan 0.000 0.445 450 P HA -0.217 nan 4.420 nan 0.000 0.214 450 P C 1.851 179.151 177.300 0.001 0.000 1.169 450 P CA 1.316 64.418 63.100 0.003 0.000 0.908 450 P CB -0.153 31.550 31.700 0.005 0.000 0.791 451 L N -0.054 121.169 121.223 0.001 0.000 1.956 451 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 451 L C 2.406 179.269 176.870 -0.012 0.000 1.073 451 L CA 2.022 56.861 54.840 -0.001 0.000 0.762 451 L CB -0.520 41.540 42.059 0.002 0.000 0.889 451 L HN -0.056 nan 8.230 nan 0.000 0.433 452 R N -0.988 119.503 120.500 -0.016 0.000 2.339 452 R HA -0.114 4.226 4.340 -0.000 0.000 0.199 452 R C 1.807 178.094 176.300 -0.022 0.000 1.018 452 R CA 0.470 56.554 56.100 -0.027 0.000 1.036 452 R CB -0.243 30.042 30.300 -0.025 0.000 0.899 452 R HN 0.451 nan 8.270 nan 0.000 0.473 453 Q N 1.225 121.017 119.800 -0.013 0.000 2.226 453 Q HA 0.141 4.481 4.340 -0.000 0.000 0.199 453 Q C 2.055 178.050 176.000 -0.009 0.000 0.945 453 Q CA 0.858 56.655 55.803 -0.009 0.000 0.861 453 Q CB 0.107 28.843 28.738 -0.004 0.000 0.953 453 Q HN 0.421 nan 8.270 nan 0.000 0.490 454 I N 0.115 120.681 120.570 -0.005 0.000 2.163 454 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 454 I C 2.276 178.393 176.117 0.000 0.000 1.085 454 I CA 1.013 62.315 61.300 0.002 0.000 1.347 454 I CB -0.444 37.562 38.000 0.011 0.000 1.044 454 I HN -0.032 nan 8.210 nan 0.000 0.408 455 V N 0.644 120.546 119.914 -0.020 0.000 2.287 455 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 455 V C 2.415 178.485 176.094 -0.040 0.000 1.053 455 V CA 1.610 63.878 62.300 -0.053 0.000 1.027 455 V CB -0.537 31.212 31.823 -0.124 0.000 0.646 455 V HN 0.331 nan 8.190 nan 0.000 0.447 456 L N 0.551 121.755 121.223 -0.032 0.000 2.131 456 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 456 L C 1.858 178.720 176.870 -0.013 0.000 1.092 456 L CA 1.774 56.600 54.840 -0.023 0.000 0.759 456 L CB -1.232 40.815 42.059 -0.019 0.000 0.903 456 L HN 0.431 nan 8.230 nan 0.000 0.435 457 N N -2.227 116.468 118.700 -0.008 0.000 2.575 457 N HA -0.072 4.668 4.740 -0.000 0.000 0.192 457 N C 0.602 176.114 175.510 0.002 0.000 1.200 457 N CA 0.389 53.437 53.050 -0.002 0.000 0.897 457 N CB -0.029 38.457 38.487 -0.001 0.000 0.990 457 N HN 0.348 nan 8.380 nan 0.000 0.449 458 C N -0.467 118.835 119.300 0.003 0.000 3.240 458 C HA 0.332 4.792 4.460 -0.000 0.000 0.271 458 C C 1.404 176.397 174.990 0.006 0.000 1.534 458 C CA -0.668 58.358 59.018 0.013 0.000 1.796 458 C CB -0.449 27.312 27.740 0.036 0.000 2.892 458 C HN 0.495 nan 8.230 nan 0.000 0.566 459 G N 2.182 110.980 108.800 -0.004 0.000 2.323 459 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.292 459 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.292 459 G C -0.374 174.519 174.900 -0.012 0.000 1.040 459 G CA 0.515 45.612 45.100 -0.006 0.000 0.942 459 G HN 0.703 nan 8.290 nan 0.000 0.506 460 E N -0.307 119.876 120.200 -0.027 0.000 2.369 460 E HA 0.325 4.675 4.350 -0.000 0.000 0.270 460 E C -0.371 176.191 176.600 -0.063 0.000 0.909 460 E CA -1.095 55.277 56.400 -0.047 0.000 0.775 460 E CB 1.078 30.733 29.700 -0.074 0.000 1.270 460 E HN 0.235 nan 8.360 nan 0.000 0.445 461 E N 2.220 122.383 120.200 -0.062 0.000 2.406 461 E HA -0.023 4.327 4.350 -0.000 0.000 0.247 461 E C -1.985 174.567 176.600 -0.080 0.000 1.160 461 E CA -1.011 55.356 56.400 -0.056 0.000 0.950 461 E CB 0.031 29.706 29.700 -0.042 0.000 0.993 461 E HN 0.271 nan 8.360 nan 0.000 0.472 462 P HA -0.171 nan 4.420 nan 0.000 0.216 462 P C 1.478 178.745 177.300 -0.054 0.000 1.153 462 P CA 1.367 64.427 63.100 -0.067 0.000 0.848 462 P CB 0.226 31.901 31.700 -0.042 0.000 0.787 463 S N -1.343 114.336 115.700 -0.036 0.000 2.406 463 S HA -0.084 4.385 4.470 -0.000 0.000 0.228 463 S C 2.021 176.608 174.600 -0.021 0.000 1.020 463 S CA 1.016 59.202 58.200 -0.023 0.000 0.965 463 S CB -1.641 61.550 63.200 -0.015 0.000 0.798 463 S HN -0.063 nan 8.310 nan 0.000 0.488 464 V N 1.733 121.630 119.914 -0.029 0.000 2.270 464 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 464 V C 2.602 178.690 176.094 -0.011 0.000 1.043 464 V CA 1.475 63.764 62.300 -0.018 0.000 1.014 464 V CB -0.716 31.096 31.823 -0.018 0.000 0.645 464 V HN 0.408 nan 8.190 nan 0.000 0.447 465 V N 0.294 120.174 119.914 -0.057 0.000 2.214 465 V HA -0.316 3.804 4.120 -0.000 0.000 0.244 465 V C 2.752 178.861 176.094 0.025 0.000 1.045 465 V CA 2.310 64.577 62.300 -0.055 0.000 0.993 465 V CB -1.421 30.209 31.823 -0.323 0.000 0.633 465 V HN 0.560 nan 8.190 nan 0.000 0.449 466 A N 0.434 123.243 122.820 -0.018 0.000 1.957 466 A HA -0.400 3.920 4.320 -0.000 0.000 0.224 466 A C 2.009 179.615 177.584 0.037 0.000 1.287 466 A CA 2.750 54.794 52.037 0.011 0.000 0.682 466 A CB -1.062 17.936 19.000 -0.004 0.000 0.833 466 A HN 0.684 nan 8.150 nan 0.000 0.482 467 N N -0.563 118.153 118.700 0.027 0.000 2.013 467 N HA -0.169 4.571 4.740 -0.000 0.000 0.195 467 N C 2.106 177.644 175.510 0.048 0.000 1.051 467 N CA 2.754 55.822 53.050 0.029 0.000 0.851 467 N CB -1.254 37.241 38.487 0.013 0.000 1.044 467 N HN 0.770 nan 8.380 nan 0.000 0.422 468 T N -0.364 114.213 114.554 0.038 0.000 2.737 468 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 468 T C 2.122 176.906 174.700 0.140 0.000 1.040 468 T CA 1.619 63.728 62.100 0.015 0.000 1.142 468 T CB -0.862 67.898 68.868 -0.180 0.000 0.861 468 T HN -0.019 nan 8.240 nan 0.000 0.456 469 V N 1.711 121.719 119.914 0.156 0.000 2.427 469 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 469 V C 2.799 178.997 176.094 0.174 0.000 1.051 469 V CA 1.841 64.235 62.300 0.156 0.000 1.048 469 V CB -0.562 31.327 31.823 0.109 0.000 0.666 469 V HN 0.553 nan 8.190 nan 0.000 0.456 470 K N 0.190 120.660 120.400 0.117 0.000 2.228 470 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 470 K C 2.221 178.878 176.600 0.095 0.000 1.051 470 K CA 1.059 57.401 56.287 0.093 0.000 0.960 470 K CB -0.403 32.130 32.500 0.055 0.000 0.743 470 K HN 0.546 nan 8.250 nan 0.000 0.458 471 G N 1.583 110.442 108.800 0.100 0.000 2.422 471 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 471 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 471 G C 0.856 175.792 174.900 0.061 0.000 1.140 471 G CA 0.662 45.798 45.100 0.060 0.000 0.775 471 G HN 0.359 nan 8.290 nan 0.000 0.545 472 G N -0.453 108.455 108.800 0.181 0.000 2.631 472 G HA2 0.428 4.388 3.960 -0.000 0.000 0.271 472 G HA3 0.428 4.388 3.960 -0.000 0.000 0.271 472 G C -0.809 174.159 174.900 0.113 0.000 1.302 472 G CA -0.145 45.037 45.100 0.137 0.000 1.002 472 G HN 0.302 nan 8.290 nan 0.000 0.519 473 D N -2.440 118.010 120.400 0.083 0.000 2.687 473 D HA 0.544 5.184 4.640 -0.000 0.000 0.264 473 D C 1.148 177.512 176.300 0.107 0.000 1.091 473 D CA 0.399 54.441 54.000 0.069 0.000 1.123 473 D CB 0.747 41.557 40.800 0.016 0.000 1.407 473 D HN 0.734 nan 8.370 nan 0.000 0.591 474 G N 0.443 109.286 108.800 0.072 0.000 2.685 474 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.357 474 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.357 474 G C 0.229 175.187 174.900 0.097 0.000 1.272 474 G CA 0.766 45.908 45.100 0.071 0.000 0.972 474 G HN 0.679 nan 8.290 nan 0.000 0.550 475 N N 0.074 118.835 118.700 0.101 0.000 2.346 475 N HA 0.211 4.951 4.740 -0.000 0.000 0.225 475 N C -0.134 175.470 175.510 0.157 0.000 1.144 475 N CA -0.277 52.833 53.050 0.101 0.000 0.837 475 N CB 0.296 38.824 38.487 0.068 0.000 1.069 475 N HN 0.444 nan 8.380 nan 0.000 0.487 476 Y N 1.837 122.170 120.300 0.054 0.000 2.511 476 Y HA 0.343 4.893 4.550 0.000 0.000 0.332 476 Y C 0.470 176.437 175.900 0.112 0.000 1.177 476 Y CA -0.088 58.060 58.100 0.080 0.000 1.422 476 Y CB 0.469 38.974 38.460 0.074 0.000 1.271 476 Y HN 0.054 nan 8.280 nan 0.000 0.550 477 G N 4.544 113.189 108.800 -0.258 0.000 2.673 477 G HA2 0.288 4.248 3.960 -0.000 0.000 0.292 477 G HA3 0.288 4.248 3.960 -0.000 0.000 0.292 477 G C -2.445 172.318 174.900 -0.229 0.000 1.450 477 G CA -1.000 43.979 45.100 -0.201 0.000 0.837 477 G HN 0.645 nan 8.290 nan 0.000 0.505 478 Y N 1.649 121.750 120.300 -0.332 0.000 2.309 478 Y HA 0.513 5.063 4.550 -0.000 0.000 0.327 478 Y C 0.266 175.959 175.900 -0.346 0.000 1.172 478 Y CA -0.672 57.081 58.100 -0.578 0.000 1.280 478 Y CB 1.319 39.397 38.460 -0.637 0.000 1.234 478 Y HN 0.440 nan 8.280 nan 0.000 0.512 479 N N 4.746 122.855 118.700 -0.984 0.000 2.609 479 N HA 0.217 4.957 4.740 -0.000 0.000 0.234 479 N C 0.318 175.349 175.510 -0.798 0.000 1.001 479 N CA 0.454 53.133 53.050 -0.619 0.000 0.926 479 N CB 1.217 39.448 38.487 -0.426 0.000 1.130 479 N HN 0.926 nan 8.380 nan 0.000 0.510 480 A N 3.722 126.319 122.820 -0.373 0.000 1.948 480 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 480 A C 2.078 179.588 177.584 -0.125 0.000 1.177 480 A CA 2.107 54.093 52.037 -0.084 0.000 0.636 480 A CB -0.640 18.396 19.000 0.060 0.000 0.815 480 A HN 0.700 nan 8.150 nan 0.000 0.449 481 A N -0.656 122.078 122.820 -0.143 0.000 1.873 481 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 481 A C 2.387 179.898 177.584 -0.122 0.000 1.186 481 A CA 2.465 54.441 52.037 -0.102 0.000 0.616 481 A CB -1.158 17.791 19.000 -0.084 0.000 0.823 481 A HN 0.861 nan 8.150 nan 0.000 0.442 482 T N -3.597 110.843 114.554 -0.190 0.000 3.081 482 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 482 T C 0.360 174.936 174.700 -0.206 0.000 1.100 482 T CA 0.781 62.780 62.100 -0.168 0.000 1.038 482 T CB -0.342 68.426 68.868 -0.166 0.000 0.962 482 T HN 0.588 nan 8.240 nan 0.000 0.516 483 E N 1.495 121.492 120.200 -0.340 0.000 2.513 483 E HA -0.173 4.177 4.350 -0.000 0.000 0.257 483 E C -0.428 175.956 176.600 -0.360 0.000 1.098 483 E CA 0.861 57.078 56.400 -0.305 0.000 0.752 483 E CB -1.670 28.023 29.700 -0.012 0.000 1.324 483 E HN 0.974 nan 8.360 nan 0.000 0.403 484 E N -0.846 118.978 120.200 -0.627 0.000 2.352 484 E HA 0.439 4.789 4.350 -0.000 0.000 0.280 484 E C -0.740 175.611 176.600 -0.416 0.000 0.930 484 E CA -0.956 55.253 56.400 -0.318 0.000 0.765 484 E CB 0.855 30.507 29.700 -0.080 0.000 1.219 484 E HN 0.016 nan 8.360 nan 0.000 0.434 485 Y N 1.128 121.371 120.300 -0.095 0.000 2.296 485 Y HA 0.630 5.180 4.550 0.000 0.000 0.343 485 Y C 1.351 177.244 175.900 -0.012 0.000 1.292 485 Y CA 1.217 59.250 58.100 -0.111 0.000 1.490 485 Y CB 1.018 39.427 38.460 -0.086 0.000 1.359 485 Y HN 0.928 nan 8.280 nan 0.000 0.599 486 G N -0.031 108.868 108.800 0.164 0.000 2.351 486 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.279 486 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.279 486 G C -1.758 173.252 174.900 0.183 0.000 1.297 486 G CA -1.161 44.080 45.100 0.234 0.000 0.886 486 G HN 0.600 nan 8.290 nan 0.000 0.493 487 N N 1.162 119.944 118.700 0.137 0.000 2.411 487 N HA 0.166 4.906 4.740 -0.000 0.000 0.259 487 N C 1.792 177.327 175.510 0.042 0.000 1.103 487 N CA -0.514 52.596 53.050 0.101 0.000 0.954 487 N CB 0.834 39.369 38.487 0.080 0.000 1.085 487 N HN 0.392 nan 8.380 nan 0.000 0.485 488 M N 3.412 123.030 119.600 0.029 0.000 2.202 488 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 488 M C 1.508 177.810 176.300 0.004 0.000 1.063 488 M CA 1.050 56.350 55.300 0.000 0.000 1.097 488 M CB -0.541 32.059 32.600 0.000 0.000 1.382 488 M HN 0.542 nan 8.290 nan 0.000 0.413 489 I N 0.489 121.069 120.570 0.016 0.000 2.193 489 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 489 I C 1.842 177.964 176.117 0.009 0.000 1.084 489 I CA 1.289 62.596 61.300 0.012 0.000 1.365 489 I CB -1.529 36.481 38.000 0.017 0.000 1.064 489 I HN 0.247 nan 8.210 nan 0.000 0.410 490 D N 0.631 121.040 120.400 0.015 0.000 2.265 490 D HA -0.168 4.472 4.640 -0.000 0.000 0.208 490 D C 2.133 178.435 176.300 0.003 0.000 0.977 490 D CA 1.065 55.072 54.000 0.012 0.000 0.871 490 D CB -0.062 40.749 40.800 0.019 0.000 0.925 490 D HN 0.396 nan 8.370 nan 0.000 0.485 491 M N -0.977 118.622 119.600 -0.002 0.000 2.556 491 M HA 0.147 4.627 4.480 -0.000 0.000 0.245 491 M C 1.168 177.458 176.300 -0.017 0.000 1.128 491 M CA 0.506 55.797 55.300 -0.016 0.000 1.069 491 M CB 0.594 33.175 32.600 -0.032 0.000 1.469 491 M HN 0.018 nan 8.290 nan 0.000 0.494 492 G N 2.324 111.118 108.800 -0.010 0.000 2.160 492 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 492 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 492 G C 0.049 174.942 174.900 -0.012 0.000 1.022 492 G CA -0.236 44.858 45.100 -0.008 0.000 0.741 492 G HN 0.531 nan 8.290 nan 0.000 0.508 493 I N 1.515 122.076 120.570 -0.015 0.000 2.243 493 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 493 I C 0.634 176.746 176.117 -0.009 0.000 1.140 493 I CA -0.246 61.043 61.300 -0.018 0.000 1.289 493 I CB -0.026 37.956 38.000 -0.031 0.000 1.498 493 I HN 0.053 nan 8.210 nan 0.000 0.561 494 L N 3.540 124.760 121.223 -0.004 0.000 2.325 494 L HA 0.616 4.955 4.340 -0.000 0.000 0.278 494 L C -0.777 176.095 176.870 0.003 0.000 1.023 494 L CA -0.897 53.943 54.840 0.001 0.000 0.811 494 L CB 1.481 43.541 42.059 0.003 0.000 1.249 494 L HN 0.233 nan 8.230 nan 0.000 0.431 495 D N 3.051 123.454 120.400 0.004 0.000 2.391 495 D HA 0.297 4.937 4.640 -0.000 0.000 0.245 495 D C -2.482 173.822 176.300 0.007 0.000 1.069 495 D CA -1.426 52.578 54.000 0.006 0.000 0.831 495 D CB 1.995 42.797 40.800 0.004 0.000 1.204 495 D HN 0.274 nan 8.370 nan 0.000 0.503 496 P HA -0.041 nan 4.420 nan 0.000 0.261 496 P C 0.854 178.158 177.300 0.007 0.000 1.203 496 P CA 0.012 63.119 63.100 0.012 0.000 0.767 496 P CB 0.687 32.399 31.700 0.020 0.000 0.785 497 T N 3.428 117.984 114.554 0.004 0.000 2.635 497 T HA -0.268 4.082 4.350 -0.000 0.000 0.265 497 T C 1.671 176.367 174.700 -0.008 0.000 1.058 497 T CA 2.152 64.251 62.100 -0.002 0.000 1.162 497 T CB -0.470 68.397 68.868 -0.002 0.000 0.859 497 T HN 0.519 nan 8.240 nan 0.000 0.449 498 K N 0.765 121.163 120.400 -0.004 0.000 2.089 498 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 498 K C 2.400 178.990 176.600 -0.015 0.000 1.048 498 K CA 1.919 58.200 56.287 -0.010 0.000 0.926 498 K CB -0.377 32.126 32.500 0.005 0.000 0.714 498 K HN 0.442 nan 8.250 nan 0.000 0.448 499 V N -1.376 118.538 119.914 -0.000 0.000 2.283 499 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 499 V C 1.914 178.000 176.094 -0.014 0.000 1.039 499 V CA 2.200 64.502 62.300 0.003 0.000 1.016 499 V CB -1.239 30.594 31.823 0.017 0.000 0.650 499 V HN 0.280 nan 8.190 nan 0.000 0.449 500 T N 0.600 115.147 114.554 -0.011 0.000 2.685 500 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 500 T C 2.078 176.756 174.700 -0.035 0.000 1.034 500 T CA 2.376 64.467 62.100 -0.015 0.000 1.149 500 T CB -0.507 68.356 68.868 -0.010 0.000 0.860 500 T HN 0.542 nan 8.240 nan 0.000 0.449 501 R N 0.941 121.411 120.500 -0.050 0.000 2.062 501 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 501 R C 2.534 178.745 176.300 -0.149 0.000 1.128 501 R CA 1.654 57.706 56.100 -0.081 0.000 0.960 501 R CB -0.665 29.591 30.300 -0.074 0.000 0.855 501 R HN 0.334 nan 8.270 nan 0.000 0.432 502 S N 1.020 116.612 115.700 -0.180 0.000 2.368 502 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 502 S C 2.097 176.534 174.600 -0.273 0.000 1.030 502 S CA 1.266 59.239 58.200 -0.377 0.000 0.999 502 S CB -0.327 62.731 63.200 -0.236 0.000 0.844 502 S HN 0.553 nan 8.310 nan 0.000 0.459 503 A N 1.769 124.546 122.820 -0.071 0.000 1.940 503 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 503 A C 2.093 179.674 177.584 -0.004 0.000 1.176 503 A CA 1.213 53.258 52.037 0.013 0.000 0.631 503 A CB -0.682 18.328 19.000 0.018 0.000 0.814 503 A HN 0.442 nan 8.150 nan 0.000 0.446 504 L N -0.346 120.850 121.223 -0.045 0.000 2.044 504 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 504 L C 2.487 179.333 176.870 -0.040 0.000 1.075 504 L CA 2.214 57.035 54.840 -0.031 0.000 0.747 504 L CB -1.262 40.776 42.059 -0.036 0.000 0.903 504 L HN 0.552 nan 8.230 nan 0.000 0.435 505 Q N -0.852 118.879 119.800 -0.116 0.000 1.948 505 Q HA -0.260 4.080 4.340 -0.000 0.000 0.205 505 Q C 2.113 178.108 176.000 -0.007 0.000 0.992 505 Q CA 2.029 57.755 55.803 -0.128 0.000 0.849 505 Q CB -0.492 28.067 28.738 -0.298 0.000 0.918 505 Q HN 0.405 nan 8.270 nan 0.000 0.421 506 Y N 0.608 120.910 120.300 0.004 0.000 2.102 506 Y HA -0.293 4.257 4.550 0.000 0.000 0.280 506 Y C 2.483 178.384 175.900 0.002 0.000 1.178 506 Y CA 0.879 58.981 58.100 0.003 0.000 1.146 506 Y CB -1.293 37.168 38.460 0.002 0.000 0.968 506 Y HN 0.207 nan 8.280 nan 0.000 0.504 507 A N 0.066 122.984 122.820 0.164 0.000 1.851 507 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 507 A C 2.582 180.205 177.584 0.066 0.000 1.195 507 A CA 2.583 54.674 52.037 0.090 0.000 0.622 507 A CB -1.389 17.645 19.000 0.058 0.000 0.831 507 A HN 0.414 nan 8.150 nan 0.000 0.444 508 A N -0.970 121.881 122.820 0.051 0.000 1.865 508 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 508 A C 2.457 180.068 177.584 0.046 0.000 1.191 508 A CA 2.465 54.525 52.037 0.037 0.000 0.623 508 A CB -1.325 17.689 19.000 0.023 0.000 0.826 508 A HN 0.679 nan 8.150 nan 0.000 0.444 509 S N -0.832 114.908 115.700 0.067 0.000 2.393 509 S HA -0.267 4.203 4.470 -0.000 0.000 0.234 509 S C 2.004 176.637 174.600 0.055 0.000 1.064 509 S CA 3.112 61.356 58.200 0.074 0.000 1.088 509 S CB -0.926 62.352 63.200 0.130 0.000 0.939 509 S HN 1.136 nan 8.310 nan 0.000 0.448 510 V N -0.384 119.563 119.914 0.054 0.000 2.300 510 V HA 0.280 4.400 4.120 -0.000 0.000 0.241 510 V C 2.543 178.654 176.094 0.028 0.000 1.034 510 V CA 1.311 63.631 62.300 0.034 0.000 1.021 510 V CB -1.756 30.083 31.823 0.026 0.000 0.662 510 V HN 0.518 nan 8.190 nan 0.000 0.458 511 A N 1.693 124.531 122.820 0.030 0.000 1.894 511 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 511 A C 2.481 180.078 177.584 0.021 0.000 1.237 511 A CA 3.518 55.569 52.037 0.024 0.000 0.660 511 A CB -1.896 17.118 19.000 0.024 0.000 0.835 511 A HN 1.005 nan 8.150 nan 0.000 0.461 512 G N -0.541 108.272 108.800 0.023 0.000 2.631 512 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 512 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 512 G C 1.573 176.483 174.900 0.017 0.000 1.214 512 G CA 1.405 46.516 45.100 0.019 0.000 0.785 512 G HN 0.494 nan 8.290 nan 0.000 0.596 513 L N -0.503 120.731 121.223 0.019 0.000 1.971 513 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 513 L C 3.033 179.911 176.870 0.014 0.000 1.072 513 L CA 1.921 56.770 54.840 0.016 0.000 0.758 513 L CB -0.401 41.667 42.059 0.015 0.000 0.889 513 L HN 0.286 nan 8.230 nan 0.000 0.433 514 M N -0.089 119.520 119.600 0.014 0.000 2.103 514 M HA -0.290 4.190 4.480 -0.000 0.000 0.255 514 M C 2.072 178.379 176.300 0.012 0.000 1.074 514 M CA 2.123 57.431 55.300 0.013 0.000 1.090 514 M CB -0.379 32.230 32.600 0.015 0.000 1.325 514 M HN 0.383 nan 8.290 nan 0.000 0.403 515 I N -2.185 118.393 120.570 0.012 0.000 3.334 515 I HA -0.056 4.114 4.170 -0.000 0.000 0.282 515 I C 1.132 177.255 176.117 0.011 0.000 1.313 515 I CA 1.302 62.608 61.300 0.011 0.000 1.396 515 I CB -0.882 37.124 38.000 0.011 0.000 1.054 515 I HN 0.290 nan 8.210 nan 0.000 0.495 516 T N -1.920 112.641 114.554 0.011 0.000 3.214 516 T HA 0.238 4.588 4.350 -0.000 0.000 0.264 516 T C 0.485 175.192 174.700 0.011 0.000 1.012 516 T CA -0.392 61.715 62.100 0.012 0.000 0.901 516 T CB -0.729 68.147 68.868 0.013 0.000 1.070 516 T HN 0.216 nan 8.240 nan 0.000 0.561 517 T N 2.203 116.762 114.554 0.009 0.000 2.869 517 T HA 0.354 4.704 4.350 -0.000 0.000 0.295 517 T C 0.713 175.417 174.700 0.007 0.000 0.987 517 T CA -0.362 61.740 62.100 0.004 0.000 1.109 517 T CB 1.747 70.615 68.868 0.000 0.000 0.932 517 T HN 0.340 nan 8.240 nan 0.000 0.518 518 E N 0.492 120.697 120.200 0.008 0.000 2.500 518 E HA 0.205 4.555 4.350 -0.000 0.000 0.217 518 E C -0.057 176.554 176.600 0.018 0.000 0.848 518 E CA -0.112 56.309 56.400 0.035 0.000 1.217 518 E CB 0.559 30.297 29.700 0.063 0.000 1.217 518 E HN 0.639 nan 8.360 nan 0.000 0.573 519 C N 0.227 119.486 119.300 -0.068 0.000 3.173 519 C HA 0.813 5.273 4.460 -0.000 0.000 0.310 519 C C -1.679 173.203 174.990 -0.181 0.000 1.306 519 C CA -0.650 58.219 59.018 -0.248 0.000 1.426 519 C CB 0.769 28.258 27.740 -0.419 0.000 1.800 519 C HN 0.326 nan 8.230 nan 0.000 0.470 520 M N 4.081 123.556 119.600 -0.209 0.000 2.322 520 M HA 0.534 5.014 4.480 -0.000 0.000 0.286 520 M C -1.263 175.093 176.300 0.094 0.000 1.111 520 M CA -0.443 54.855 55.300 -0.005 0.000 0.941 520 M CB 2.141 34.814 32.600 0.122 0.000 1.671 520 M HN 0.423 nan 8.290 nan 0.000 0.470 521 V N 0.830 120.787 119.914 0.072 0.000 2.555 521 V HA 0.922 5.042 4.120 -0.000 0.000 0.302 521 V C -0.239 175.848 176.094 -0.012 0.000 1.038 521 V CA -0.455 61.874 62.300 0.049 0.000 0.887 521 V CB 1.898 33.710 31.823 -0.018 0.000 0.991 521 V HN 0.962 nan 8.190 nan 0.000 0.434 522 T N 1.664 116.164 114.554 -0.089 0.000 2.718 522 T HA 0.369 4.719 4.350 -0.000 0.000 0.306 522 T C -1.556 173.038 174.700 -0.177 0.000 1.485 522 T CA -0.518 61.456 62.100 -0.211 0.000 0.997 522 T CB 1.871 70.449 68.868 -0.482 0.000 1.504 522 T HN 0.706 nan 8.240 nan 0.000 0.497 523 D N 0.872 121.170 120.400 -0.169 0.000 2.377 523 D HA 0.484 5.124 4.640 -0.000 0.000 0.245 523 D C 0.097 176.323 176.300 -0.123 0.000 1.196 523 D CA -0.188 53.744 54.000 -0.113 0.000 0.962 523 D CB 0.410 41.156 40.800 -0.089 0.000 1.127 523 D HN 0.386 nan 8.370 nan 0.000 0.471 524 L N 1.769 122.953 121.223 -0.066 0.000 2.418 524 L HA 0.319 4.659 4.340 -0.000 0.000 0.265 524 L C -1.407 175.435 176.870 -0.048 0.000 1.143 524 L CA -1.538 53.276 54.840 -0.043 0.000 0.809 524 L CB 0.171 42.223 42.059 -0.012 0.000 1.124 524 L HN 0.376 nan 8.230 nan 0.000 0.456 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.084 63.100 -0.026 0.000 0.800 525 P CB 0.000 31.698 31.700 -0.004 0.000 0.726