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 1j4z_1_N DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.296 124.114 122.820 -0.003 0.000 2.547 3 A HA 0.390 4.710 4.320 -0.000 0.000 0.269 3 A C 0.431 178.011 177.584 -0.007 0.000 1.041 3 A CA 0.676 52.711 52.037 -0.004 0.000 0.855 3 A CB -0.733 18.262 19.000 -0.008 0.000 0.934 3 A HN 0.544 nan 8.150 nan 0.000 0.521 4 K N 1.864 122.265 120.400 0.002 0.000 2.098 4 K HA 0.386 4.706 4.320 -0.000 0.000 0.244 4 K C -0.533 176.068 176.600 0.001 0.000 1.014 4 K CA -0.622 55.668 56.287 0.005 0.000 0.917 4 K CB 0.876 33.390 32.500 0.023 0.000 1.072 4 K HN 0.726 nan 8.250 nan 0.000 0.477 5 D N 0.331 120.736 120.400 0.008 0.000 2.362 5 D HA 0.397 5.037 4.640 -0.000 0.000 0.247 5 D C -1.458 174.897 176.300 0.092 0.000 1.050 5 D CA -0.687 53.322 54.000 0.014 0.000 0.839 5 D CB 1.440 42.206 40.800 -0.057 0.000 1.283 5 D HN 0.039 nan 8.370 nan 0.000 0.477 6 V N 3.972 123.893 119.914 0.012 0.000 2.577 6 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 6 V C -0.220 175.637 176.094 -0.396 0.000 1.042 6 V CA -0.746 61.471 62.300 -0.139 0.000 0.872 6 V CB 1.991 33.688 31.823 -0.210 0.000 0.998 6 V HN 0.453 nan 8.190 nan 0.000 0.423 7 K N 3.601 123.706 120.400 -0.492 0.000 2.318 7 K HA 0.816 5.136 4.320 -0.000 0.000 0.249 7 K C -1.715 174.527 176.600 -0.597 0.000 0.942 7 K CA -0.499 55.447 56.287 -0.569 0.000 0.808 7 K CB 2.329 34.623 32.500 -0.344 0.000 1.189 7 K HN 0.447 nan 8.250 nan 0.000 0.428 8 F N -0.216 119.688 119.950 -0.076 0.000 2.620 8 F HA 0.578 5.105 4.527 -0.000 0.000 0.320 8 F C 0.867 176.633 175.800 -0.058 0.000 1.069 8 F CA -0.472 57.487 58.000 -0.069 0.000 0.953 8 F CB 1.310 40.287 39.000 -0.038 0.000 1.322 8 F HN 0.773 nan 8.300 nan 0.000 0.479 9 G N 1.423 110.323 108.800 0.167 0.000 2.601 9 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G C 0.819 175.737 174.900 0.030 0.000 1.289 9 G CA 0.400 45.545 45.100 0.074 0.000 0.920 9 G HN 0.828 nan 8.290 nan 0.000 0.571 10 N N 0.311 119.024 118.700 0.022 0.000 2.100 10 N HA -0.276 4.464 4.740 -0.000 0.000 0.199 10 N C 1.735 177.242 175.510 -0.005 0.000 1.017 10 N CA 2.291 55.345 53.050 0.008 0.000 0.890 10 N CB -0.395 38.100 38.487 0.012 0.000 1.080 10 N HN 0.695 nan 8.380 nan 0.000 0.525 11 D N 0.742 121.141 120.400 -0.001 0.000 2.303 11 D HA -0.264 4.376 4.640 -0.000 0.000 0.190 11 D C 1.835 178.091 176.300 -0.073 0.000 1.011 11 D CA 1.883 55.874 54.000 -0.016 0.000 0.860 11 D CB -0.779 40.015 40.800 -0.010 0.000 0.961 11 D HN 0.435 nan 8.370 nan 0.000 0.453 12 A N 0.001 122.748 122.820 -0.121 0.000 2.042 12 A HA -0.261 4.059 4.320 -0.000 0.000 0.222 12 A C 2.128 179.615 177.584 -0.161 0.000 1.167 12 A CA 1.949 53.847 52.037 -0.232 0.000 0.649 12 A CB -0.384 18.520 19.000 -0.160 0.000 0.809 12 A HN 0.185 nan 8.150 nan 0.000 0.457 13 R N -1.055 119.400 120.500 -0.077 0.000 2.062 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.218 13 R C 2.229 178.513 176.300 -0.028 0.000 1.161 13 R CA 1.121 57.193 56.100 -0.046 0.000 0.994 13 R CB -0.768 29.518 30.300 -0.024 0.000 0.888 13 R HN 0.508 nan 8.270 nan 0.000 0.442 14 V N 0.872 120.777 119.914 -0.014 0.000 2.428 14 V HA -0.296 3.824 4.120 -0.000 0.000 0.255 14 V C 1.874 177.974 176.094 0.010 0.000 1.080 14 V CA 1.703 64.004 62.300 0.001 0.000 1.083 14 V CB -0.523 31.305 31.823 0.008 0.000 0.665 14 V HN 0.147 nan 8.190 nan 0.000 0.461 15 K N -0.097 120.308 120.400 0.008 0.000 2.002 15 K HA -0.002 4.318 4.320 -0.000 0.000 0.209 15 K C 2.271 178.891 176.600 0.033 0.000 1.048 15 K CA 2.119 58.435 56.287 0.047 0.000 0.930 15 K CB -0.567 31.985 32.500 0.087 0.000 0.714 15 K HN 0.546 nan 8.250 nan 0.000 0.438 16 M N 0.512 120.110 119.600 -0.004 0.000 2.080 16 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 16 M C 2.215 178.519 176.300 0.007 0.000 1.068 16 M CA 1.250 56.550 55.300 -0.000 0.000 1.109 16 M CB -0.416 32.170 32.600 -0.023 0.000 1.342 16 M HN 0.069 nan 8.290 nan 0.000 0.405 17 L N 0.732 121.957 121.223 0.003 0.000 1.943 17 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 17 L C 2.426 179.302 176.870 0.010 0.000 1.074 17 L CA 2.083 56.926 54.840 0.005 0.000 0.759 17 L CB -1.012 41.049 42.059 0.003 0.000 0.888 17 L HN 0.152 nan 8.230 nan 0.000 0.433 18 R N 0.330 120.839 120.500 0.014 0.000 2.154 18 R HA -0.127 4.213 4.340 -0.000 0.000 0.248 18 R C 2.092 178.403 176.300 0.018 0.000 1.155 18 R CA 1.785 57.894 56.100 0.016 0.000 0.979 18 R CB -1.515 28.798 30.300 0.021 0.000 0.869 18 R HN 0.618 nan 8.270 nan 0.000 0.452 19 G N -0.612 108.202 108.800 0.024 0.000 2.403 19 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 19 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 19 G C 1.404 176.314 174.900 0.016 0.000 1.154 19 G CA 0.926 46.041 45.100 0.026 0.000 0.784 19 G HN 0.361 nan 8.290 nan 0.000 0.538 20 V N -1.092 118.829 119.914 0.012 0.000 2.649 20 V HA 0.003 4.123 4.120 -0.000 0.000 0.248 20 V C 2.181 178.278 176.094 0.006 0.000 1.054 20 V CA 1.612 63.917 62.300 0.008 0.000 1.073 20 V CB -0.618 31.208 31.823 0.006 0.000 0.699 20 V HN 0.127 nan 8.190 nan 0.000 0.463 21 N N 1.053 119.757 118.700 0.006 0.000 2.258 21 N HA -0.131 4.609 4.740 -0.000 0.000 0.187 21 N C 1.629 177.141 175.510 0.003 0.000 1.012 21 N CA 1.694 54.746 53.050 0.004 0.000 0.870 21 N CB -0.421 38.069 38.487 0.005 0.000 0.977 21 N HN 0.531 nan 8.380 nan 0.000 0.434 22 V N 0.698 120.614 119.914 0.004 0.000 2.256 22 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 22 V C 2.320 178.414 176.094 -0.000 0.000 1.036 22 V CA 0.813 63.114 62.300 0.002 0.000 1.008 22 V CB -0.660 31.164 31.823 0.002 0.000 0.648 22 V HN 0.173 nan 8.190 nan 0.000 0.453 23 L N 0.784 122.008 121.223 0.000 0.000 2.103 23 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 23 L C 2.211 179.079 176.870 -0.002 0.000 1.080 23 L CA 2.539 57.378 54.840 -0.002 0.000 0.764 23 L CB -1.011 41.047 42.059 -0.001 0.000 0.890 23 L HN 0.292 nan 8.230 nan 0.000 0.435 24 A N -0.802 122.018 122.820 -0.001 0.000 1.824 24 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 24 A C 1.925 179.507 177.584 -0.002 0.000 1.244 24 A CA 1.373 53.409 52.037 -0.001 0.000 0.604 24 A CB -1.184 17.816 19.000 0.000 0.000 0.900 24 A HN 0.486 nan 8.150 nan 0.000 0.455 25 D N 0.244 120.643 120.400 -0.002 0.000 2.311 25 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 25 D C 1.505 177.802 176.300 -0.004 0.000 1.000 25 D CA 1.553 55.551 54.000 -0.003 0.000 0.910 25 D CB -0.271 40.527 40.800 -0.003 0.000 0.900 25 D HN 0.438 nan 8.370 nan 0.000 0.463 26 A N -0.463 122.354 122.820 -0.004 0.000 2.379 26 A HA 0.299 4.619 4.320 -0.000 0.000 0.236 26 A C 1.643 179.224 177.584 -0.005 0.000 1.272 26 A CA -0.089 51.945 52.037 -0.005 0.000 0.886 26 A CB 0.614 19.611 19.000 -0.005 0.000 0.962 26 A HN 0.127 nan 8.150 nan 0.000 0.504 27 V N -0.770 119.141 119.914 -0.005 0.000 3.245 27 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 27 V C 1.630 177.721 176.094 -0.005 0.000 1.487 27 V CA 0.873 63.170 62.300 -0.006 0.000 1.154 27 V CB 0.015 31.834 31.823 -0.005 0.000 0.971 27 V HN 0.662 nan 8.190 nan 0.000 0.443 28 K N 2.336 122.732 120.400 -0.005 0.000 2.687 28 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 28 K C 1.164 177.759 176.600 -0.008 0.000 1.018 28 K CA 1.447 57.731 56.287 -0.006 0.000 1.035 28 K CB -0.190 32.306 32.500 -0.007 0.000 0.834 28 K HN 0.527 nan 8.250 nan 0.000 0.496 29 V N -2.976 116.934 119.914 -0.007 0.000 3.048 29 V HA -0.027 4.093 4.120 -0.000 0.000 0.241 29 V C 2.064 178.154 176.094 -0.006 0.000 1.129 29 V CA 0.701 62.996 62.300 -0.007 0.000 1.128 29 V CB -0.203 31.616 31.823 -0.006 0.000 0.849 29 V HN 0.437 nan 8.190 nan 0.000 0.475 30 T N -0.561 113.989 114.554 -0.006 0.000 3.400 30 T HA 0.146 4.496 4.350 -0.000 0.000 0.254 30 T C 0.424 175.121 174.700 -0.005 0.000 1.153 30 T CA 0.104 62.201 62.100 -0.005 0.000 1.012 30 T CB -0.900 67.965 68.868 -0.005 0.000 0.994 30 T HN 0.273 nan 8.240 nan 0.000 0.555 31 L N 2.242 123.462 121.223 -0.006 0.000 2.361 31 L HA 0.583 4.923 4.340 -0.000 0.000 0.278 31 L C 1.001 177.868 176.870 -0.004 0.000 1.113 31 L CA 1.477 56.313 54.840 -0.005 0.000 0.849 31 L CB -0.306 41.748 42.059 -0.008 0.000 1.155 31 L HN 0.644 nan 8.230 nan 0.000 0.452 32 G N 5.067 113.866 108.800 -0.002 0.000 2.542 32 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.235 32 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.235 32 G C -1.966 172.935 174.900 0.002 0.000 1.286 32 G CA -0.050 45.051 45.100 0.002 0.000 0.904 32 G HN 0.604 nan 8.290 nan 0.000 0.577 33 P HA 0.229 nan 4.420 nan 0.000 0.226 33 P C 0.898 178.200 177.300 0.004 0.000 1.160 33 P CA 0.791 63.893 63.100 0.004 0.000 0.837 33 P CB 0.252 31.955 31.700 0.005 0.000 0.860 34 K N 1.099 121.503 120.400 0.006 0.000 2.596 34 K HA 0.279 4.599 4.320 -0.000 0.000 0.211 34 K C 0.995 177.596 176.600 0.001 0.000 1.046 34 K CA -0.143 56.147 56.287 0.005 0.000 1.202 34 K CB -0.356 32.150 32.500 0.010 0.000 0.925 34 K HN 0.109 nan 8.250 nan 0.000 0.486 35 G N 1.374 110.173 108.800 -0.001 0.000 2.483 35 G HA2 0.152 4.112 3.960 -0.000 0.000 0.248 35 G HA3 0.152 4.112 3.960 -0.000 0.000 0.248 35 G C 0.214 175.112 174.900 -0.003 0.000 1.248 35 G CA -0.451 44.647 45.100 -0.003 0.000 0.838 35 G HN 0.070 nan 8.290 nan 0.000 0.566 36 R N 0.815 121.313 120.500 -0.004 0.000 2.541 36 R HA 0.287 4.627 4.340 -0.000 0.000 0.254 36 R C -0.294 176.004 176.300 -0.003 0.000 1.130 36 R CA -0.911 55.187 56.100 -0.003 0.000 1.152 36 R CB 0.071 30.368 30.300 -0.004 0.000 1.222 36 R HN 0.575 nan 8.270 nan 0.000 0.579 37 N N -1.019 117.679 118.700 -0.003 0.000 2.443 37 N HA 0.372 5.112 4.740 -0.000 0.000 0.295 37 N C -1.121 174.387 175.510 -0.004 0.000 1.076 37 N CA -0.503 52.545 53.050 -0.003 0.000 0.919 37 N CB 1.735 40.221 38.487 -0.002 0.000 1.176 37 N HN 0.091 nan 8.380 nan 0.000 0.487 38 V N 1.987 121.899 119.914 -0.004 0.000 2.448 38 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 38 V C -0.501 175.590 176.094 -0.005 0.000 1.025 38 V CA -0.829 61.468 62.300 -0.005 0.000 0.859 38 V CB 1.734 33.553 31.823 -0.006 0.000 0.988 38 V HN 0.376 nan 8.190 nan 0.000 0.431 39 V N 6.330 126.241 119.914 -0.005 0.000 2.383 39 V HA 0.427 4.547 4.120 -0.000 0.000 0.275 39 V C -0.064 176.025 176.094 -0.007 0.000 1.036 39 V CA -0.463 61.835 62.300 -0.005 0.000 0.889 39 V CB 1.203 33.023 31.823 -0.004 0.000 0.985 39 V HN 0.624 nan 8.190 nan 0.000 0.459 40 L N 3.645 124.863 121.223 -0.007 0.000 2.321 40 L HA 0.402 4.742 4.340 -0.000 0.000 0.272 40 L C 0.159 177.021 176.870 -0.013 0.000 1.050 40 L CA -0.486 54.348 54.840 -0.011 0.000 0.893 40 L CB 0.848 42.901 42.059 -0.010 0.000 1.272 40 L HN 0.621 nan 8.230 nan 0.000 0.435 41 D N 3.214 123.605 120.400 -0.016 0.000 2.571 41 D HA -0.022 4.618 4.640 -0.000 0.000 0.231 41 D C -0.029 176.254 176.300 -0.028 0.000 1.133 41 D CA 1.038 55.026 54.000 -0.020 0.000 0.862 41 D CB 0.882 41.668 40.800 -0.023 0.000 1.179 41 D HN 0.336 nan 8.370 nan 0.000 0.474 42 K N 1.029 121.412 120.400 -0.028 0.000 2.238 42 K HA 0.359 4.679 4.320 -0.000 0.000 0.239 42 K C 1.039 177.597 176.600 -0.071 0.000 0.987 42 K CA -0.604 55.659 56.287 -0.039 0.000 0.857 42 K CB 1.236 33.730 32.500 -0.011 0.000 1.154 42 K HN 0.547 nan 8.250 nan 0.000 0.439 43 S N 0.875 116.491 115.700 -0.139 0.000 2.309 43 S HA 0.044 4.514 4.470 -0.000 0.000 0.206 43 S C 0.469 174.954 174.600 -0.191 0.000 1.028 43 S CA 0.482 58.511 58.200 -0.284 0.000 0.972 43 S CB -0.343 62.521 63.200 -0.560 0.000 0.961 43 S HN 0.367 nan 8.310 nan 0.000 0.449 44 F N 3.145 123.094 119.950 -0.002 0.000 2.404 44 F HA 0.705 5.232 4.527 -0.000 0.000 0.358 44 F C 1.241 177.040 175.800 -0.001 0.000 1.120 44 F CA 0.042 58.041 58.000 -0.002 0.000 1.144 44 F CB 0.574 39.573 39.000 -0.002 0.000 1.133 44 F HN 0.817 nan 8.300 nan 0.000 0.495 45 G N 1.333 110.246 108.800 0.188 0.000 2.352 45 G HA2 0.380 4.340 3.960 -0.000 0.000 0.324 45 G HA3 0.380 4.340 3.960 -0.000 0.000 0.324 45 G C -1.472 173.466 174.900 0.063 0.000 1.249 45 G CA -0.587 44.574 45.100 0.102 0.000 1.053 45 G HN 0.904 nan 8.290 nan 0.000 0.492 46 A N 0.490 123.336 122.820 0.043 0.000 2.303 46 A HA 0.873 5.193 4.320 -0.000 0.000 0.317 46 A C -1.631 175.965 177.584 0.019 0.000 1.149 46 A CA -0.767 51.286 52.037 0.027 0.000 0.822 46 A CB 0.179 19.192 19.000 0.022 0.000 1.131 46 A HN 0.673 nan 8.150 nan 0.000 0.493 47 P HA 0.150 nan 4.420 nan 0.000 0.270 47 P C -0.268 177.035 177.300 0.005 0.000 1.221 47 P CA 0.373 63.476 63.100 0.004 0.000 0.788 47 P CB 0.339 32.040 31.700 0.002 0.000 0.904 48 T N 1.737 116.292 114.554 0.001 0.000 2.797 48 T HA 0.555 4.905 4.350 -0.000 0.000 0.279 48 T C 0.060 174.760 174.700 -0.000 0.000 0.991 48 T CA -0.341 61.760 62.100 0.002 0.000 0.979 48 T CB 0.243 69.112 68.868 0.001 0.000 0.943 48 T HN 0.153 nan 8.240 nan 0.000 0.444 49 I N 2.609 123.180 120.570 0.001 0.000 2.362 49 I HA 0.602 4.772 4.170 -0.000 0.000 0.289 49 I C 0.382 176.498 176.117 -0.001 0.000 0.994 49 I CA -0.502 60.798 61.300 -0.000 0.000 1.158 49 I CB 1.790 39.790 38.000 0.001 0.000 1.315 49 I HN 0.516 nan 8.210 nan 0.000 0.451 50 T N 4.122 118.675 114.554 -0.002 0.000 2.739 50 T HA 0.405 4.755 4.350 -0.000 0.000 0.303 50 T C -0.353 174.344 174.700 -0.004 0.000 1.389 50 T CA -0.567 61.532 62.100 -0.003 0.000 1.001 50 T CB 1.811 70.677 68.868 -0.003 0.000 1.436 50 T HN 0.686 nan 8.240 nan 0.000 0.500 51 K N 0.753 121.151 120.400 -0.004 0.000 2.533 51 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 51 K C -0.852 175.744 176.600 -0.006 0.000 1.096 51 K CA -0.260 56.024 56.287 -0.004 0.000 1.056 51 K CB 0.629 33.127 32.500 -0.004 0.000 0.890 51 K HN 0.368 nan 8.250 nan 0.000 0.552 52 D N 0.923 121.319 120.400 -0.006 0.000 2.483 52 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 52 D C 1.319 177.613 176.300 -0.009 0.000 1.173 52 D CA -0.071 53.924 54.000 -0.009 0.000 0.964 52 D CB 0.663 41.457 40.800 -0.009 0.000 1.046 52 D HN 0.278 nan 8.370 nan 0.000 0.517 53 G N 2.099 110.894 108.800 -0.009 0.000 2.581 53 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.223 53 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.223 53 G C 1.438 176.331 174.900 -0.011 0.000 1.094 53 G CA 0.935 46.030 45.100 -0.009 0.000 0.736 53 G HN 0.472 nan 8.290 nan 0.000 0.588 54 V N 0.490 120.396 119.914 -0.013 0.000 2.283 54 V HA -0.126 3.994 4.120 -0.000 0.000 0.243 54 V C 2.984 179.069 176.094 -0.014 0.000 1.039 54 V CA 2.117 64.407 62.300 -0.015 0.000 1.016 54 V CB -0.605 31.206 31.823 -0.019 0.000 0.650 54 V HN 0.365 nan 8.190 nan 0.000 0.449 55 S N -0.059 115.633 115.700 -0.012 0.000 2.399 55 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 55 S C 1.970 176.563 174.600 -0.011 0.000 1.022 55 S CA 1.320 59.514 58.200 -0.011 0.000 0.983 55 S CB -0.161 63.033 63.200 -0.009 0.000 0.803 55 S HN 0.356 nan 8.310 nan 0.000 0.480 56 V N 1.579 121.487 119.914 -0.010 0.000 2.515 56 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 56 V C 2.435 178.523 176.094 -0.011 0.000 1.058 56 V CA 1.465 63.760 62.300 -0.010 0.000 1.064 56 V CB -1.037 30.781 31.823 -0.008 0.000 0.675 56 V HN 0.521 nan 8.190 nan 0.000 0.461 57 A N -0.188 122.626 122.820 -0.011 0.000 1.832 57 A HA -0.185 4.135 4.320 -0.000 0.000 0.214 57 A C 2.335 179.911 177.584 -0.013 0.000 1.200 57 A CA 1.568 53.598 52.037 -0.012 0.000 0.610 57 A CB -0.646 18.346 19.000 -0.014 0.000 0.842 57 A HN 0.376 nan 8.150 nan 0.000 0.444 58 R N -0.219 120.272 120.500 -0.014 0.000 2.196 58 R HA -0.189 4.151 4.340 -0.000 0.000 0.259 58 R C 0.955 177.247 176.300 -0.015 0.000 1.154 58 R CA 1.720 57.811 56.100 -0.015 0.000 0.976 58 R CB -0.343 29.948 30.300 -0.014 0.000 0.888 58 R HN 0.513 nan 8.270 nan 0.000 0.453 59 E N 0.115 120.307 120.200 -0.014 0.000 2.416 59 E HA 0.057 4.407 4.350 -0.000 0.000 0.189 59 E C 0.121 176.712 176.600 -0.015 0.000 1.091 59 E CA 0.210 56.601 56.400 -0.016 0.000 0.889 59 E CB 0.137 29.828 29.700 -0.016 0.000 1.015 59 E HN 0.230 nan 8.360 nan 0.000 0.479 60 I N 1.051 121.614 120.570 -0.013 0.000 2.460 60 I HA 0.314 4.484 4.170 -0.000 0.000 0.298 60 I C 0.121 176.231 176.117 -0.010 0.000 0.989 60 I CA -0.353 60.940 61.300 -0.011 0.000 1.173 60 I CB 1.505 39.500 38.000 -0.009 0.000 1.338 60 I HN -0.022 nan 8.210 nan 0.000 0.456 61 E N 6.539 126.734 120.200 -0.009 0.000 2.879 61 E HA 0.276 4.626 4.350 -0.000 0.000 0.345 61 E C -1.893 174.702 176.600 -0.009 0.000 0.955 61 E CA -0.422 55.973 56.400 -0.008 0.000 0.801 61 E CB 1.193 30.886 29.700 -0.012 0.000 1.324 61 E HN 0.442 nan 8.360 nan 0.000 0.417 62 L N 2.699 123.919 121.223 -0.005 0.000 2.472 62 L HA 0.421 4.761 4.340 -0.000 0.000 0.256 62 L C 1.644 178.506 176.870 -0.014 0.000 1.111 62 L CA -0.483 54.353 54.840 -0.007 0.000 0.800 62 L CB 0.657 42.717 42.059 0.001 0.000 1.286 62 L HN 0.736 nan 8.230 nan 0.000 0.479 63 E N 0.293 120.482 120.200 -0.018 0.000 2.022 63 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 63 E C 0.415 176.989 176.600 -0.043 0.000 0.973 63 E CA 0.097 56.479 56.400 -0.030 0.000 0.816 63 E CB 0.118 29.800 29.700 -0.029 0.000 0.781 63 E HN 0.692 nan 8.360 nan 0.000 0.456 64 D N 1.352 121.728 120.400 -0.040 0.000 2.518 64 D HA -0.113 4.527 4.640 -0.000 0.000 0.270 64 D C 0.654 176.913 176.300 -0.069 0.000 1.338 64 D CA 0.184 54.145 54.000 -0.064 0.000 0.983 64 D CB 0.552 41.337 40.800 -0.026 0.000 1.126 64 D HN 0.127 nan 8.370 nan 0.000 0.543 65 K N 3.418 123.730 120.400 -0.147 0.000 2.184 65 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 65 K C 1.703 178.313 176.600 0.017 0.000 1.048 65 K CA 1.331 57.539 56.287 -0.132 0.000 0.931 65 K CB -0.358 31.983 32.500 -0.265 0.000 0.718 65 K HN 0.462 nan 8.250 nan 0.000 0.465 66 F N 1.414 121.351 119.950 -0.022 0.000 2.074 66 F HA -0.026 4.501 4.527 -0.000 0.000 0.290 66 F C 2.483 178.274 175.800 -0.015 0.000 1.118 66 F CA 0.614 58.602 58.000 -0.020 0.000 1.199 66 F CB -1.164 37.821 39.000 -0.025 0.000 1.012 66 F HN 0.087 nan 8.300 nan 0.000 0.472 67 E N 0.273 120.589 120.200 0.194 0.000 2.108 67 E HA -0.358 3.992 4.350 -0.000 0.000 0.203 67 E C 1.898 178.541 176.600 0.072 0.000 1.022 67 E CA 1.902 58.361 56.400 0.098 0.000 0.823 67 E CB -0.686 29.051 29.700 0.061 0.000 0.744 67 E HN 0.409 nan 8.360 nan 0.000 0.456 68 N N 0.489 119.226 118.700 0.062 0.000 2.094 68 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 68 N C 1.910 177.449 175.510 0.049 0.000 1.023 68 N CA 1.529 54.603 53.050 0.040 0.000 0.857 68 N CB -0.055 38.446 38.487 0.024 0.000 1.013 68 N HN 0.091 nan 8.380 nan 0.000 0.426 69 M N -0.425 119.225 119.600 0.084 0.000 2.082 69 M HA -0.138 4.342 4.480 -0.000 0.000 0.258 69 M C 2.192 178.519 176.300 0.044 0.000 1.069 69 M CA 1.904 57.249 55.300 0.076 0.000 1.102 69 M CB -0.810 31.864 32.600 0.125 0.000 1.336 69 M HN 0.421 nan 8.290 nan 0.000 0.404 70 G N -0.236 108.588 108.800 0.041 0.000 2.524 70 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 70 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 70 G C 1.528 176.437 174.900 0.015 0.000 1.239 70 G CA 1.016 46.128 45.100 0.020 0.000 0.798 70 G HN 0.564 nan 8.290 nan 0.000 0.557 71 A N -0.601 122.229 122.820 0.018 0.000 2.148 71 A HA -0.124 4.196 4.320 -0.000 0.000 0.222 71 A C 2.265 179.852 177.584 0.006 0.000 1.161 71 A CA 2.005 54.048 52.037 0.010 0.000 0.662 71 A CB -0.256 18.750 19.000 0.011 0.000 0.799 71 A HN 0.388 nan 8.150 nan 0.000 0.466 72 Q N -1.480 118.326 119.800 0.009 0.000 2.408 72 Q HA 0.156 4.496 4.340 -0.000 0.000 0.205 72 Q C 1.873 177.872 176.000 -0.002 0.000 0.919 72 Q CA 0.579 56.384 55.803 0.003 0.000 0.932 72 Q CB 0.036 28.780 28.738 0.009 0.000 1.058 72 Q HN 0.829 nan 8.270 nan 0.000 0.517 73 M N -0.795 118.805 119.600 -0.001 0.000 2.224 73 M HA -0.081 4.399 4.480 -0.000 0.000 0.253 73 M C 2.219 178.511 176.300 -0.014 0.000 1.115 73 M CA 0.914 56.210 55.300 -0.006 0.000 1.168 73 M CB -0.725 31.874 32.600 -0.001 0.000 1.288 73 M HN 0.039 nan 8.290 nan 0.000 0.446 74 V N 1.117 121.027 119.914 -0.007 0.000 2.370 74 V HA -0.338 3.782 4.120 -0.000 0.000 0.252 74 V C 2.191 178.274 176.094 -0.018 0.000 1.068 74 V CA 2.541 64.836 62.300 -0.008 0.000 1.061 74 V CB -0.704 31.120 31.823 0.001 0.000 0.656 74 V HN 0.556 nan 8.190 nan 0.000 0.455 75 K N -0.705 119.685 120.400 -0.017 0.000 2.097 75 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 75 K C 2.324 178.902 176.600 -0.038 0.000 1.049 75 K CA 1.839 58.113 56.287 -0.022 0.000 0.933 75 K CB -0.293 32.198 32.500 -0.016 0.000 0.717 75 K HN 0.585 nan 8.250 nan 0.000 0.442 76 E N 0.410 120.586 120.200 -0.041 0.000 2.208 76 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 76 E C 1.866 178.407 176.600 -0.099 0.000 0.988 76 E CA 0.601 56.967 56.400 -0.057 0.000 0.828 76 E CB 0.148 29.822 29.700 -0.044 0.000 0.763 76 E HN 0.188 nan 8.360 nan 0.000 0.478 77 V N 0.506 120.358 119.914 -0.104 0.000 2.379 77 V HA -0.095 4.025 4.120 -0.000 0.000 0.243 77 V C 2.289 178.240 176.094 -0.239 0.000 1.035 77 V CA 1.609 63.797 62.300 -0.187 0.000 1.035 77 V CB -0.279 31.477 31.823 -0.111 0.000 0.673 77 V HN 0.286 nan 8.190 nan 0.000 0.457 78 A N 0.560 123.314 122.820 -0.111 0.000 1.917 78 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 78 A C 2.519 180.046 177.584 -0.095 0.000 1.182 78 A CA 2.713 54.711 52.037 -0.065 0.000 0.633 78 A CB -1.168 17.819 19.000 -0.022 0.000 0.819 78 A HN 0.908 nan 8.150 nan 0.000 0.448 79 S N -0.224 115.414 115.700 -0.102 0.000 2.462 79 S HA -0.227 4.243 4.470 -0.000 0.000 0.243 79 S C 1.682 176.209 174.600 -0.122 0.000 1.003 79 S CA 1.721 59.868 58.200 -0.089 0.000 0.970 79 S CB -0.413 62.742 63.200 -0.076 0.000 0.762 79 S HN 0.660 nan 8.310 nan 0.000 0.510 80 K N 1.100 121.352 120.400 -0.247 0.000 2.167 80 K HA 0.222 4.542 4.320 -0.000 0.000 0.203 80 K C 2.594 179.135 176.600 -0.098 0.000 1.052 80 K CA 0.850 56.942 56.287 -0.325 0.000 0.956 80 K CB -0.468 31.520 32.500 -0.854 0.000 0.735 80 K HN 0.473 nan 8.250 nan 0.000 0.451 81 A N 1.923 124.743 122.820 0.001 0.000 1.865 81 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 81 A C 1.928 179.574 177.584 0.104 0.000 1.191 81 A CA 2.116 54.286 52.037 0.221 0.000 0.623 81 A CB -0.831 18.288 19.000 0.198 0.000 0.826 81 A HN 0.306 nan 8.150 nan 0.000 0.444 82 N N 0.010 118.729 118.700 0.033 0.000 2.104 82 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 82 N C 1.237 176.750 175.510 0.005 0.000 1.024 82 N CA 1.733 54.783 53.050 0.001 0.000 0.853 82 N CB -0.215 38.256 38.487 -0.027 0.000 1.008 82 N HN 0.438 nan 8.380 nan 0.000 0.424 83 D N -0.546 119.861 120.400 0.012 0.000 2.178 83 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 83 D C 1.570 177.906 176.300 0.060 0.000 0.980 83 D CA 1.162 55.175 54.000 0.021 0.000 0.842 83 D CB -0.166 40.633 40.800 -0.001 0.000 0.948 83 D HN 0.433 nan 8.370 nan 0.000 0.472 84 A N 0.937 123.813 122.820 0.092 0.000 1.859 84 A HA 0.303 4.623 4.320 -0.000 0.000 0.212 84 A C 2.137 179.778 177.584 0.095 0.000 1.238 84 A CA 1.375 53.474 52.037 0.104 0.000 0.613 84 A CB -0.758 18.328 19.000 0.144 0.000 0.904 84 A HN 0.200 nan 8.150 nan 0.000 0.457 85 A N -1.717 121.156 122.820 0.089 0.000 1.861 85 A HA 0.399 4.719 4.320 -0.000 0.000 0.214 85 A C 1.833 179.475 177.584 0.096 0.000 1.322 85 A CA 2.195 54.280 52.037 0.081 0.000 0.601 85 A CB -0.884 18.152 19.000 0.060 0.000 0.966 85 A HN 1.655 nan 8.150 nan 0.000 0.471 86 G N -2.286 106.534 108.800 0.033 0.000 4.362 86 G HA2 0.324 4.284 3.960 -0.000 0.000 0.220 86 G HA3 0.324 4.284 3.960 -0.000 0.000 0.220 86 G C -0.387 174.471 174.900 -0.070 0.000 0.795 86 G CA 0.749 45.813 45.100 -0.061 0.000 0.920 86 G HN 0.790 nan 8.290 nan 0.000 0.715 87 D N -2.782 117.607 120.400 -0.017 0.000 2.851 87 D HA 0.519 5.159 4.640 -0.000 0.000 0.339 87 D C 1.178 177.486 176.300 0.012 0.000 1.347 87 D CA 1.078 55.071 54.000 -0.012 0.000 0.888 87 D CB 0.306 41.102 40.800 -0.007 0.000 1.431 87 D HN 1.188 nan 8.370 nan 0.000 0.509 88 G N -1.027 107.780 108.800 0.013 0.000 2.308 88 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.221 88 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.221 88 G C 1.375 176.291 174.900 0.027 0.000 1.032 88 G CA 1.169 46.284 45.100 0.026 0.000 0.623 88 G HN 1.249 nan 8.290 nan 0.000 0.506 89 T N -0.675 113.890 114.554 0.019 0.000 2.649 89 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 89 T C 2.230 176.934 174.700 0.007 0.000 1.036 89 T CA 3.151 65.257 62.100 0.010 0.000 1.157 89 T CB -1.187 67.677 68.868 -0.007 0.000 0.861 89 T HN 0.653 nan 8.240 nan 0.000 0.445 90 T N 1.502 116.058 114.554 0.003 0.000 2.788 90 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 90 T C 2.232 176.936 174.700 0.006 0.000 1.044 90 T CA 1.803 63.904 62.100 0.002 0.000 1.139 90 T CB -0.833 68.034 68.868 -0.001 0.000 0.867 90 T HN 0.652 nan 8.240 nan 0.000 0.454 91 T N 2.114 116.675 114.554 0.011 0.000 2.732 91 T HA 0.093 4.443 4.350 -0.000 0.000 0.261 91 T C 2.507 177.219 174.700 0.021 0.000 1.040 91 T CA 0.926 63.035 62.100 0.014 0.000 1.145 91 T CB -0.735 68.143 68.868 0.016 0.000 0.866 91 T HN 0.403 nan 8.240 nan 0.000 0.427 92 A N 2.015 124.855 122.820 0.033 0.000 1.869 92 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 92 A C 2.564 180.167 177.584 0.031 0.000 1.203 92 A CA 2.626 54.691 52.037 0.047 0.000 0.638 92 A CB -1.695 17.346 19.000 0.068 0.000 0.831 92 A HN 0.488 nan 8.150 nan 0.000 0.450 93 T N -0.806 113.760 114.554 0.019 0.000 2.653 93 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 93 T C 1.838 176.544 174.700 0.009 0.000 1.035 93 T CA 1.839 63.946 62.100 0.011 0.000 1.154 93 T CB -0.720 68.150 68.868 0.003 0.000 0.862 93 T HN 0.417 nan 8.240 nan 0.000 0.441 94 V N 0.606 120.524 119.914 0.008 0.000 2.667 94 V HA 0.006 4.126 4.120 -0.000 0.000 0.252 94 V C 2.077 178.175 176.094 0.006 0.000 1.065 94 V CA 1.255 63.557 62.300 0.005 0.000 1.083 94 V CB -0.508 31.316 31.823 0.001 0.000 0.692 94 V HN 0.477 nan 8.190 nan 0.000 0.468 95 L N 0.084 121.314 121.223 0.012 0.000 2.007 95 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 95 L C 2.891 179.769 176.870 0.014 0.000 1.073 95 L CA 1.598 56.446 54.840 0.013 0.000 0.744 95 L CB -0.967 41.104 42.059 0.020 0.000 0.898 95 L HN 0.401 nan 8.230 nan 0.000 0.435 96 A N -0.489 122.343 122.820 0.019 0.000 1.869 96 A HA -0.364 3.956 4.320 -0.000 0.000 0.218 96 A C 2.220 179.811 177.584 0.012 0.000 1.203 96 A CA 2.319 54.368 52.037 0.019 0.000 0.638 96 A CB -0.965 18.047 19.000 0.021 0.000 0.831 96 A HN 0.525 nan 8.150 nan 0.000 0.450 97 Q N -0.771 119.034 119.800 0.009 0.000 2.082 97 Q HA -0.299 4.041 4.340 -0.000 0.000 0.211 97 Q C 2.308 178.311 176.000 0.005 0.000 1.002 97 Q CA 2.436 58.242 55.803 0.006 0.000 0.868 97 Q CB -0.432 28.308 28.738 0.003 0.000 0.931 97 Q HN 0.656 nan 8.270 nan 0.000 0.414 98 A N 0.609 123.431 122.820 0.004 0.000 1.892 98 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 98 A C 2.002 179.588 177.584 0.004 0.000 1.188 98 A CA 1.807 53.846 52.037 0.003 0.000 0.631 98 A CB -0.765 18.236 19.000 0.002 0.000 0.822 98 A HN 0.491 nan 8.150 nan 0.000 0.447 99 I N -0.348 120.226 120.570 0.006 0.000 2.133 99 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 99 I C 2.337 178.457 176.117 0.005 0.000 1.074 99 I CA 1.444 62.748 61.300 0.006 0.000 1.342 99 I CB -0.543 37.463 38.000 0.009 0.000 1.053 99 I HN 0.272 nan 8.210 nan 0.000 0.404 100 I N 0.852 121.425 120.570 0.006 0.000 2.194 100 I HA -0.305 3.865 4.170 -0.000 0.000 0.246 100 I C 2.598 178.717 176.117 0.003 0.000 1.093 100 I CA 1.809 63.111 61.300 0.004 0.000 1.355 100 I CB -0.930 37.073 38.000 0.005 0.000 1.046 100 I HN 0.318 nan 8.210 nan 0.000 0.413 101 T N -0.040 114.516 114.554 0.003 0.000 2.720 101 T HA -0.157 4.192 4.350 -0.000 0.000 0.268 101 T C 1.791 176.492 174.700 0.002 0.000 1.037 101 T CA 1.250 63.351 62.100 0.002 0.000 1.144 101 T CB -0.145 68.724 68.868 0.002 0.000 0.864 101 T HN 0.308 nan 8.240 nan 0.000 0.444 102 E N 0.340 120.541 120.200 0.002 0.000 2.250 102 E HA 0.130 4.480 4.350 -0.000 0.000 0.192 102 E C 2.437 179.038 176.600 0.001 0.000 0.986 102 E CA 0.479 56.880 56.400 0.001 0.000 0.849 102 E CB -0.485 29.216 29.700 0.001 0.000 0.797 102 E HN 0.533 nan 8.360 nan 0.000 0.482 103 G N 1.781 110.582 108.800 0.002 0.000 2.484 103 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 103 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 103 G C 1.648 176.548 174.900 0.001 0.000 1.219 103 G CA 0.514 45.614 45.100 0.002 0.000 0.791 103 G HN 0.183 nan 8.290 nan 0.000 0.550 104 L N 0.296 121.519 121.223 0.000 0.000 2.187 104 L HA -0.078 4.262 4.340 -0.000 0.000 0.213 104 L C 2.747 179.617 176.870 0.000 0.000 1.100 104 L CA 1.328 56.168 54.840 -0.000 0.000 0.765 104 L CB -0.379 41.679 42.059 -0.001 0.000 0.904 104 L HN 0.243 nan 8.230 nan 0.000 0.437 105 K N 0.206 120.607 120.400 0.001 0.000 2.283 105 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 105 K C 2.050 178.651 176.600 0.001 0.000 1.048 105 K CA 0.961 57.249 56.287 0.001 0.000 0.948 105 K CB 0.103 32.604 32.500 0.001 0.000 0.742 105 K HN 0.311 nan 8.250 nan 0.000 0.458 106 A N 0.089 122.909 122.820 0.001 0.000 1.862 106 A HA -0.009 4.311 4.320 -0.000 0.000 0.211 106 A C 2.088 179.672 177.584 -0.000 0.000 1.220 106 A CA 0.686 52.723 52.037 0.000 0.000 0.616 106 A CB -0.601 18.399 19.000 0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.545 120.459 119.914 -0.000 0.000 2.233 107 V HA -0.357 3.763 4.120 -0.000 0.000 0.252 107 V C 2.945 179.038 176.094 -0.001 0.000 1.063 107 V CA 2.347 64.646 62.300 -0.001 0.000 1.032 107 V CB -1.289 30.534 31.823 -0.002 0.000 0.645 107 V HN 0.603 nan 8.190 nan 0.000 0.446 108 A N -0.722 122.098 122.820 0.000 0.000 2.259 108 A HA 0.126 4.446 4.320 -0.000 0.000 0.212 108 A C 2.100 179.685 177.584 0.002 0.000 1.178 108 A CA 1.541 53.579 52.037 0.002 0.000 0.734 108 A CB -0.515 18.486 19.000 0.002 0.000 0.774 108 A HN 0.653 nan 8.150 nan 0.000 0.481 109 A N -2.179 120.642 122.820 0.001 0.000 2.195 109 A HA 0.458 4.778 4.320 -0.000 0.000 0.210 109 A C 1.574 179.158 177.584 0.000 0.000 1.165 109 A CA 1.146 53.184 52.037 0.001 0.000 0.806 109 A CB -0.246 18.754 19.000 0.001 0.000 0.847 109 A HN 1.658 nan 8.150 nan 0.000 0.482 110 G N -1.840 106.960 108.800 -0.000 0.000 2.198 110 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.156 110 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.156 110 G C 0.040 174.939 174.900 -0.002 0.000 1.012 110 G CA 0.010 45.109 45.100 -0.001 0.000 0.692 110 G HN 0.271 nan 8.290 nan 0.000 0.492 111 M N 0.781 120.379 119.600 -0.002 0.000 2.444 111 M HA 0.384 4.864 4.480 -0.000 0.000 0.319 111 M C 0.484 176.782 176.300 -0.003 0.000 1.183 111 M CA -0.828 54.470 55.300 -0.002 0.000 1.032 111 M CB 0.900 33.499 32.600 -0.002 0.000 1.569 111 M HN 0.140 nan 8.290 nan 0.000 0.468 112 N N 1.759 120.456 118.700 -0.004 0.000 2.475 112 N HA 0.119 4.859 4.740 -0.000 0.000 0.267 112 N C -2.274 173.233 175.510 -0.004 0.000 1.169 112 N CA -1.242 51.805 53.050 -0.005 0.000 0.947 112 N CB 1.307 39.791 38.487 -0.005 0.000 1.061 112 N HN 0.253 nan 8.380 nan 0.000 0.466 113 P HA -0.047 nan 4.420 nan 0.000 0.214 113 P C 1.739 179.036 177.300 -0.004 0.000 1.162 113 P CA 1.138 64.235 63.100 -0.004 0.000 0.879 113 P CB 0.182 31.878 31.700 -0.006 0.000 0.786 114 M N -0.531 119.066 119.600 -0.005 0.000 2.260 114 M HA -0.157 4.322 4.480 -0.000 0.000 0.261 114 M C 1.151 177.449 176.300 -0.003 0.000 1.066 114 M CA 1.649 56.946 55.300 -0.004 0.000 1.082 114 M CB -1.471 31.126 32.600 -0.006 0.000 1.388 114 M HN 0.003 nan 8.290 nan 0.000 0.419 115 D N -0.122 120.276 120.400 -0.003 0.000 2.144 115 D HA 0.027 4.667 4.640 -0.000 0.000 0.207 115 D C 2.232 178.531 176.300 -0.001 0.000 0.970 115 D CA 0.707 54.706 54.000 -0.002 0.000 0.853 115 D CB -0.217 40.581 40.800 -0.003 0.000 1.007 115 D HN 0.294 nan 8.370 nan 0.000 0.469 116 L N 1.045 122.268 121.223 -0.001 0.000 2.137 116 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 116 L C 2.469 179.339 176.870 0.001 0.000 1.085 116 L CA 1.255 56.095 54.840 -0.000 0.000 0.760 116 L CB -0.387 41.672 42.059 -0.000 0.000 0.893 116 L HN 0.049 nan 8.230 nan 0.000 0.434 117 K N 0.305 120.706 120.400 0.001 0.000 2.097 117 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 117 K C 2.307 178.909 176.600 0.002 0.000 1.050 117 K CA 1.146 57.434 56.287 0.002 0.000 0.938 117 K CB 0.054 32.555 32.500 0.002 0.000 0.718 117 K HN 0.122 nan 8.250 nan 0.000 0.442 118 R N -0.183 120.317 120.500 0.000 0.000 2.062 118 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 118 R C 2.375 178.675 176.300 -0.000 0.000 1.136 118 R CA 1.618 57.718 56.100 -0.000 0.000 0.948 118 R CB -0.679 29.621 30.300 -0.001 0.000 0.845 118 R HN 0.387 nan 8.270 nan 0.000 0.430 119 G N 1.153 109.952 108.800 -0.000 0.000 2.505 119 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 119 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 119 G C 1.440 176.340 174.900 0.000 0.000 1.145 119 G CA 1.271 46.371 45.100 -0.000 0.000 0.761 119 G HN 0.295 nan 8.290 nan 0.000 0.571 120 I N 0.631 121.201 120.570 0.001 0.000 2.142 120 I HA -0.128 4.042 4.170 -0.000 0.000 0.240 120 I C 2.248 178.365 176.117 0.001 0.000 1.078 120 I CA 1.338 62.639 61.300 0.002 0.000 1.343 120 I CB -0.192 37.810 38.000 0.004 0.000 1.046 120 I HN 0.087 nan 8.210 nan 0.000 0.405 121 D N 0.528 120.928 120.400 0.000 0.000 2.263 121 D HA -0.184 4.456 4.640 -0.000 0.000 0.208 121 D C 2.010 178.308 176.300 -0.004 0.000 0.971 121 D CA 1.001 55.001 54.000 -0.002 0.000 0.867 121 D CB -0.012 40.788 40.800 -0.000 0.000 0.929 121 D HN 0.343 nan 8.370 nan 0.000 0.492 122 K N 0.795 121.193 120.400 -0.003 0.000 2.005 122 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 122 K C 2.120 178.718 176.600 -0.003 0.000 1.044 122 K CA 0.903 57.188 56.287 -0.003 0.000 0.942 122 K CB -0.005 32.494 32.500 -0.002 0.000 0.727 122 K HN -0.069 nan 8.250 nan 0.000 0.439 123 A N 0.862 123.681 122.820 -0.002 0.000 1.997 123 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 123 A C 2.189 179.772 177.584 -0.003 0.000 1.172 123 A CA 1.912 53.948 52.037 -0.002 0.000 0.645 123 A CB -0.706 18.294 19.000 -0.000 0.000 0.813 123 A HN 0.213 nan 8.150 nan 0.000 0.454 124 V N -0.773 119.138 119.914 -0.005 0.000 2.273 124 V HA -0.181 3.939 4.120 -0.000 0.000 0.242 124 V C 2.667 178.753 176.094 -0.012 0.000 1.035 124 V CA 2.317 64.612 62.300 -0.009 0.000 1.013 124 V CB -1.273 30.543 31.823 -0.011 0.000 0.652 124 V HN 0.602 nan 8.190 nan 0.000 0.452 125 T N 0.666 115.212 114.554 -0.012 0.000 2.792 125 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 125 T C 1.840 176.534 174.700 -0.010 0.000 1.059 125 T CA 1.705 63.797 62.100 -0.014 0.000 1.136 125 T CB -0.410 68.451 68.868 -0.011 0.000 0.846 125 T HN 0.570 nan 8.240 nan 0.000 0.489 126 A N 1.385 124.201 122.820 -0.007 0.000 1.843 126 A HA 0.434 4.754 4.320 -0.000 0.000 0.213 126 A C 2.702 180.284 177.584 -0.004 0.000 1.202 126 A CA 1.264 53.298 52.037 -0.005 0.000 0.607 126 A CB -1.231 17.768 19.000 -0.003 0.000 0.847 126 A HN 0.482 nan 8.150 nan 0.000 0.445 127 A N -0.360 122.458 122.820 -0.004 0.000 2.024 127 A HA -0.016 4.303 4.320 -0.000 0.000 0.220 127 A C 2.098 179.678 177.584 -0.006 0.000 1.164 127 A CA 1.799 53.834 52.037 -0.003 0.000 0.643 127 A CB -0.878 18.121 19.000 -0.002 0.000 0.806 127 A HN 0.426 nan 8.150 nan 0.000 0.451 128 V N -0.316 119.591 119.914 -0.011 0.000 2.515 128 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 128 V C 2.278 178.365 176.094 -0.011 0.000 1.058 128 V CA 2.232 64.523 62.300 -0.016 0.000 1.064 128 V CB -0.702 31.107 31.823 -0.025 0.000 0.675 128 V HN 0.657 nan 8.190 nan 0.000 0.461 129 E N -0.227 119.968 120.200 -0.008 0.000 2.075 129 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 129 E C 2.176 178.775 176.600 -0.001 0.000 0.969 129 E CA 0.602 56.999 56.400 -0.005 0.000 0.815 129 E CB -0.100 29.597 29.700 -0.004 0.000 0.776 129 E HN 0.429 nan 8.360 nan 0.000 0.457 130 E N 0.930 121.130 120.200 0.000 0.000 2.273 130 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 130 E C 1.689 178.292 176.600 0.005 0.000 1.002 130 E CA 0.566 56.968 56.400 0.004 0.000 0.828 130 E CB -0.028 29.675 29.700 0.005 0.000 0.747 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.154 121.378 121.223 0.003 0.000 2.162 131 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 131 L C 1.660 178.532 176.870 0.004 0.000 1.086 131 L CA 1.254 56.096 54.840 0.004 0.000 0.778 131 L CB -0.002 42.057 42.059 -0.000 0.000 0.928 131 L HN -0.082 nan 8.230 nan 0.000 0.446 132 K N -0.371 120.029 120.400 0.001 0.000 2.574 132 K HA -0.027 4.293 4.320 -0.000 0.000 0.193 132 K C 1.767 178.370 176.600 0.004 0.000 1.035 132 K CA 0.573 56.860 56.287 0.001 0.000 0.982 132 K CB -0.064 32.435 32.500 -0.001 0.000 0.795 132 K HN 0.438 nan 8.250 nan 0.000 0.491 133 A N 1.524 124.348 122.820 0.006 0.000 1.831 133 A HA -0.080 4.240 4.320 -0.000 0.000 0.213 133 A C 1.982 179.573 177.584 0.010 0.000 1.223 133 A CA 0.725 52.767 52.037 0.008 0.000 0.604 133 A CB -0.527 18.478 19.000 0.009 0.000 0.878 133 A HN 0.110 nan 8.150 nan 0.000 0.450 134 L N 0.511 121.741 121.223 0.013 0.000 2.081 134 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 134 L C 1.565 178.444 176.870 0.015 0.000 1.080 134 L CA 1.260 56.110 54.840 0.017 0.000 0.754 134 L CB -1.291 40.780 42.059 0.020 0.000 0.893 134 L HN 0.438 nan 8.230 nan 0.000 0.433 135 S N 0.361 116.068 115.700 0.012 0.000 2.885 135 S HA -0.000 4.470 4.470 -0.000 0.000 0.334 135 S C -0.091 174.516 174.600 0.011 0.000 1.224 135 S CA -0.282 57.925 58.200 0.010 0.000 1.080 135 S CB -0.027 63.178 63.200 0.007 0.000 0.801 135 S HN 0.076 nan 8.310 nan 0.000 0.510 136 V N 9.789 129.710 119.914 0.012 0.000 2.294 136 V HA 0.303 4.423 4.120 -0.000 0.000 0.272 136 V C -1.660 174.440 176.094 0.010 0.000 1.027 136 V CA -1.703 60.604 62.300 0.011 0.000 0.823 136 V CB 0.641 32.473 31.823 0.014 0.000 1.030 136 V HN 0.783 nan 8.190 nan 0.000 0.457 137 P HA -0.145 nan 4.420 nan 0.000 0.277 137 P C -0.107 177.197 177.300 0.007 0.000 1.237 137 P CA 0.217 63.321 63.100 0.007 0.000 0.819 137 P CB 0.306 32.009 31.700 0.006 0.000 0.841 138 C N 0.858 120.162 119.300 0.006 0.000 3.079 138 C HA 0.300 4.760 4.460 -0.000 0.000 0.246 138 C C 1.190 176.182 174.990 0.004 0.000 1.025 138 C CA 0.029 59.050 59.018 0.005 0.000 1.081 138 C CB -1.353 26.390 27.740 0.007 0.000 1.757 138 C HN 0.555 nan 8.230 nan 0.000 0.646 139 S N 0.591 116.293 115.700 0.003 0.000 2.527 139 S HA 0.084 4.554 4.470 -0.000 0.000 0.227 139 S C 0.366 174.966 174.600 0.001 0.000 1.059 139 S CA 0.179 58.380 58.200 0.001 0.000 0.919 139 S CB 0.044 63.245 63.200 0.001 0.000 0.805 139 S HN 0.920 nan 8.310 nan 0.000 0.500 140 D N 2.315 122.715 120.400 0.002 0.000 2.348 140 D HA 0.085 4.725 4.640 -0.000 0.000 0.253 140 D C 0.659 176.959 176.300 0.001 0.000 1.161 140 D CA -0.008 53.992 54.000 0.001 0.000 0.876 140 D CB 1.138 41.939 40.800 0.002 0.000 1.160 140 D HN 0.158 nan 8.370 nan 0.000 0.459 141 S N 1.670 117.371 115.700 0.000 0.000 2.559 141 S HA -0.240 4.230 4.470 -0.000 0.000 0.250 141 S C 1.341 175.941 174.600 0.001 0.000 0.977 141 S CA 0.691 58.891 58.200 -0.000 0.000 0.958 141 S CB -0.302 62.898 63.200 -0.001 0.000 0.751 141 S HN 0.658 nan 8.310 nan 0.000 0.534 142 K N 1.320 121.721 120.400 0.002 0.000 2.141 142 K HA 0.260 4.580 4.320 -0.000 0.000 0.202 142 K C 2.238 178.839 176.600 0.003 0.000 1.045 142 K CA 0.734 57.022 56.287 0.002 0.000 0.971 142 K CB -0.428 32.073 32.500 0.002 0.000 0.795 142 K HN 0.351 nan 8.250 nan 0.000 0.459 143 A N 1.363 124.185 122.820 0.004 0.000 2.014 143 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 143 A C 1.982 179.569 177.584 0.005 0.000 1.163 143 A CA 0.766 52.806 52.037 0.005 0.000 0.652 143 A CB -0.439 18.564 19.000 0.006 0.000 0.808 143 A HN 0.322 nan 8.150 nan 0.000 0.449 144 I N -0.302 120.270 120.570 0.004 0.000 2.226 144 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 144 I C 2.975 179.095 176.117 0.004 0.000 1.100 144 I CA 1.002 62.304 61.300 0.003 0.000 1.374 144 I CB -0.302 37.699 38.000 0.001 0.000 1.057 144 I HN 0.387 nan 8.210 nan 0.000 0.413 145 A N 0.370 123.192 122.820 0.003 0.000 1.865 145 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 145 A C 2.205 179.793 177.584 0.005 0.000 1.191 145 A CA 1.706 53.745 52.037 0.003 0.000 0.623 145 A CB -0.753 18.249 19.000 0.003 0.000 0.826 145 A HN 0.475 nan 8.150 nan 0.000 0.444 146 Q N -0.560 119.244 119.800 0.005 0.000 2.152 146 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 146 Q C 2.127 178.132 176.000 0.008 0.000 0.985 146 Q CA 1.672 57.479 55.803 0.006 0.000 0.863 146 Q CB -0.466 28.276 28.738 0.007 0.000 0.904 146 Q HN 0.517 nan 8.270 nan 0.000 0.422 147 V N 0.287 120.207 119.914 0.009 0.000 2.229 147 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 147 V C 2.284 178.386 176.094 0.012 0.000 1.042 147 V CA 2.060 64.366 62.300 0.011 0.000 1.000 147 V CB -1.237 30.593 31.823 0.012 0.000 0.637 147 V HN 0.548 nan 8.190 nan 0.000 0.446 148 G N -0.711 108.096 108.800 0.011 0.000 2.475 148 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 148 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 148 G C 1.654 176.561 174.900 0.011 0.000 1.125 148 G CA 1.727 46.835 45.100 0.012 0.000 0.755 148 G HN 0.480 nan 8.290 nan 0.000 0.565 149 T N 1.027 115.586 114.554 0.009 0.000 2.821 149 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 149 T C 2.294 176.998 174.700 0.008 0.000 1.046 149 T CA 0.851 62.956 62.100 0.007 0.000 1.139 149 T CB -0.096 68.776 68.868 0.006 0.000 0.871 149 T HN 0.324 nan 8.240 nan 0.000 0.454 150 I N 0.656 121.231 120.570 0.009 0.000 2.876 150 I HA 0.005 4.175 4.170 -0.000 0.000 0.264 150 I C 2.135 178.258 176.117 0.010 0.000 1.204 150 I CA 0.528 61.833 61.300 0.008 0.000 1.485 150 I CB -0.082 37.923 38.000 0.009 0.000 1.103 150 I HN 0.108 nan 8.210 nan 0.000 0.446 151 S N 0.848 116.556 115.700 0.013 0.000 2.527 151 S HA 0.146 4.616 4.470 -0.000 0.000 0.222 151 S C 1.683 176.292 174.600 0.015 0.000 0.985 151 S CA 0.733 58.942 58.200 0.016 0.000 0.921 151 S CB 0.142 63.357 63.200 0.024 0.000 0.772 151 S HN 0.480 nan 8.310 nan 0.000 0.529 152 A N 1.350 124.177 122.820 0.012 0.000 2.500 152 A HA 0.444 4.764 4.320 -0.000 0.000 0.267 152 A C 0.559 178.147 177.584 0.007 0.000 1.290 152 A CA -0.372 51.671 52.037 0.011 0.000 0.928 152 A CB -0.418 18.588 19.000 0.010 0.000 1.066 152 A HN 0.368 nan 8.150 nan 0.000 0.516 153 N N -0.235 118.469 118.700 0.006 0.000 2.746 153 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 153 N C 0.213 175.724 175.510 0.003 0.000 1.055 153 N CA 1.038 54.091 53.050 0.004 0.000 0.699 153 N CB -1.855 36.634 38.487 0.003 0.000 0.919 153 N HN 0.513 nan 8.380 nan 0.000 0.548 154 S N -1.541 114.161 115.700 0.003 0.000 3.490 154 S HA -0.234 4.236 4.470 -0.000 0.000 0.301 154 S C -0.346 174.255 174.600 0.003 0.000 1.233 154 S CA 0.839 59.041 58.200 0.003 0.000 0.914 154 S CB -1.029 62.171 63.200 0.001 0.000 1.047 154 S HN 0.770 nan 8.310 nan 0.000 0.602 155 D N 1.389 121.792 120.400 0.004 0.000 2.441 155 D HA 0.214 4.854 4.640 -0.000 0.000 0.221 155 D C 1.134 177.436 176.300 0.004 0.000 1.156 155 D CA -0.252 53.751 54.000 0.004 0.000 0.896 155 D CB 0.484 41.287 40.800 0.004 0.000 1.028 155 D HN 0.480 nan 8.370 nan 0.000 0.509 156 E N 1.345 121.546 120.200 0.003 0.000 2.130 156 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 156 E C 1.523 178.124 176.600 0.003 0.000 0.998 156 E CA 1.274 57.676 56.400 0.003 0.000 0.806 156 E CB 0.144 29.845 29.700 0.002 0.000 0.738 156 E HN 0.496 nan 8.360 nan 0.000 0.459 157 T N 1.042 115.597 114.554 0.002 0.000 2.699 157 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 157 T C 2.100 176.802 174.700 0.003 0.000 1.036 157 T CA 1.440 63.542 62.100 0.002 0.000 1.147 157 T CB -0.317 68.553 68.868 0.002 0.000 0.862 157 T HN -0.000 nan 8.240 nan 0.000 0.446 158 V N 1.501 121.417 119.914 0.004 0.000 2.216 158 V HA -0.104 4.016 4.120 -0.000 0.000 0.243 158 V C 2.926 179.022 176.094 0.004 0.000 1.044 158 V CA 2.020 64.322 62.300 0.005 0.000 0.995 158 V CB -1.636 30.191 31.823 0.007 0.000 0.633 158 V HN 0.575 nan 8.190 nan 0.000 0.446 159 G N 0.006 108.809 108.800 0.005 0.000 2.663 159 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.222 159 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.222 159 G C 1.632 176.533 174.900 0.002 0.000 1.146 159 G CA 1.820 46.923 45.100 0.004 0.000 0.764 159 G HN 0.543 nan 8.290 nan 0.000 0.608 160 K N 0.073 120.474 120.400 0.002 0.000 1.985 160 K HA 0.015 4.335 4.320 -0.000 0.000 0.210 160 K C 2.642 179.241 176.600 -0.001 0.000 1.047 160 K CA 1.213 57.500 56.287 0.000 0.000 0.932 160 K CB -0.384 32.117 32.500 0.000 0.000 0.716 160 K HN 0.352 nan 8.250 nan 0.000 0.439 161 L N 1.132 122.354 121.223 -0.001 0.000 2.034 161 L HA -0.292 4.048 4.340 -0.000 0.000 0.217 161 L C 2.505 179.373 176.870 -0.004 0.000 1.077 161 L CA 1.642 56.480 54.840 -0.002 0.000 0.769 161 L CB -0.419 41.640 42.059 -0.001 0.000 0.890 161 L HN 0.332 nan 8.230 nan 0.000 0.435 162 I N -0.780 119.788 120.570 -0.003 0.000 2.090 162 I HA -0.336 3.834 4.170 -0.000 0.000 0.236 162 I C 2.812 178.925 176.117 -0.007 0.000 1.064 162 I CA 1.301 62.597 61.300 -0.006 0.000 1.324 162 I CB -0.666 37.332 38.000 -0.003 0.000 1.044 162 I HN 0.256 nan 8.210 nan 0.000 0.399 163 A N 0.590 123.408 122.820 -0.004 0.000 1.915 163 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 163 A C 2.182 179.763 177.584 -0.005 0.000 1.198 163 A CA 2.303 54.338 52.037 -0.004 0.000 0.647 163 A CB -0.891 18.108 19.000 -0.002 0.000 0.825 163 A HN 0.548 nan 8.150 nan 0.000 0.456 164 E N -0.644 119.553 120.200 -0.005 0.000 2.153 164 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 164 E C 2.311 178.907 176.600 -0.007 0.000 0.988 164 E CA 0.840 57.237 56.400 -0.005 0.000 0.811 164 E CB -0.272 29.425 29.700 -0.004 0.000 0.746 164 E HN 0.676 nan 8.360 nan 0.000 0.466 165 A N 1.294 124.109 122.820 -0.009 0.000 1.854 165 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 165 A C 2.179 179.755 177.584 -0.013 0.000 1.192 165 A CA 1.121 53.151 52.037 -0.011 0.000 0.611 165 A CB -0.411 18.581 19.000 -0.014 0.000 0.832 165 A HN 0.103 nan 8.150 nan 0.000 0.442 166 M N -0.813 118.780 119.600 -0.013 0.000 2.213 166 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 166 M C 1.375 177.669 176.300 -0.010 0.000 1.062 166 M CA 1.750 57.042 55.300 -0.013 0.000 1.105 166 M CB -0.597 31.996 32.600 -0.012 0.000 1.385 166 M HN 0.366 nan 8.290 nan 0.000 0.417 167 D N 0.281 120.676 120.400 -0.008 0.000 2.378 167 D HA -0.059 4.581 4.640 -0.000 0.000 0.227 167 D C 1.796 178.092 176.300 -0.007 0.000 1.012 167 D CA 0.748 54.744 54.000 -0.007 0.000 0.905 167 D CB 0.308 41.105 40.800 -0.005 0.000 0.895 167 D HN 0.038 nan 8.370 nan 0.000 0.532 168 K N -0.667 119.728 120.400 -0.008 0.000 2.399 168 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 168 K C 0.867 177.462 176.600 -0.009 0.000 1.103 168 K CA 0.443 56.725 56.287 -0.008 0.000 0.986 168 K CB 1.534 34.028 32.500 -0.009 0.000 0.952 168 K HN 0.152 nan 8.250 nan 0.000 0.541 169 V N -3.027 116.880 119.914 -0.011 0.000 3.261 169 V HA 0.439 4.559 4.120 -0.000 0.000 0.330 169 V C 0.254 176.341 176.094 -0.012 0.000 1.461 169 V CA -0.197 62.096 62.300 -0.011 0.000 1.127 169 V CB 0.094 31.908 31.823 -0.014 0.000 1.044 169 V HN 0.216 nan 8.190 nan 0.000 0.499 170 G N 2.517 111.311 108.800 -0.010 0.000 2.750 170 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G C 0.248 175.140 174.900 -0.012 0.000 1.395 170 G CA -0.008 45.086 45.100 -0.010 0.000 0.918 170 G HN 0.780 nan 8.290 nan 0.000 0.594 171 K N 0.348 120.741 120.400 -0.011 0.000 2.633 171 K HA -0.017 4.303 4.320 -0.000 0.000 0.193 171 K C 0.627 177.218 176.600 -0.015 0.000 1.033 171 K CA 1.352 57.632 56.287 -0.013 0.000 0.980 171 K CB 0.391 32.886 32.500 -0.009 0.000 0.800 171 K HN 0.514 nan 8.250 nan 0.000 0.493 172 E N 1.107 121.298 120.200 -0.014 0.000 2.624 172 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 172 E C 0.429 177.019 176.600 -0.017 0.000 0.997 172 E CA -0.097 56.294 56.400 -0.014 0.000 0.999 172 E CB 1.166 30.860 29.700 -0.009 0.000 1.040 172 E HN 0.414 nan 8.360 nan 0.000 0.469 173 G N 0.406 109.193 108.800 -0.020 0.000 2.568 173 G HA2 0.432 4.392 3.960 -0.000 0.000 0.293 173 G HA3 0.432 4.392 3.960 -0.000 0.000 0.293 173 G C -0.061 174.820 174.900 -0.031 0.000 1.347 173 G CA -0.430 44.657 45.100 -0.022 0.000 1.039 173 G HN -0.034 nan 8.290 nan 0.000 0.523 174 V N 0.036 119.931 119.914 -0.031 0.000 2.509 174 V HA 0.575 4.695 4.120 -0.000 0.000 0.284 174 V C -0.115 175.954 176.094 -0.042 0.000 1.047 174 V CA -0.356 61.919 62.300 -0.041 0.000 0.952 174 V CB 0.912 32.712 31.823 -0.037 0.000 0.988 174 V HN 0.481 nan 8.190 nan 0.000 0.469 175 I N 3.105 123.642 120.570 -0.054 0.000 2.571 175 I HA 0.523 4.693 4.170 -0.000 0.000 0.289 175 I C -0.396 175.689 176.117 -0.052 0.000 1.115 175 I CA -0.155 61.115 61.300 -0.049 0.000 1.045 175 I CB 2.496 40.465 38.000 -0.052 0.000 1.238 175 I HN 0.616 nan 8.210 nan 0.000 0.424 176 T N 4.569 119.101 114.554 -0.038 0.000 2.907 176 T HA 0.593 4.943 4.350 -0.000 0.000 0.292 176 T C -0.501 174.187 174.700 -0.020 0.000 1.043 176 T CA -0.719 61.362 62.100 -0.031 0.000 1.003 176 T CB 2.477 71.327 68.868 -0.030 0.000 1.084 176 T HN 0.380 nan 8.240 nan 0.000 0.483 177 V N 0.136 120.043 119.914 -0.012 0.000 2.378 177 V HA 0.641 4.761 4.120 -0.000 0.000 0.288 177 V C -0.174 175.919 176.094 -0.002 0.000 1.016 177 V CA -0.818 61.479 62.300 -0.004 0.000 0.840 177 V CB 0.998 32.823 31.823 0.004 0.000 0.994 177 V HN 0.865 nan 8.190 nan 0.000 0.431 178 E N 2.541 122.739 120.200 -0.003 0.000 2.961 178 E HA 0.426 4.776 4.350 -0.000 0.000 0.254 178 E C -0.939 175.661 176.600 0.000 0.000 1.192 178 E CA -0.939 55.459 56.400 -0.003 0.000 1.069 178 E CB 0.840 30.536 29.700 -0.006 0.000 1.338 178 E HN 0.762 nan 8.360 nan 0.000 0.596 179 D N -0.097 120.303 120.400 0.000 0.000 2.229 179 D HA 0.278 4.918 4.640 -0.000 0.000 0.249 179 D C -0.133 176.167 176.300 -0.000 0.000 1.027 179 D CA -0.216 53.785 54.000 0.001 0.000 0.923 179 D CB 1.489 42.290 40.800 0.002 0.000 1.174 179 D HN 0.442 nan 8.370 nan 0.000 0.443 180 G N -0.871 107.930 108.800 0.001 0.000 2.539 180 G HA2 0.279 4.239 3.960 -0.000 0.000 0.258 180 G HA3 0.279 4.239 3.960 -0.000 0.000 0.258 180 G C 0.841 175.740 174.900 -0.001 0.000 1.202 180 G CA -0.302 44.798 45.100 -0.000 0.000 0.851 180 G HN 0.450 nan 8.290 nan 0.000 0.556 181 T N -2.748 111.805 114.554 -0.001 0.000 3.069 181 T HA 0.471 4.821 4.350 -0.000 0.000 0.252 181 T C 0.972 175.672 174.700 -0.001 0.000 1.053 181 T CA 0.515 62.614 62.100 -0.001 0.000 0.964 181 T CB 0.337 69.204 68.868 -0.002 0.000 1.005 181 T HN 2.013 nan 8.240 nan 0.000 0.532 182 G N 2.017 110.817 108.800 -0.000 0.000 2.421 182 G HA2 0.302 4.262 3.960 -0.000 0.000 0.360 182 G HA3 0.302 4.262 3.960 -0.000 0.000 0.360 182 G C -0.573 174.327 174.900 -0.000 0.000 1.219 182 G CA -0.620 44.480 45.100 -0.000 0.000 1.257 182 G HN 0.626 nan 8.290 nan 0.000 0.609 183 L N 0.002 121.225 121.223 0.000 0.000 0.611 183 L HA -0.185 4.155 4.340 -0.000 0.000 0.356 183 L C 0.481 177.350 176.870 -0.000 0.000 1.007 183 L CA 2.332 57.172 54.840 0.000 0.000 1.222 183 L CB -0.317 41.743 42.059 0.000 0.000 0.016 183 L HN 1.803 nan 8.230 nan 0.000 0.101 184 Q N 1.539 121.339 119.800 -0.000 0.000 2.667 184 Q HA -0.124 4.216 4.340 -0.000 0.000 0.210 184 Q C -0.613 175.387 176.000 -0.001 0.000 1.417 184 Q CA 1.023 56.826 55.803 -0.000 0.000 0.607 184 Q CB -0.586 28.152 28.738 -0.001 0.000 0.739 184 Q HN 0.596 nan 8.270 nan 0.000 0.315 185 D N 3.349 123.749 120.400 -0.001 0.000 2.455 185 D HA 0.041 4.681 4.640 -0.000 0.000 0.241 185 D C 0.300 176.599 176.300 -0.002 0.000 1.138 185 D CA 0.757 54.756 54.000 -0.001 0.000 0.877 185 D CB 0.718 41.518 40.800 -0.001 0.000 1.187 185 D HN 0.308 nan 8.370 nan 0.000 0.451 186 E N 0.311 120.509 120.200 -0.003 0.000 2.244 186 E HA 0.597 4.947 4.350 -0.000 0.000 0.266 186 E C -0.910 175.688 176.600 -0.005 0.000 0.914 186 E CA -0.991 55.406 56.400 -0.004 0.000 0.794 186 E CB 2.286 31.984 29.700 -0.004 0.000 1.210 186 E HN 0.125 nan 8.360 nan 0.000 0.414 187 L N 2.837 124.057 121.223 -0.005 0.000 2.543 187 L HA 0.415 4.755 4.340 -0.000 0.000 0.265 187 L C -2.170 174.696 176.870 -0.007 0.000 0.945 187 L CA -0.248 54.589 54.840 -0.006 0.000 0.869 187 L CB 1.741 43.797 42.059 -0.006 0.000 1.294 187 L HN 0.611 nan 8.230 nan 0.000 0.405 188 D N 3.466 123.861 120.400 -0.008 0.000 2.622 188 D HA 0.464 5.104 4.640 -0.000 0.000 0.255 188 D C -1.372 174.923 176.300 -0.009 0.000 1.246 188 D CA -0.422 53.573 54.000 -0.008 0.000 0.795 188 D CB 2.090 42.886 40.800 -0.007 0.000 1.369 188 D HN 0.304 nan 8.370 nan 0.000 0.425 189 V N 0.213 120.122 119.914 -0.008 0.000 2.435 189 V HA 0.600 4.720 4.120 -0.000 0.000 0.290 189 V C 0.301 176.390 176.094 -0.008 0.000 1.030 189 V CA -0.689 61.605 62.300 -0.009 0.000 0.881 189 V CB 1.313 33.131 31.823 -0.008 0.000 0.983 189 V HN 0.612 nan 8.190 nan 0.000 0.445 190 V N 1.108 121.017 119.914 -0.009 0.000 2.962 190 V HA 0.656 4.776 4.120 -0.000 0.000 0.313 190 V C -0.323 175.767 176.094 -0.007 0.000 1.099 190 V CA -0.999 61.296 62.300 -0.008 0.000 0.971 190 V CB 2.171 33.988 31.823 -0.010 0.000 1.028 190 V HN 0.717 nan 8.190 nan 0.000 0.430 191 E N 2.456 122.653 120.200 -0.004 0.000 2.341 191 E HA 0.475 4.825 4.350 -0.000 0.000 0.256 191 E C 0.351 176.951 176.600 0.001 0.000 1.125 191 E CA 0.826 57.225 56.400 -0.001 0.000 0.939 191 E CB 0.787 30.488 29.700 0.001 0.000 0.991 191 E HN 1.100 nan 8.360 nan 0.000 0.458 192 G N 1.676 110.478 108.800 0.003 0.000 2.911 192 G HA2 0.746 4.706 3.960 -0.000 0.000 0.299 192 G HA3 0.746 4.706 3.960 -0.000 0.000 0.299 192 G C -0.926 173.984 174.900 0.016 0.000 1.283 192 G CA -0.545 44.558 45.100 0.005 0.000 0.805 192 G HN 0.418 nan 8.290 nan 0.000 0.548 193 M N -0.912 118.697 119.600 0.016 0.000 2.956 193 M HA 0.522 5.002 4.480 -0.000 0.000 0.272 193 M C -2.469 173.831 176.300 0.001 0.000 1.132 193 M CA -0.622 54.701 55.300 0.038 0.000 0.805 193 M CB 2.349 35.008 32.600 0.097 0.000 1.639 193 M HN 0.643 nan 8.290 nan 0.000 0.520 194 Q N 2.690 122.500 119.800 0.016 0.000 2.280 194 Q HA 0.543 4.883 4.340 -0.000 0.000 0.259 194 Q C -2.261 173.736 176.000 -0.004 0.000 0.964 194 Q CA -0.522 55.220 55.803 -0.103 0.000 0.844 194 Q CB 1.845 30.524 28.738 -0.099 0.000 1.334 194 Q HN 0.582 nan 8.270 nan 0.000 0.423 195 F N 0.003 119.945 119.950 -0.013 0.000 2.579 195 F HA 0.546 5.073 4.527 -0.000 0.000 0.324 195 F C 0.123 175.917 175.800 -0.011 0.000 1.058 195 F CA -1.135 56.860 58.000 -0.009 0.000 0.944 195 F CB 0.978 39.976 39.000 -0.003 0.000 1.245 195 F HN 0.290 nan 8.300 nan 0.000 0.477 196 D N 2.444 122.973 120.400 0.216 0.000 2.982 196 D HA 0.082 4.722 4.640 -0.000 0.000 0.238 196 D C -0.156 176.225 176.300 0.134 0.000 1.168 196 D CA 0.366 54.433 54.000 0.112 0.000 0.947 196 D CB -0.061 40.791 40.800 0.087 0.000 1.147 196 D HN 0.243 nan 8.370 nan 0.000 0.450 197 R N -0.043 120.561 120.500 0.173 0.000 2.670 197 R HA 0.596 4.936 4.340 -0.000 0.000 0.289 197 R C 0.372 176.680 176.300 0.015 0.000 0.965 197 R CA -0.715 55.479 56.100 0.158 0.000 0.899 197 R CB 2.175 32.688 30.300 0.356 0.000 1.173 197 R HN 0.095 nan 8.270 nan 0.000 0.456 198 G N 0.867 109.643 108.800 -0.040 0.000 2.667 198 G HA2 0.456 4.415 3.960 -0.000 0.000 0.310 198 G HA3 0.456 4.415 3.960 -0.000 0.000 0.310 198 G C -0.762 174.096 174.900 -0.070 0.000 1.259 198 G CA -0.569 44.420 45.100 -0.184 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.827 119.495 120.300 0.036 0.000 2.652 199 Y HA 0.274 4.824 4.550 -0.000 0.000 0.344 199 Y C 1.354 177.317 175.900 0.106 0.000 1.254 199 Y CA -1.032 57.100 58.100 0.055 0.000 1.480 199 Y CB 0.192 38.722 38.460 0.117 0.000 1.345 199 Y HN 0.214 nan 8.280 nan 0.000 0.617 200 L N 1.252 122.720 121.223 0.408 0.000 2.240 200 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 200 L C 0.520 177.599 176.870 0.349 0.000 1.106 200 L CA 1.174 56.216 54.840 0.337 0.000 0.793 200 L CB -0.456 41.770 42.059 0.279 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.126 112.804 115.700 0.384 0.000 2.537 201 S HA 0.486 4.956 4.470 -0.000 0.000 0.271 201 S C -2.754 171.696 174.600 -0.251 0.000 1.148 201 S CA -1.205 57.041 58.200 0.076 0.000 0.868 201 S CB 2.049 65.274 63.200 0.042 0.000 1.115 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.209 nan 4.420 nan 0.000 0.317 202 P C 0.256 177.244 177.300 -0.520 0.000 1.427 202 P CA 0.554 63.171 63.100 -0.805 0.000 0.820 202 P CB -0.157 31.074 31.700 -0.783 0.000 1.894 203 Y N -4.548 115.578 120.300 -0.291 0.000 2.843 203 Y HA -0.314 4.236 4.550 -0.000 0.000 0.492 203 Y C 1.959 177.737 175.900 -0.204 0.000 1.055 203 Y CA 1.486 59.428 58.100 -0.263 0.000 2.997 203 Y CB -3.174 35.075 38.460 -0.351 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.462 120.422 119.950 0.017 0.000 2.236 204 F HA -0.124 4.403 4.527 -0.000 0.000 0.302 204 F C 1.503 177.303 175.800 0.001 0.000 1.073 204 F CA 0.973 58.981 58.000 0.013 0.000 1.336 204 F CB -0.744 38.259 39.000 0.006 0.000 1.040 204 F HN -0.010 nan 8.300 nan 0.000 0.507 205 I N 2.502 123.143 120.570 0.118 0.000 2.943 205 I HA -0.225 3.945 4.170 -0.000 0.000 0.296 205 I C 0.761 176.925 176.117 0.077 0.000 1.220 205 I CA 0.532 61.873 61.300 0.070 0.000 1.409 205 I CB -0.115 37.876 38.000 -0.015 0.000 1.374 205 I HN 0.239 nan 8.210 nan 0.000 0.545 206 N N 4.873 123.622 118.700 0.082 0.000 2.184 206 N HA 0.069 4.809 4.740 -0.000 0.000 0.206 206 N C -0.024 175.516 175.510 0.051 0.000 1.151 206 N CA -0.128 52.962 53.050 0.066 0.000 0.878 206 N CB 0.479 39.008 38.487 0.069 0.000 1.014 206 N HN 0.482 nan 8.380 nan 0.000 0.512 207 K N 1.147 121.578 120.400 0.051 0.000 2.842 207 K HA 0.245 4.565 4.320 -0.000 0.000 0.176 207 K C -2.153 174.471 176.600 0.040 0.000 1.080 207 K CA -1.559 54.754 56.287 0.042 0.000 0.954 207 K CB 1.897 34.422 32.500 0.041 0.000 1.203 207 K HN -0.002 nan 8.250 nan 0.000 0.611 208 P HA -0.175 nan 4.420 nan 0.000 0.231 208 P C 0.210 177.524 177.300 0.023 0.000 1.154 208 P CA 1.100 64.216 63.100 0.026 0.000 0.762 208 P CB 0.507 32.219 31.700 0.020 0.000 0.790 209 E N -0.132 120.082 120.200 0.024 0.000 2.016 209 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 209 E C 2.070 178.682 176.600 0.020 0.000 0.985 209 E CA 1.709 58.120 56.400 0.019 0.000 0.802 209 E CB -0.937 28.774 29.700 0.018 0.000 0.762 209 E HN 0.196 nan 8.360 nan 0.000 0.448 210 T N -1.273 113.298 114.554 0.029 0.000 2.942 210 T HA 0.109 4.459 4.350 -0.000 0.000 0.265 210 T C 1.351 176.078 174.700 0.045 0.000 1.062 210 T CA 0.909 63.029 62.100 0.033 0.000 1.139 210 T CB 0.007 68.900 68.868 0.042 0.000 0.883 210 T HN 0.423 nan 8.240 nan 0.000 0.468 211 G N 1.076 109.910 108.800 0.057 0.000 2.130 211 G HA2 0.104 4.064 3.960 -0.000 0.000 0.216 211 G HA3 0.104 4.064 3.960 -0.000 0.000 0.216 211 G C 0.038 175.028 174.900 0.149 0.000 0.999 211 G CA -0.049 45.101 45.100 0.082 0.000 0.686 211 G HN 0.909 nan 8.290 nan 0.000 0.515 212 A N -1.546 121.351 122.820 0.128 0.000 2.486 212 A HA 0.990 5.310 4.320 -0.000 0.000 0.277 212 A C -0.278 177.387 177.584 0.136 0.000 1.282 212 A CA -0.134 52.004 52.037 0.168 0.000 0.784 212 A CB 1.631 20.696 19.000 0.109 0.000 1.350 212 A HN 1.249 nan 8.150 nan 0.000 0.454 213 V N 0.221 120.218 119.914 0.139 0.000 2.769 213 V HA 0.667 4.787 4.120 -0.000 0.000 0.312 213 V C -0.318 175.812 176.094 0.062 0.000 1.058 213 V CA -0.427 61.937 62.300 0.107 0.000 0.952 213 V CB 1.636 33.535 31.823 0.126 0.000 1.019 213 V HN 0.910 nan 8.190 nan 0.000 0.445 214 E N 2.784 123.014 120.200 0.050 0.000 2.278 214 E HA 0.618 4.968 4.350 -0.000 0.000 0.272 214 E C -2.019 174.595 176.600 0.024 0.000 0.890 214 E CA -0.540 55.877 56.400 0.027 0.000 0.770 214 E CB 1.694 31.409 29.700 0.025 0.000 1.212 214 E HN 0.624 nan 8.360 nan 0.000 0.415 215 L N 3.428 124.657 121.223 0.010 0.000 2.381 215 L HA 0.518 4.858 4.340 -0.000 0.000 0.274 215 L C -0.434 176.429 176.870 -0.011 0.000 0.988 215 L CA -0.871 53.973 54.840 0.006 0.000 0.824 215 L CB 1.997 44.061 42.059 0.008 0.000 1.263 215 L HN 0.477 nan 8.230 nan 0.000 0.410 216 E N 1.517 121.708 120.200 -0.015 0.000 2.156 216 E HA 0.300 4.650 4.350 -0.000 0.000 0.279 216 E C -0.151 176.414 176.600 -0.059 0.000 0.965 216 E CA -0.533 55.849 56.400 -0.031 0.000 0.789 216 E CB 1.558 31.245 29.700 -0.021 0.000 1.098 216 E HN 0.634 nan 8.360 nan 0.000 0.397 217 S N 1.728 117.378 115.700 -0.082 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.034 172.435 174.600 -0.218 0.000 1.023 217 S CA 0.405 58.521 58.200 -0.141 0.000 1.114 217 S CB -1.329 61.791 63.200 -0.132 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.550 nan 4.420 nan 0.000 0.279 218 P C -0.118 177.051 177.300 -0.218 0.000 1.276 218 P CA -0.602 62.410 63.100 -0.147 0.000 0.801 218 P CB 0.542 32.224 31.700 -0.031 0.000 1.127 219 F N -0.534 119.423 119.950 0.011 0.000 2.432 219 F HA 0.480 5.007 4.527 -0.000 0.000 0.329 219 F C 0.737 176.544 175.800 0.012 0.000 1.076 219 F CA -0.454 57.553 58.000 0.012 0.000 1.018 219 F CB 0.910 39.917 39.000 0.012 0.000 1.201 219 F HN 0.047 nan 8.300 nan 0.000 0.489 220 I N 3.091 123.803 120.570 0.237 0.000 2.569 220 I HA 0.384 4.554 4.170 -0.000 0.000 0.296 220 I C -1.434 174.747 176.117 0.106 0.000 1.028 220 I CA -1.116 60.265 61.300 0.134 0.000 1.082 220 I CB 2.087 40.147 38.000 0.100 0.000 1.264 220 I HN 0.232 nan 8.210 nan 0.000 0.429 221 L N 6.893 128.159 121.223 0.071 0.000 2.280 221 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 221 L C -1.078 175.811 176.870 0.032 0.000 1.023 221 L CA -0.183 54.684 54.840 0.044 0.000 0.819 221 L CB 0.944 43.022 42.059 0.032 0.000 1.212 221 L HN 0.473 nan 8.230 nan 0.000 0.420 222 L N 6.155 127.393 121.223 0.024 0.000 2.301 222 L HA 0.794 5.134 4.340 -0.000 0.000 0.278 222 L C -0.270 176.602 176.870 0.004 0.000 1.022 222 L CA -0.424 54.422 54.840 0.011 0.000 0.854 222 L CB 1.165 43.230 42.059 0.009 0.000 1.226 222 L HN 0.778 nan 8.230 nan 0.000 0.429 223 A N 1.841 124.662 122.820 0.001 0.000 2.381 223 A HA 0.443 4.763 4.320 -0.000 0.000 0.299 223 A C -1.062 176.521 177.584 -0.002 0.000 1.049 223 A CA -0.586 51.452 52.037 0.001 0.000 0.715 223 A CB 1.463 20.466 19.000 0.005 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.528 122.926 120.400 -0.004 0.000 2.422 224 D HA 0.487 5.127 4.640 -0.000 0.000 0.227 224 D C -0.049 176.253 176.300 0.004 0.000 1.190 224 D CA 0.417 54.415 54.000 -0.004 0.000 0.905 224 D CB -0.283 40.513 40.800 -0.008 0.000 1.034 224 D HN 0.703 nan 8.370 nan 0.000 0.507 225 K N 0.738 121.143 120.400 0.008 0.000 3.663 225 K HA 0.130 4.450 4.320 -0.000 0.000 0.413 225 K C -1.405 175.206 176.600 0.018 0.000 1.089 225 K CA -1.130 55.165 56.287 0.013 0.000 0.860 225 K CB 0.249 32.756 32.500 0.011 0.000 1.492 225 K HN 0.025 nan 8.250 nan 0.000 0.517 226 K N 0.863 121.276 120.400 0.021 0.000 2.118 226 K HA 0.513 4.833 4.320 -0.000 0.000 0.264 226 K C -0.501 176.114 176.600 0.025 0.000 1.000 226 K CA -0.628 55.674 56.287 0.025 0.000 0.929 226 K CB 0.882 33.398 32.500 0.026 0.000 1.021 226 K HN 0.378 nan 8.250 nan 0.000 0.463 227 I N 1.675 122.263 120.570 0.030 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.157 176.295 176.117 0.035 0.000 1.023 227 I CA -0.106 61.212 61.300 0.031 0.000 1.100 227 I CB 1.908 39.928 38.000 0.034 0.000 1.238 227 I HN 0.624 nan 8.210 nan 0.000 0.445 228 S N 2.825 118.542 115.700 0.029 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.723 175.338 174.600 0.026 0.000 1.078 228 S CA -0.122 58.096 58.200 0.030 0.000 0.867 228 S CB 0.284 63.500 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.923 121.636 118.700 0.022 0.000 2.402 229 N HA 0.185 4.925 4.740 -0.000 0.000 0.259 229 N C 0.676 176.198 175.510 0.019 0.000 1.167 229 N CA 0.022 53.083 53.050 0.018 0.000 0.949 229 N CB 0.827 39.323 38.487 0.014 0.000 1.212 229 N HN 0.337 nan 8.380 nan 0.000 0.493 230 I N 3.190 123.772 120.570 0.021 0.000 2.502 230 I HA -0.297 3.873 4.170 -0.000 0.000 0.258 230 I C 1.891 178.018 176.117 0.016 0.000 1.172 230 I CA 1.183 62.497 61.300 0.022 0.000 1.430 230 I CB 0.205 38.219 38.000 0.022 0.000 1.086 230 I HN 0.426 nan 8.210 nan 0.000 0.440 231 R N 0.825 121.332 120.500 0.012 0.000 2.119 231 R HA -0.240 4.100 4.340 -0.000 0.000 0.246 231 R C 1.940 178.244 176.300 0.007 0.000 1.146 231 R CA 2.147 58.252 56.100 0.009 0.000 0.962 231 R CB -0.466 29.838 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.180 120.025 120.200 0.009 0.000 2.265 232 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 232 E C 1.902 178.505 176.600 0.005 0.000 0.996 232 E CA 0.839 57.242 56.400 0.006 0.000 0.832 232 E CB 0.029 29.734 29.700 0.009 0.000 0.756 232 E HN 0.268 nan 8.360 nan 0.000 0.491 233 M N 0.211 119.816 119.600 0.009 0.000 2.115 233 M HA -0.051 4.429 4.480 -0.000 0.000 0.261 233 M C 2.399 178.700 176.300 0.001 0.000 1.079 233 M CA 1.096 56.401 55.300 0.008 0.000 1.143 233 M CB -1.039 31.572 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.605 121.829 121.223 0.003 0.000 2.143 234 L HA -0.284 4.056 4.340 -0.000 0.000 0.231 234 L C -0.440 176.424 176.870 -0.010 0.000 1.106 234 L CA 2.073 56.913 54.840 -0.001 0.000 0.827 234 L CB -2.856 39.204 42.059 0.000 0.000 0.915 234 L HN 0.220 nan 8.230 nan 0.000 0.448 235 P HA -0.110 nan 4.420 nan 0.000 0.226 235 P C 1.383 178.664 177.300 -0.032 0.000 1.146 235 P CA 1.372 64.460 63.100 -0.019 0.000 0.773 235 P CB 0.208 31.898 31.700 -0.016 0.000 0.772 236 V N -1.309 118.586 119.914 -0.032 0.000 3.359 236 V HA 0.069 4.189 4.120 -0.000 0.000 0.245 236 V C 2.450 178.515 176.094 -0.050 0.000 1.247 236 V CA 0.240 62.508 62.300 -0.053 0.000 1.145 236 V CB -0.509 31.286 31.823 -0.048 0.000 0.906 236 V HN -0.044 nan 8.190 nan 0.000 0.464 237 L N 0.274 121.484 121.223 -0.023 0.000 2.456 237 L HA -0.072 4.268 4.340 -0.000 0.000 0.224 237 L C 2.230 179.094 176.870 -0.010 0.000 1.148 237 L CA 1.466 56.302 54.840 -0.007 0.000 0.825 237 L CB -0.184 41.881 42.059 0.010 0.000 0.937 237 L HN 0.468 nan 8.230 nan 0.000 0.450 238 E N -0.465 119.723 120.200 -0.020 0.000 2.251 238 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 238 E C 2.134 178.715 176.600 -0.032 0.000 0.964 238 E CA 0.625 57.014 56.400 -0.017 0.000 0.868 238 E CB 0.135 29.827 29.700 -0.013 0.000 0.828 238 E HN 0.389 nan 8.360 nan 0.000 0.481 239 A N 0.967 123.753 122.820 -0.057 0.000 2.168 239 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 239 A C 1.984 179.494 177.584 -0.123 0.000 1.152 239 A CA 0.660 52.646 52.037 -0.086 0.000 0.716 239 A CB 0.087 19.021 19.000 -0.109 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.259 118.594 119.914 -0.101 0.000 3.621 240 V HA 0.145 4.265 4.120 -0.000 0.000 0.285 240 V C 2.301 178.405 176.094 0.017 0.000 1.346 240 V CA 0.831 63.081 62.300 -0.083 0.000 1.104 240 V CB 0.041 31.819 31.823 -0.075 0.000 0.913 240 V HN 0.533 nan 8.190 nan 0.000 0.432 241 A N -0.309 122.516 122.820 0.009 0.000 1.975 241 A HA 0.092 4.412 4.320 -0.000 0.000 0.215 241 A C 1.433 179.038 177.584 0.036 0.000 1.170 241 A CA 0.687 52.741 52.037 0.028 0.000 0.656 241 A CB 0.034 19.044 19.000 0.017 0.000 0.821 241 A HN 0.450 nan 8.150 nan 0.000 0.449 242 K N -2.115 118.300 120.400 0.024 0.000 2.118 242 K HA 0.435 4.755 4.320 -0.000 0.000 0.240 242 K C 1.060 177.702 176.600 0.070 0.000 1.035 242 K CA 0.306 56.613 56.287 0.033 0.000 0.899 242 K CB 0.350 32.858 32.500 0.014 0.000 1.085 242 K HN 0.595 nan 8.250 nan 0.000 0.498 243 A N 0.323 123.191 122.820 0.080 0.000 4.115 243 A HA -0.240 4.080 4.320 -0.000 0.000 0.268 243 A C 1.205 178.864 177.584 0.125 0.000 0.917 243 A CA 1.803 53.916 52.037 0.126 0.000 1.090 243 A CB -2.439 16.697 19.000 0.226 0.000 1.067 243 A HN 1.390 nan 8.150 nan 0.000 0.828 244 G N -1.248 107.614 108.800 0.104 0.000 2.321 244 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.287 244 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.287 244 G C -0.010 174.947 174.900 0.095 0.000 1.018 244 G CA 1.520 46.672 45.100 0.086 0.000 0.855 244 G HN 1.164 nan 8.290 nan 0.000 0.507 245 K N 0.746 121.241 120.400 0.159 0.000 2.164 245 K HA 0.515 4.835 4.320 -0.000 0.000 0.258 245 K C -1.998 174.706 176.600 0.174 0.000 0.951 245 K CA -1.979 54.386 56.287 0.128 0.000 0.844 245 K CB 2.315 34.847 32.500 0.054 0.000 1.099 245 K HN 0.071 nan 8.250 nan 0.000 0.435 246 P HA 0.124 nan 4.420 nan 0.000 0.275 246 P C -1.128 176.264 177.300 0.155 0.000 1.266 246 P CA -0.527 62.639 63.100 0.111 0.000 0.793 246 P CB 0.651 32.392 31.700 0.068 0.000 1.074 247 L N 0.306 121.604 121.223 0.125 0.000 2.401 247 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 247 L C -1.411 175.498 176.870 0.066 0.000 0.991 247 L CA -1.038 53.881 54.840 0.131 0.000 0.818 247 L CB 1.691 43.822 42.059 0.120 0.000 1.321 247 L HN 0.172 nan 8.230 nan 0.000 0.413 248 L N 5.180 126.442 121.223 0.066 0.000 2.307 248 L HA 0.657 4.997 4.340 -0.000 0.000 0.284 248 L C -1.196 175.691 176.870 0.029 0.000 1.023 248 L CA -0.216 54.638 54.840 0.022 0.000 0.810 248 L CB 1.393 43.473 42.059 0.034 0.000 1.231 248 L HN 0.429 nan 8.230 nan 0.000 0.423 249 I N 6.841 127.409 120.570 -0.003 0.000 2.362 249 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 249 I C -0.384 175.748 176.117 0.025 0.000 0.994 249 I CA -0.286 61.022 61.300 0.013 0.000 1.158 249 I CB 1.232 39.235 38.000 0.006 0.000 1.315 249 I HN 0.534 nan 8.210 nan 0.000 0.451 250 I N 5.715 126.305 120.570 0.034 0.000 2.439 250 I HA 0.680 4.850 4.170 -0.000 0.000 0.283 250 I C -0.039 176.083 176.117 0.008 0.000 1.023 250 I CA -0.241 61.076 61.300 0.029 0.000 1.100 250 I CB 1.795 39.813 38.000 0.030 0.000 1.238 250 I HN 0.710 nan 8.210 nan 0.000 0.445 251 A N 4.327 127.153 122.820 0.009 0.000 2.588 251 A HA 0.426 4.746 4.320 -0.000 0.000 0.290 251 A C 0.612 178.202 177.584 0.009 0.000 1.136 251 A CA -0.537 51.504 52.037 0.007 0.000 0.681 251 A CB 1.387 20.397 19.000 0.017 0.000 1.282 251 A HN 0.711 nan 8.150 nan 0.000 0.421 252 E N -0.593 119.614 120.200 0.012 0.000 2.147 252 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 252 E C 0.115 176.733 176.600 0.030 0.000 1.005 252 E CA 2.108 58.520 56.400 0.020 0.000 0.810 252 E CB 0.073 29.787 29.700 0.023 0.000 0.736 252 E HN 0.635 nan 8.360 nan 0.000 0.460 253 D N -3.093 117.328 120.400 0.034 0.000 2.940 253 D HA 0.113 4.753 4.640 -0.000 0.000 0.304 253 D C -2.078 174.251 176.300 0.049 0.000 1.255 253 D CA -0.373 53.654 54.000 0.045 0.000 0.734 253 D CB 1.020 41.847 40.800 0.044 0.000 1.261 253 D HN -0.136 nan 8.370 nan 0.000 0.436 254 V N 1.515 121.466 119.914 0.061 0.000 2.610 254 V HA 0.421 4.541 4.120 -0.000 0.000 0.298 254 V C -0.566 175.571 176.094 0.071 0.000 1.067 254 V CA -0.685 61.655 62.300 0.067 0.000 0.894 254 V CB 1.596 33.470 31.823 0.085 0.000 1.015 254 V HN 0.442 nan 8.190 nan 0.000 0.432 255 E N 2.402 122.637 120.200 0.057 0.000 2.250 255 E HA 0.462 4.812 4.350 -0.000 0.000 0.269 255 E C 1.420 178.050 176.600 0.050 0.000 1.018 255 E CA -0.135 56.297 56.400 0.052 0.000 0.873 255 E CB 1.645 31.369 29.700 0.040 0.000 1.134 255 E HN 0.778 nan 8.360 nan 0.000 0.403 256 G N 1.685 110.513 108.800 0.046 0.000 3.437 256 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G C 1.219 176.140 174.900 0.035 0.000 1.054 256 G CA 1.658 46.782 45.100 0.040 0.000 0.704 256 G HN 0.541 nan 8.290 nan 0.000 0.713 257 E N 0.713 120.933 120.200 0.033 0.000 2.002 257 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 257 E C 2.938 179.559 176.600 0.035 0.000 0.974 257 E CA 0.952 57.369 56.400 0.029 0.000 0.853 257 E CB -0.856 28.859 29.700 0.025 0.000 0.808 257 E HN 0.327 nan 8.360 nan 0.000 0.492 258 A N 1.020 123.864 122.820 0.040 0.000 2.234 258 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 258 A C 2.076 179.703 177.584 0.071 0.000 1.167 258 A CA 1.142 53.209 52.037 0.049 0.000 0.698 258 A CB -0.468 18.561 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.576 120.692 121.223 0.076 0.000 2.013 259 L HA 0.200 4.540 4.340 -0.000 0.000 0.204 259 L C 2.513 179.428 176.870 0.076 0.000 1.081 259 L CA 2.123 57.027 54.840 0.107 0.000 0.751 259 L CB -1.008 41.114 42.059 0.104 0.000 0.901 259 L HN 0.226 nan 8.230 nan 0.000 0.440 260 A N -1.670 121.176 122.820 0.043 0.000 2.234 260 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 260 A C 2.053 179.634 177.584 -0.006 0.000 1.167 260 A CA 1.877 53.919 52.037 0.007 0.000 0.698 260 A CB -1.069 17.934 19.000 0.004 0.000 0.779 260 A HN 0.601 nan 8.150 nan 0.000 0.475 261 T N -0.083 114.483 114.554 0.019 0.000 2.814 261 T HA 0.051 4.401 4.350 -0.000 0.000 0.254 261 T C 1.756 176.471 174.700 0.025 0.000 1.037 261 T CA 1.182 63.292 62.100 0.017 0.000 1.143 261 T CB -0.241 68.644 68.868 0.030 0.000 0.866 261 T HN 0.413 nan 8.240 nan 0.000 0.431 262 L N 1.109 122.372 121.223 0.067 0.000 2.156 262 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 262 L C 2.533 179.434 176.870 0.053 0.000 1.095 262 L CA 0.588 55.495 54.840 0.112 0.000 0.770 262 L CB -0.723 41.468 42.059 0.221 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.423 119.464 119.914 -0.046 0.000 2.688 263 V HA -0.211 3.909 4.120 -0.000 0.000 0.256 263 V C 2.144 178.111 176.094 -0.211 0.000 1.084 263 V CA 1.315 63.464 62.300 -0.252 0.000 1.103 263 V CB -0.178 31.518 31.823 -0.213 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -0.994 118.848 119.914 -0.120 0.000 2.922 264 V HA -0.014 4.106 4.120 -0.000 0.000 0.242 264 V C 1.913 177.969 176.094 -0.063 0.000 1.094 264 V CA 1.105 63.337 62.300 -0.114 0.000 1.106 264 V CB -0.479 31.288 31.823 -0.093 0.000 0.799 264 V HN 0.500 nan 8.190 nan 0.000 0.474 265 N N 0.976 119.663 118.700 -0.022 0.000 2.084 265 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 265 N C 1.783 177.302 175.510 0.016 0.000 1.030 265 N CA 1.901 54.953 53.050 0.003 0.000 0.849 265 N CB -0.044 38.458 38.487 0.025 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.649 112.929 114.554 0.039 0.000 3.194 266 T HA 0.068 4.418 4.350 -0.000 0.000 0.251 266 T C 1.408 176.123 174.700 0.025 0.000 1.132 266 T CA 0.133 62.270 62.100 0.061 0.000 1.028 266 T CB 0.102 69.054 68.868 0.140 0.000 0.976 266 T HN 0.031 nan 8.240 nan 0.000 0.535 267 M N 0.666 120.252 119.600 -0.024 0.000 2.466 267 M HA 0.390 4.870 4.480 -0.000 0.000 0.265 267 M C 2.157 178.433 176.300 -0.040 0.000 1.122 267 M CA 1.050 56.315 55.300 -0.059 0.000 1.157 267 M CB 0.101 32.621 32.600 -0.132 0.000 1.352 267 M HN 0.063 nan 8.290 nan 0.000 0.464 268 R N -0.561 119.922 120.500 -0.029 0.000 2.276 268 R HA 0.293 4.633 4.340 -0.000 0.000 0.196 268 R C 0.887 177.185 176.300 -0.004 0.000 0.961 268 R CA 0.716 56.804 56.100 -0.020 0.000 1.024 268 R CB 0.089 30.377 30.300 -0.020 0.000 0.940 268 R HN 0.600 nan 8.270 nan 0.000 0.480 269 G N 1.106 109.910 108.800 0.007 0.000 2.148 269 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G C 0.122 175.036 174.900 0.023 0.000 0.993 269 G CA -0.535 44.576 45.100 0.018 0.000 0.661 269 G HN 0.207 nan 8.290 nan 0.000 0.518 270 I N 1.933 122.516 120.570 0.022 0.000 2.243 270 I HA 0.384 4.554 4.170 -0.000 0.000 0.297 270 I C 0.819 176.959 176.117 0.039 0.000 1.161 270 I CA -0.759 60.556 61.300 0.025 0.000 1.298 270 I CB 0.594 38.604 38.000 0.017 0.000 1.475 270 I HN 0.099 nan 8.210 nan 0.000 0.561 271 V N 4.662 124.604 119.914 0.046 0.000 3.814 271 V HA -0.240 3.880 4.120 -0.000 0.000 0.480 271 V C 0.183 176.323 176.094 0.076 0.000 0.682 271 V CA 0.421 62.757 62.300 0.060 0.000 1.959 271 V CB -1.495 30.361 31.823 0.056 0.000 2.372 271 V HN 0.756 nan 8.190 nan 0.000 0.501 272 K N 3.987 124.436 120.400 0.083 0.000 2.368 272 K HA 0.691 5.011 4.320 -0.000 0.000 0.282 272 K C -0.170 176.499 176.600 0.115 0.000 1.035 272 K CA -0.116 56.234 56.287 0.105 0.000 0.973 272 K CB 1.334 33.891 32.500 0.094 0.000 0.957 272 K HN 0.530 nan 8.250 nan 0.000 0.474 273 V N 0.643 120.650 119.914 0.155 0.000 3.159 273 V HA 0.872 4.992 4.120 -0.000 0.000 0.308 273 V C -1.139 174.985 176.094 0.050 0.000 1.190 273 V CA -1.057 61.308 62.300 0.108 0.000 1.037 273 V CB 2.243 34.133 31.823 0.112 0.000 1.060 273 V HN 0.822 nan 8.190 nan 0.000 0.437 274 A N 1.279 123.970 122.820 -0.216 0.000 2.594 274 A HA 1.039 5.359 4.320 -0.000 0.000 0.295 274 A C -0.925 176.360 177.584 -0.498 0.000 1.071 274 A CA -0.046 51.497 52.037 -0.823 0.000 0.685 274 A CB 1.951 20.584 19.000 -0.612 0.000 1.285 274 A HN 1.970 nan 8.150 nan 0.000 0.405 275 A N 0.112 122.579 122.820 -0.587 0.000 2.498 275 A HA 0.935 5.255 4.320 -0.000 0.000 0.298 275 A C -0.676 176.859 177.584 -0.082 0.000 1.075 275 A CA -0.091 51.833 52.037 -0.187 0.000 0.714 275 A CB 1.571 20.537 19.000 -0.056 0.000 1.299 275 A HN 2.370 nan 8.150 nan 0.000 0.407 276 V N -1.418 118.507 119.914 0.018 0.000 3.048 276 V HA 0.553 4.673 4.120 -0.000 0.000 0.303 276 V C -0.615 175.535 176.094 0.092 0.000 1.214 276 V CA -1.337 61.013 62.300 0.083 0.000 0.984 276 V CB 1.318 33.219 31.823 0.129 0.000 1.054 276 V HN 0.912 nan 8.190 nan 0.000 0.430 277 K N 2.235 122.690 120.400 0.091 0.000 2.469 277 K HA 0.500 4.820 4.320 -0.000 0.000 0.274 277 K C 0.813 177.430 176.600 0.029 0.000 0.983 277 K CA 0.527 56.851 56.287 0.061 0.000 0.974 277 K CB 0.758 33.296 32.500 0.063 0.000 0.913 277 K HN 1.149 nan 8.250 nan 0.000 0.493 278 A N 4.313 127.119 122.820 -0.025 0.000 2.364 278 A HA 0.174 4.494 4.320 -0.000 0.000 0.258 278 A C -2.022 175.458 177.584 -0.173 0.000 1.131 278 A CA -0.709 51.250 52.037 -0.130 0.000 0.800 278 A CB -0.500 18.443 19.000 -0.094 0.000 1.086 278 A HN 0.551 nan 8.150 nan 0.000 0.508 279 P HA 0.412 nan 4.420 nan 0.000 0.288 279 P C 0.670 177.935 177.300 -0.060 0.000 1.267 279 P CA 1.092 64.051 63.100 -0.234 0.000 0.815 279 P CB 0.917 32.379 31.700 -0.397 0.000 0.989 280 G N 2.891 111.717 108.800 0.044 0.000 2.581 280 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.291 280 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.291 280 G C -0.515 174.547 174.900 0.270 0.000 1.277 280 G CA 0.727 45.922 45.100 0.158 0.000 0.959 280 G HN 0.769 nan 8.290 nan 0.000 0.554 281 F N -3.472 116.477 119.950 -0.003 0.000 2.877 281 F HA 0.725 5.252 4.527 -0.000 0.000 0.319 281 F C 0.927 176.733 175.800 0.010 0.000 1.174 281 F CA 0.397 58.399 58.000 0.002 0.000 0.903 281 F CB 0.681 39.689 39.000 0.013 0.000 1.357 281 F HN 2.457 nan 8.300 nan 0.000 0.472 282 G N 0.959 109.768 108.800 0.015 0.000 2.527 282 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.268 282 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.268 282 G C 0.144 174.986 174.900 -0.097 0.000 1.175 282 G CA 0.496 45.536 45.100 -0.100 0.000 0.962 282 G HN 0.916 nan 8.290 nan 0.000 0.560 283 D N 0.949 121.275 120.400 -0.124 0.000 2.249 283 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 283 D C 2.539 178.780 176.300 -0.098 0.000 0.962 283 D CA 1.192 55.142 54.000 -0.082 0.000 0.860 283 D CB -0.017 40.746 40.800 -0.061 0.000 0.955 283 D HN 0.631 nan 8.370 nan 0.000 0.505 284 R N 1.126 121.536 120.500 -0.150 0.000 2.236 284 R HA 0.066 4.406 4.340 -0.000 0.000 0.208 284 R C 2.098 178.326 176.300 -0.120 0.000 1.036 284 R CA 0.354 56.372 56.100 -0.137 0.000 1.001 284 R CB -0.241 29.956 30.300 -0.170 0.000 0.896 284 R HN 0.002 nan 8.270 nan 0.000 0.464 285 R N 2.116 122.546 120.500 -0.116 0.000 2.066 285 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 285 R C 1.228 177.487 176.300 -0.069 0.000 1.131 285 R CA 1.550 57.604 56.100 -0.077 0.000 0.955 285 R CB -0.048 30.234 30.300 -0.030 0.000 0.851 285 R HN 0.229 nan 8.270 nan 0.000 0.432 286 K N -0.113 120.254 120.400 -0.056 0.000 2.442 286 K HA -0.018 4.302 4.320 -0.000 0.000 0.198 286 K C 1.700 178.271 176.600 -0.049 0.000 1.042 286 K CA 0.904 57.164 56.287 -0.044 0.000 0.958 286 K CB 0.179 32.660 32.500 -0.032 0.000 0.766 286 K HN 0.268 nan 8.250 nan 0.000 0.474 287 A N 0.930 123.715 122.820 -0.059 0.000 1.909 287 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 287 A C 2.048 179.595 177.584 -0.062 0.000 1.247 287 A CA 0.261 52.265 52.037 -0.055 0.000 0.660 287 A CB -0.215 18.751 19.000 -0.057 0.000 0.910 287 A HN 0.047 nan 8.150 nan 0.000 0.465 288 M N -0.367 119.186 119.600 -0.078 0.000 2.082 288 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 288 M C 2.255 178.495 176.300 -0.100 0.000 1.069 288 M CA 1.871 57.117 55.300 -0.089 0.000 1.102 288 M CB -0.499 32.033 32.600 -0.114 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.194 121.351 121.223 -0.110 0.000 2.127 289 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 289 L C 2.485 179.316 176.870 -0.064 0.000 1.089 289 L CA 1.566 56.341 54.840 -0.107 0.000 0.757 289 L CB -0.262 41.742 42.059 -0.091 0.000 0.899 289 L HN 0.318 nan 8.230 nan 0.000 0.434 290 Q N 0.049 119.819 119.800 -0.050 0.000 2.167 290 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 290 Q C 1.671 177.657 176.000 -0.024 0.000 0.970 290 Q CA 1.995 57.779 55.803 -0.031 0.000 0.855 290 Q CB -0.179 28.543 28.738 -0.028 0.000 0.911 290 Q HN 0.544 nan 8.270 nan 0.000 0.438 291 D N 0.196 120.578 120.400 -0.029 0.000 2.084 291 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 291 D C 1.897 178.195 176.300 -0.004 0.000 0.990 291 D CA 1.458 55.448 54.000 -0.016 0.000 0.826 291 D CB -0.299 40.491 40.800 -0.018 0.000 0.971 291 D HN 0.360 nan 8.370 nan 0.000 0.453 292 I N 1.334 121.899 120.570 -0.009 0.000 2.300 292 I HA -0.321 3.849 4.170 -0.000 0.000 0.252 292 I C 2.442 178.571 176.117 0.020 0.000 1.119 292 I CA 1.070 62.380 61.300 0.016 0.000 1.384 292 I CB -0.209 37.790 38.000 -0.001 0.000 1.062 292 I HN -0.055 nan 8.210 nan 0.000 0.426 293 A N 0.443 123.266 122.820 0.006 0.000 1.841 293 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 293 A C 2.378 179.971 177.584 0.015 0.000 1.195 293 A CA 2.326 54.370 52.037 0.013 0.000 0.611 293 A CB -1.106 17.896 19.000 0.004 0.000 0.835 293 A HN 0.363 nan 8.150 nan 0.000 0.443 294 T N 0.763 115.322 114.554 0.009 0.000 2.720 294 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 294 T C 1.831 176.539 174.700 0.013 0.000 1.037 294 T CA 1.314 63.419 62.100 0.009 0.000 1.144 294 T CB -0.368 68.502 68.868 0.003 0.000 0.864 294 T HN 0.296 nan 8.240 nan 0.000 0.444 295 L N 2.145 123.377 121.223 0.016 0.000 2.127 295 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 295 L C 1.841 178.725 176.870 0.023 0.000 1.089 295 L CA 2.183 57.035 54.840 0.020 0.000 0.757 295 L CB -1.250 40.826 42.059 0.028 0.000 0.899 295 L HN 0.463 nan 8.230 nan 0.000 0.434 296 T N -3.746 110.826 114.554 0.029 0.000 3.248 296 T HA 0.367 4.717 4.350 -0.000 0.000 0.271 296 T C 1.032 175.754 174.700 0.037 0.000 1.005 296 T CA 0.121 62.241 62.100 0.033 0.000 0.902 296 T CB -0.337 68.557 68.868 0.044 0.000 1.102 296 T HN 0.520 nan 8.240 nan 0.000 0.548 297 G N 0.215 109.033 108.800 0.030 0.000 2.386 297 G HA2 0.139 4.099 3.960 -0.000 0.000 0.295 297 G HA3 0.139 4.099 3.960 -0.000 0.000 0.295 297 G C 0.384 175.310 174.900 0.042 0.000 0.979 297 G CA 0.012 45.132 45.100 0.032 0.000 1.193 297 G HN 1.138 nan 8.290 nan 0.000 0.508 298 G N -1.518 107.305 108.800 0.037 0.000 3.166 298 G HA2 0.922 4.882 3.960 -0.000 0.000 0.267 298 G HA3 0.922 4.882 3.960 -0.000 0.000 0.267 298 G C -0.667 174.247 174.900 0.023 0.000 1.256 298 G CA 0.301 45.424 45.100 0.039 0.000 0.859 298 G HN 0.837 nan 8.290 nan 0.000 0.590 299 T N -0.437 114.128 114.554 0.019 0.000 2.916 299 T HA 0.520 4.870 4.350 -0.000 0.000 0.305 299 T C -0.626 174.077 174.700 0.006 0.000 1.119 299 T CA -0.365 61.741 62.100 0.009 0.000 1.008 299 T CB 1.963 70.835 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.883 122.797 119.914 0.000 0.000 2.583 300 V HA 0.385 4.505 4.120 -0.000 0.000 0.287 300 V C 0.018 176.110 176.094 -0.003 0.000 1.051 300 V CA -0.434 61.864 62.300 -0.004 0.000 1.010 300 V CB 0.676 32.493 31.823 -0.010 0.000 0.988 300 V HN 0.723 nan 8.190 nan 0.000 0.478 301 I N 5.021 125.589 120.570 -0.003 0.000 2.412 301 I HA 0.330 4.500 4.170 -0.000 0.000 0.279 301 I C 0.289 176.405 176.117 -0.002 0.000 1.063 301 I CA 0.060 61.359 61.300 -0.002 0.000 1.193 301 I CB 0.934 38.933 38.000 -0.001 0.000 1.370 301 I HN 0.725 nan 8.210 nan 0.000 0.479 302 S N 2.706 118.404 115.700 -0.003 0.000 2.621 302 S HA 0.453 4.923 4.470 -0.000 0.000 0.302 302 S C 0.449 175.049 174.600 -0.000 0.000 1.093 302 S CA -0.829 57.370 58.200 -0.002 0.000 1.017 302 S CB 2.161 65.359 63.200 -0.004 0.000 1.077 302 S HN 0.554 nan 8.310 nan 0.000 0.517 303 E N 0.357 120.558 120.200 0.001 0.000 2.442 303 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 303 E C 1.059 177.660 176.600 0.001 0.000 1.030 303 E CA 0.324 56.725 56.400 0.002 0.000 0.869 303 E CB -0.022 29.681 29.700 0.004 0.000 0.857 303 E HN 0.748 nan 8.360 nan 0.000 0.505 304 E N 0.446 120.646 120.200 0.001 0.000 2.338 304 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 304 E C 1.420 178.019 176.600 -0.001 0.000 1.007 304 E CA 0.682 57.082 56.400 -0.000 0.000 0.849 304 E CB 0.158 29.857 29.700 -0.001 0.000 0.774 304 E HN 0.340 nan 8.360 nan 0.000 0.506 305 I N -0.907 119.663 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.362 4.170 -0.000 0.000 0.334 305 I C 0.876 176.993 176.117 -0.001 0.000 1.371 305 I CA 0.027 61.326 61.300 -0.002 0.000 1.110 305 I CB 0.989 38.988 38.000 -0.002 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.156 110.956 108.800 -0.001 0.000 2.165 306 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G C -0.014 174.886 174.900 -0.001 0.000 1.035 306 G CA -0.343 44.757 45.100 -0.000 0.000 0.744 306 G HN 0.239 nan 8.290 nan 0.000 0.501 307 M N 0.294 119.893 119.600 -0.001 0.000 2.300 307 M HA 0.522 5.002 4.480 -0.000 0.000 0.348 307 M C 0.210 176.510 176.300 -0.001 0.000 1.151 307 M CA -0.212 55.087 55.300 -0.002 0.000 1.046 307 M CB 1.466 34.064 32.600 -0.002 0.000 1.647 307 M HN 0.221 nan 8.290 nan 0.000 0.451 308 E N 2.061 122.260 120.200 -0.002 0.000 2.227 308 E HA 0.328 4.678 4.350 -0.000 0.000 0.268 308 E C 0.202 176.800 176.600 -0.003 0.000 0.907 308 E CA -0.563 55.836 56.400 -0.001 0.000 0.786 308 E CB 2.236 31.935 29.700 -0.001 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.613 122.835 121.223 -0.002 0.000 2.456 309 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 309 L C 1.426 178.291 176.870 -0.007 0.000 1.148 309 L CA 0.892 55.730 54.840 -0.004 0.000 0.825 309 L CB -0.201 41.859 42.059 0.001 0.000 0.937 309 L HN 0.521 nan 8.230 nan 0.000 0.450 310 E N 0.350 120.546 120.200 -0.006 0.000 2.170 310 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 310 E C 0.647 177.240 176.600 -0.012 0.000 0.981 310 E CA 0.799 57.194 56.400 -0.008 0.000 0.830 310 E CB 0.130 29.826 29.700 -0.005 0.000 0.775 310 E HN 0.257 nan 8.360 nan 0.000 0.470 311 K N 0.731 121.125 120.400 -0.011 0.000 2.765 311 K HA 0.520 4.840 4.320 -0.000 0.000 0.246 311 K C -0.920 175.671 176.600 -0.015 0.000 1.254 311 K CA -0.233 56.047 56.287 -0.012 0.000 1.219 311 K CB 0.944 33.439 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.124 123.931 122.820 -0.022 0.000 2.442 312 A HA 0.348 4.668 4.320 -0.000 0.000 0.284 312 A C 0.227 177.785 177.584 -0.043 0.000 1.058 312 A CA -0.762 51.258 52.037 -0.027 0.000 0.738 312 A CB 0.725 19.710 19.000 -0.025 0.000 1.242 312 A HN 0.376 nan 8.150 nan 0.000 0.421 313 T N 0.076 114.603 114.554 -0.046 0.000 3.018 313 T HA 0.473 4.823 4.350 -0.000 0.000 0.338 313 T C 1.084 175.721 174.700 -0.105 0.000 1.208 313 T CA -0.147 61.914 62.100 -0.065 0.000 0.963 313 T CB 0.033 68.873 68.868 -0.047 0.000 1.697 313 T HN 0.382 nan 8.240 nan 0.000 0.560 314 L N -0.016 121.127 121.223 -0.133 0.000 2.567 314 L HA 0.266 4.606 4.340 -0.000 0.000 0.225 314 L C 2.761 179.573 176.870 -0.097 0.000 1.119 314 L CA 0.503 55.205 54.840 -0.230 0.000 0.871 314 L CB -0.363 41.510 42.059 -0.311 0.000 1.036 314 L HN 0.795 nan 8.230 nan 0.000 0.459 315 E N 0.521 120.698 120.200 -0.037 0.000 2.122 315 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 315 E C 0.951 177.561 176.600 0.017 0.000 0.977 315 E CA 0.738 57.145 56.400 0.010 0.000 0.820 315 E CB 0.336 30.040 29.700 0.006 0.000 0.770 315 E HN 0.394 nan 8.360 nan 0.000 0.462 316 D N 0.385 120.784 120.400 -0.003 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.205 176.105 176.300 0.017 0.000 1.020 316 D CA 0.307 54.310 54.000 0.005 0.000 0.892 316 D CB 0.241 41.037 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.366 121.605 121.223 0.027 0.000 2.357 317 L HA 0.391 4.731 4.340 -0.000 0.000 0.273 317 L C 1.293 178.245 176.870 0.137 0.000 1.080 317 L CA -0.501 54.381 54.840 0.070 0.000 0.803 317 L CB 1.407 43.491 42.059 0.042 0.000 1.174 317 L HN -0.175 nan 8.230 nan 0.000 0.443 318 G N 1.133 110.010 108.800 0.128 0.000 2.599 318 G HA2 0.479 4.439 3.960 -0.000 0.000 0.264 318 G HA3 0.479 4.439 3.960 -0.000 0.000 0.264 318 G C -0.987 174.002 174.900 0.148 0.000 1.200 318 G CA -0.169 44.999 45.100 0.113 0.000 0.896 318 G HN 0.601 nan 8.290 nan 0.000 0.536 319 Q N -0.993 118.852 119.800 0.074 0.000 2.403 319 Q HA 0.552 4.892 4.340 -0.000 0.000 0.267 319 Q C -1.116 174.865 176.000 -0.031 0.000 0.991 319 Q CA -0.721 55.081 55.803 -0.003 0.000 0.906 319 Q CB 1.821 30.536 28.738 -0.038 0.000 1.422 319 Q HN 0.975 nan 8.270 nan 0.000 0.400 320 A N 2.564 125.347 122.820 -0.062 0.000 2.524 320 A HA 0.600 4.920 4.320 -0.000 0.000 0.286 320 A C -0.827 176.714 177.584 -0.072 0.000 1.203 320 A CA -0.644 51.364 52.037 -0.048 0.000 0.736 320 A CB 1.593 20.579 19.000 -0.022 0.000 1.322 320 A HN 0.755 nan 8.150 nan 0.000 0.424 321 K N -0.527 119.842 120.400 -0.053 0.000 2.387 321 K HA 0.312 4.632 4.320 -0.000 0.000 0.198 321 K C -0.029 176.544 176.600 -0.045 0.000 1.022 321 K CA 0.337 56.591 56.287 -0.055 0.000 1.128 321 K CB 0.365 32.840 32.500 -0.042 0.000 0.853 321 K HN 0.514 nan 8.250 nan 0.000 0.523 322 R N 0.010 120.486 120.500 -0.040 0.000 4.584 322 R HA 0.038 4.378 4.340 -0.000 0.000 0.251 322 R C -2.181 174.101 176.300 -0.030 0.000 0.957 322 R CA -0.477 55.603 56.100 -0.032 0.000 1.195 322 R CB 0.750 31.034 30.300 -0.027 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.275 120.172 119.914 -0.028 0.000 2.932 323 V HA 0.889 5.009 4.120 -0.000 0.000 0.307 323 V C -1.229 174.845 176.094 -0.034 0.000 1.147 323 V CA -0.719 61.560 62.300 -0.036 0.000 0.951 323 V CB 2.202 34.006 31.823 -0.031 0.000 1.031 323 V HN 0.424 nan 8.190 nan 0.000 0.426 324 V N 4.570 124.453 119.914 -0.052 0.000 2.914 324 V HA 0.703 4.823 4.120 -0.000 0.000 0.314 324 V C -0.375 175.680 176.094 -0.064 0.000 1.084 324 V CA -0.501 61.775 62.300 -0.039 0.000 0.963 324 V CB 1.984 33.786 31.823 -0.035 0.000 1.025 324 V HN 1.084 nan 8.190 nan 0.000 0.432 325 I N 0.157 120.712 120.570 -0.025 0.000 2.563 325 I HA 0.508 4.678 4.170 -0.000 0.000 0.281 325 I C -0.136 175.974 176.117 -0.012 0.000 1.110 325 I CA -0.582 60.693 61.300 -0.042 0.000 1.073 325 I CB 1.204 39.197 38.000 -0.011 0.000 1.215 325 I HN 0.434 nan 8.210 nan 0.000 0.460 326 N N 4.626 123.270 118.700 -0.092 0.000 2.255 326 N HA 0.013 4.753 4.740 -0.000 0.000 0.260 326 N C 1.044 176.288 175.510 -0.443 0.000 1.288 326 N CA -0.072 52.902 53.050 -0.128 0.000 0.894 326 N CB 0.740 39.164 38.487 -0.106 0.000 1.033 326 N HN 0.682 nan 8.380 nan 0.000 0.477 327 K N 0.368 120.496 120.400 -0.453 0.000 2.097 327 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 327 K C -0.312 175.915 176.600 -0.621 0.000 1.050 327 K CA 1.819 57.642 56.287 -0.774 0.000 0.938 327 K CB 0.002 32.354 32.500 -0.246 0.000 0.718 327 K HN 0.610 nan 8.250 nan 0.000 0.442 328 D N -1.109 119.095 120.400 -0.327 0.000 2.822 328 D HA 0.103 4.743 4.640 -0.000 0.000 0.327 328 D C -1.139 175.085 176.300 -0.127 0.000 1.577 328 D CA -0.483 53.404 54.000 -0.189 0.000 0.785 328 D CB 0.874 41.611 40.800 -0.105 0.000 1.199 328 D HN -0.156 nan 8.370 nan 0.000 0.443 329 T N -0.109 114.347 114.554 -0.164 0.000 3.293 329 T HA 0.461 4.811 4.350 -0.000 0.000 0.320 329 T C -0.420 174.153 174.700 -0.212 0.000 0.995 329 T CA -0.454 61.556 62.100 -0.150 0.000 1.041 329 T CB 1.926 70.726 68.868 -0.113 0.000 1.058 329 T HN -0.052 nan 8.240 nan 0.000 0.453 330 T N 1.756 116.099 114.554 -0.352 0.000 2.884 330 T HA 0.822 5.172 4.350 -0.000 0.000 0.277 330 T C -0.052 174.334 174.700 -0.523 0.000 0.976 330 T CA -0.572 61.232 62.100 -0.493 0.000 0.956 330 T CB 1.483 69.833 68.868 -0.863 0.000 1.113 330 T HN 0.719 nan 8.240 nan 0.000 0.554 331 T N 0.836 115.122 114.554 -0.446 0.000 4.242 331 T HA 0.313 4.663 4.350 -0.000 0.000 0.422 331 T C -1.638 172.958 174.700 -0.173 0.000 1.136 331 T CA -0.600 61.324 62.100 -0.294 0.000 1.071 331 T CB -0.173 68.584 68.868 -0.185 0.000 1.260 331 T HN 0.455 nan 8.240 nan 0.000 0.453 332 I N 5.772 126.271 120.570 -0.118 0.000 2.353 332 I HA 0.521 4.691 4.170 -0.000 0.000 0.293 332 I C -0.009 176.090 176.117 -0.030 0.000 0.992 332 I CA -0.978 60.297 61.300 -0.042 0.000 1.268 332 I CB 1.472 39.485 38.000 0.021 0.000 1.387 332 I HN 0.566 nan 8.210 nan 0.000 0.478 333 I N 5.413 125.966 120.570 -0.027 0.000 2.389 333 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 333 I C -0.678 175.428 176.117 -0.019 0.000 0.999 333 I CA -0.511 60.774 61.300 -0.024 0.000 1.129 333 I CB 1.396 39.380 38.000 -0.028 0.000 1.288 333 I HN 0.613 nan 8.210 nan 0.000 0.444 334 D N 4.675 125.067 120.400 -0.014 0.000 4.867 334 D HA -0.115 4.525 4.640 -0.000 0.000 0.238 334 D C -0.213 176.079 176.300 -0.012 0.000 1.114 334 D CA 1.188 55.181 54.000 -0.012 0.000 1.283 334 D CB 0.171 40.961 40.800 -0.017 0.000 0.739 334 D HN 0.812 nan 8.370 nan 0.000 0.371 335 G N 1.597 110.395 108.800 -0.004 0.000 2.454 335 G HA2 0.506 4.466 3.960 -0.000 0.000 0.329 335 G HA3 0.506 4.466 3.960 -0.000 0.000 0.329 335 G C 1.177 176.076 174.900 -0.002 0.000 1.177 335 G CA -0.411 44.688 45.100 -0.001 0.000 0.951 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 V N 1.151 121.064 119.914 -0.001 0.000 2.720 336 V HA -0.003 4.117 4.120 -0.000 0.000 0.256 336 V C 2.165 178.264 176.094 0.008 0.000 1.082 336 V CA 1.099 63.400 62.300 0.002 0.000 1.101 336 V CB -1.269 30.559 31.823 0.008 0.000 0.693 336 V HN 0.844 nan 8.190 nan 0.000 0.479 337 G N 1.223 110.030 108.800 0.011 0.000 2.187 337 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.239 337 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.239 337 G C -0.066 174.838 174.900 0.008 0.000 1.200 337 G CA -0.093 45.014 45.100 0.011 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.858 122.063 120.200 0.007 0.000 2.354 338 E HA 0.063 4.413 4.350 -0.000 0.000 0.269 338 E C 0.671 177.273 176.600 0.004 0.000 1.036 338 E CA -0.217 56.186 56.400 0.005 0.000 0.876 338 E CB 1.328 31.032 29.700 0.006 0.000 1.009 338 E HN 0.654 nan 8.360 nan 0.000 0.416 339 E N 1.381 121.582 120.200 0.002 0.000 2.527 339 E HA -0.162 4.188 4.350 -0.000 0.000 0.204 339 E C 0.975 177.576 176.600 0.001 0.000 1.132 339 E CA 0.215 56.616 56.400 0.001 0.000 0.905 339 E CB -0.001 29.699 29.700 0.000 0.000 0.875 339 E HN 0.502 nan 8.360 nan 0.000 0.548 340 A N 1.182 124.003 122.820 0.002 0.000 1.884 340 A HA 0.226 4.546 4.320 -0.000 0.000 0.212 340 A C 2.292 179.877 177.584 0.001 0.000 1.265 340 A CA 0.756 52.794 52.037 0.001 0.000 0.626 340 A CB -0.396 18.606 19.000 0.002 0.000 0.943 340 A HN 0.281 nan 8.150 nan 0.000 0.466 341 A N -0.488 122.334 122.820 0.002 0.000 2.119 341 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 341 A C 1.957 179.542 177.584 0.001 0.000 1.153 341 A CA 1.155 53.193 52.037 0.002 0.000 0.692 341 A CB -0.552 18.450 19.000 0.003 0.000 0.799 341 A HN 0.492 nan 8.150 nan 0.000 0.458 342 I N -1.608 118.963 120.570 0.002 0.000 2.339 342 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 342 I C 2.540 178.657 176.117 -0.001 0.000 1.096 342 I CA 1.170 62.471 61.300 0.001 0.000 1.408 342 I CB -0.154 37.848 38.000 0.003 0.000 1.092 342 I HN 0.294 nan 8.210 nan 0.000 0.423 343 Q N 1.250 121.050 119.800 -0.001 0.000 2.364 343 Q HA -0.070 4.270 4.340 -0.000 0.000 0.207 343 Q C 1.862 177.860 176.000 -0.003 0.000 0.970 343 Q CA 1.553 57.354 55.803 -0.002 0.000 0.888 343 Q CB -0.288 28.449 28.738 -0.002 0.000 0.951 343 Q HN 0.471 nan 8.270 nan 0.000 0.469 344 G N -0.581 108.217 108.800 -0.002 0.000 2.459 344 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.213 344 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.213 344 G C 1.519 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.389 45.487 45.100 -0.003 0.000 0.811 344 G HN 0.278 nan 8.290 nan 0.000 0.534 345 R N 0.530 121.028 120.500 -0.005 0.000 2.115 345 R HA 0.033 4.373 4.340 -0.000 0.000 0.230 345 R C 2.367 178.662 176.300 -0.008 0.000 1.111 345 R CA 1.236 57.332 56.100 -0.007 0.000 0.976 345 R CB -0.712 29.584 30.300 -0.006 0.000 0.870 345 R HN 0.206 nan 8.270 nan 0.000 0.445 346 V N 0.572 120.482 119.914 -0.007 0.000 2.427 346 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 346 V C 2.320 178.409 176.094 -0.009 0.000 1.051 346 V CA 1.768 64.064 62.300 -0.008 0.000 1.048 346 V CB -0.845 30.975 31.823 -0.006 0.000 0.666 346 V HN 0.509 nan 8.190 nan 0.000 0.456 347 A N -0.727 122.088 122.820 -0.007 0.000 1.933 347 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 347 A C 2.190 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.773 53.805 52.037 -0.007 0.000 0.628 347 A CB -0.415 18.581 19.000 -0.006 0.000 0.814 347 A HN 0.621 nan 8.150 nan 0.000 0.444 348 Q N -0.630 119.164 119.800 -0.009 0.000 2.119 348 Q HA -0.042 4.298 4.340 -0.000 0.000 0.201 348 Q C 1.912 177.904 176.000 -0.014 0.000 0.972 348 Q CA 1.440 57.237 55.803 -0.011 0.000 0.847 348 Q CB -0.236 28.496 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.144 120.417 120.570 -0.015 0.000 2.617 349 I HA -0.153 4.017 4.170 -0.000 0.000 0.256 349 I C 2.368 178.474 176.117 -0.018 0.000 1.167 349 I CA 0.502 61.791 61.300 -0.019 0.000 1.469 349 I CB -0.105 37.882 38.000 -0.021 0.000 1.098 349 I HN 0.071 nan 8.210 nan 0.000 0.436 350 R N 0.904 121.395 120.500 -0.015 0.000 2.152 350 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 350 R C 2.205 178.497 176.300 -0.013 0.000 1.117 350 R CA 1.318 57.410 56.100 -0.013 0.000 0.981 350 R CB 0.020 30.314 30.300 -0.010 0.000 0.870 350 R HN 0.402 nan 8.270 nan 0.000 0.451 351 Q N -0.854 118.939 119.800 -0.012 0.000 2.250 351 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 351 Q C 1.753 177.745 176.000 -0.012 0.000 0.941 351 Q CA 0.514 56.311 55.803 -0.011 0.000 0.872 351 Q CB 0.393 29.125 28.738 -0.009 0.000 0.965 351 Q HN 0.373 nan 8.270 nan 0.000 0.480 352 Q N 0.392 120.183 119.800 -0.015 0.000 2.248 352 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 352 Q C 1.915 177.904 176.000 -0.018 0.000 0.984 352 Q CA 1.116 56.909 55.803 -0.018 0.000 0.875 352 Q CB -0.152 28.572 28.738 -0.024 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.722 121.281 120.570 -0.018 0.000 2.617 353 I HA -0.175 3.995 4.170 -0.000 0.000 0.256 353 I C 1.996 178.106 176.117 -0.012 0.000 1.167 353 I CA 0.614 61.904 61.300 -0.017 0.000 1.469 353 I CB -0.189 37.800 38.000 -0.018 0.000 1.098 353 I HN 0.073 nan 8.210 nan 0.000 0.436 354 E N 1.485 121.679 120.200 -0.010 0.000 2.072 354 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 354 E C 1.163 177.759 176.600 -0.005 0.000 0.982 354 E CA 1.021 57.417 56.400 -0.007 0.000 0.803 354 E CB -0.294 29.402 29.700 -0.006 0.000 0.755 354 E HN 0.581 nan 8.360 nan 0.000 0.453 355 E N 1.149 121.345 120.200 -0.006 0.000 2.301 355 E HA 0.254 4.604 4.350 -0.000 0.000 0.195 355 E C -0.250 176.348 176.600 -0.004 0.000 1.171 355 E CA -0.309 56.088 56.400 -0.005 0.000 1.142 355 E CB 0.229 29.926 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.241 124.059 122.820 -0.004 0.000 2.409 356 A HA 0.148 4.468 4.320 -0.000 0.000 0.267 356 A C 1.259 178.845 177.584 0.004 0.000 1.127 356 A CA -0.200 51.837 52.037 -0.001 0.000 0.795 356 A CB 0.146 19.144 19.000 -0.004 0.000 1.061 356 A HN 0.284 nan 8.150 nan 0.000 0.502 357 T N -0.894 113.666 114.554 0.009 0.000 3.001 357 T HA 0.361 4.711 4.350 -0.000 0.000 0.251 357 T C 0.653 175.365 174.700 0.020 0.000 1.040 357 T CA 0.592 62.700 62.100 0.013 0.000 0.985 357 T CB -0.046 68.829 68.868 0.012 0.000 1.011 357 T HN 0.780 nan 8.240 nan 0.000 0.509 358 S N -0.769 114.949 115.700 0.029 0.000 2.618 358 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 358 S C -0.391 174.241 174.600 0.052 0.000 1.138 358 S CA -0.580 57.648 58.200 0.046 0.000 0.844 358 S CB 1.699 64.939 63.200 0.067 0.000 1.127 358 S HN 0.060 nan 8.310 nan 0.000 0.474 359 D N 0.609 121.049 120.400 0.067 0.000 2.183 359 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 359 D C 1.212 177.569 176.300 0.096 0.000 0.969 359 D CA 1.133 55.172 54.000 0.066 0.000 0.842 359 D CB -0.131 40.708 40.800 0.065 0.000 0.957 359 D HN 0.580 nan 8.370 nan 0.000 0.484 360 Y N 2.163 122.460 120.300 -0.005 0.000 2.092 360 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 360 Y C 1.685 177.576 175.900 -0.014 0.000 1.126 360 Y CA 1.758 59.854 58.100 -0.007 0.000 1.111 360 Y CB -0.481 37.975 38.460 -0.007 0.000 0.987 360 Y HN -0.164 nan 8.280 nan 0.000 0.489 361 D N -0.444 120.002 120.400 0.076 0.000 2.220 361 D HA -0.239 4.401 4.640 -0.000 0.000 0.198 361 D C 2.229 178.481 176.300 -0.078 0.000 1.001 361 D CA 1.701 55.686 54.000 -0.024 0.000 0.875 361 D CB -0.198 40.618 40.800 0.026 0.000 0.921 361 D HN 0.292 nan 8.370 nan 0.000 0.454 362 R N 0.382 120.852 120.500 -0.051 0.000 2.056 362 R HA -0.118 4.222 4.340 -0.000 0.000 0.227 362 R C 1.967 178.214 176.300 -0.087 0.000 1.149 362 R CA 1.089 57.158 56.100 -0.051 0.000 0.937 362 R CB 0.074 30.362 30.300 -0.021 0.000 0.835 362 R HN 0.060 nan 8.270 nan 0.000 0.430 363 E N 1.174 121.311 120.200 -0.106 0.000 2.045 363 E HA -0.253 4.097 4.350 -0.000 0.000 0.212 363 E C 1.660 178.163 176.600 -0.161 0.000 1.039 363 E CA 1.420 57.745 56.400 -0.125 0.000 0.860 363 E CB -0.339 29.274 29.700 -0.145 0.000 0.776 363 E HN 0.214 nan 8.360 nan 0.000 0.467 364 K N 0.602 120.838 120.400 -0.273 0.000 2.589 364 K HA -0.066 4.254 4.320 -0.000 0.000 0.195 364 K C 2.036 178.546 176.600 -0.150 0.000 1.042 364 K CA 0.492 56.633 56.287 -0.244 0.000 0.940 364 K CB -0.263 32.018 32.500 -0.365 0.000 0.776 364 K HN 0.271 nan 8.250 nan 0.000 0.487 365 L N -0.660 120.492 121.223 -0.118 0.000 2.500 365 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 365 L C 2.050 178.886 176.870 -0.057 0.000 1.057 365 L CA 0.244 55.038 54.840 -0.078 0.000 0.854 365 L CB -0.061 41.959 42.059 -0.065 0.000 1.078 365 L HN 0.096 nan 8.230 nan 0.000 0.480 366 Q N 0.090 119.856 119.800 -0.057 0.000 2.297 366 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 366 Q C 1.676 177.654 176.000 -0.036 0.000 0.962 366 Q CA 0.964 56.744 55.803 -0.040 0.000 0.879 366 Q CB 0.226 28.943 28.738 -0.035 0.000 0.947 366 Q HN 0.497 nan 8.270 nan 0.000 0.462 367 E N 0.536 120.708 120.200 -0.047 0.000 2.051 367 E HA -0.077 4.273 4.350 -0.000 0.000 0.189 367 E C 2.020 178.604 176.600 -0.027 0.000 0.979 367 E CA 0.311 56.690 56.400 -0.036 0.000 0.803 367 E CB 0.107 29.780 29.700 -0.046 0.000 0.761 367 E HN 0.179 nan 8.360 nan 0.000 0.451 368 R N 0.702 121.179 120.500 -0.038 0.000 2.105 368 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 368 R C 2.567 178.856 176.300 -0.018 0.000 1.135 368 R CA 1.633 57.715 56.100 -0.030 0.000 0.967 368 R CB -0.384 29.890 30.300 -0.043 0.000 0.861 368 R HN 0.205 nan 8.270 nan 0.000 0.442 369 V N -2.418 117.484 119.914 -0.021 0.000 2.283 369 V HA -0.032 4.088 4.120 -0.000 0.000 0.243 369 V C 2.358 178.446 176.094 -0.009 0.000 1.039 369 V CA 1.461 63.752 62.300 -0.015 0.000 1.016 369 V CB -1.259 30.554 31.823 -0.017 0.000 0.650 369 V HN 0.213 nan 8.190 nan 0.000 0.449 370 A N 1.050 123.864 122.820 -0.010 0.000 1.869 370 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 370 A C 2.321 179.904 177.584 -0.001 0.000 1.203 370 A CA 2.941 54.974 52.037 -0.006 0.000 0.638 370 A CB -0.931 18.064 19.000 -0.008 0.000 0.831 370 A HN 0.628 nan 8.150 nan 0.000 0.450 371 K N -1.377 119.026 120.400 0.005 0.000 2.218 371 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 371 K C 1.720 178.330 176.600 0.017 0.000 1.046 371 K CA 1.414 57.711 56.287 0.016 0.000 0.933 371 K CB -0.241 32.280 32.500 0.034 0.000 0.728 371 K HN 0.405 nan 8.250 nan 0.000 0.454 372 L N -0.760 120.469 121.223 0.011 0.000 2.477 372 L HA 0.117 4.457 4.340 -0.000 0.000 0.220 372 L C 1.699 178.572 176.870 0.004 0.000 1.106 372 L CA 0.778 55.624 54.840 0.010 0.000 0.851 372 L CB 0.248 42.310 42.059 0.005 0.000 0.994 372 L HN 0.028 nan 8.230 nan 0.000 0.462 373 A N -1.306 121.514 122.820 0.001 0.000 1.963 373 A HA 0.344 4.664 4.320 -0.000 0.000 0.207 373 A C 1.822 179.404 177.584 -0.002 0.000 1.243 373 A CA 0.515 52.551 52.037 -0.002 0.000 0.728 373 A CB -0.693 18.304 19.000 -0.004 0.000 0.895 373 A HN 0.318 nan 8.150 nan 0.000 0.467 374 G N 0.272 109.070 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 374 G C 1.048 175.945 174.900 -0.005 0.000 1.339 374 G CA 0.620 45.717 45.100 -0.005 0.000 1.258 374 G HN 0.794 nan 8.290 nan 0.000 0.560 375 G N 0.180 108.978 108.800 -0.003 0.000 2.998 375 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.855 375 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.855 375 G C 0.138 175.033 174.900 -0.008 0.000 1.032 375 G CA 1.073 46.171 45.100 -0.003 0.000 0.804 375 G HN 0.958 nan 8.290 nan 0.000 0.970 376 V N -0.596 119.311 119.914 -0.012 0.000 2.971 376 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 376 V C 0.412 176.495 176.094 -0.018 0.000 1.130 376 V CA -0.382 61.907 62.300 -0.018 0.000 0.964 376 V CB 1.642 33.452 31.823 -0.022 0.000 1.029 376 V HN 1.422 nan 8.190 nan 0.000 0.427 377 A N 2.613 125.420 122.820 -0.021 0.000 2.310 377 A HA 0.837 5.157 4.320 -0.000 0.000 0.299 377 A C -0.735 176.836 177.584 -0.020 0.000 1.147 377 A CA -0.482 51.544 52.037 -0.020 0.000 0.818 377 A CB 1.222 20.209 19.000 -0.021 0.000 1.096 377 A HN 0.826 nan 8.150 nan 0.000 0.495 378 V N 4.064 123.968 119.914 -0.016 0.000 2.482 378 V HA 0.308 4.428 4.120 -0.000 0.000 0.295 378 V C -0.668 175.419 176.094 -0.012 0.000 1.026 378 V CA -0.093 62.198 62.300 -0.015 0.000 0.856 378 V CB 1.366 33.181 31.823 -0.014 0.000 1.001 378 V HN 0.752 nan 8.190 nan 0.000 0.424 379 I N 5.424 125.987 120.570 -0.011 0.000 2.328 379 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 379 I C 0.122 176.235 176.117 -0.006 0.000 1.012 379 I CA -0.535 60.760 61.300 -0.008 0.000 1.195 379 I CB 1.201 39.196 38.000 -0.008 0.000 1.350 379 I HN 0.445 nan 8.210 nan 0.000 0.464 380 K N 6.194 126.591 120.400 -0.005 0.000 2.266 380 K HA 0.365 4.685 4.320 -0.000 0.000 0.274 380 K C -0.286 176.313 176.600 -0.001 0.000 1.090 380 K CA -0.571 55.714 56.287 -0.003 0.000 0.925 380 K CB 1.229 33.726 32.500 -0.004 0.000 1.225 380 K HN 0.343 nan 8.250 nan 0.000 0.458 381 V N 2.446 122.360 119.914 0.000 0.000 3.083 381 V HA -0.135 3.985 4.120 -0.000 0.000 0.303 381 V C 1.669 177.764 176.094 0.001 0.000 1.151 381 V CA 0.504 62.805 62.300 0.002 0.000 1.275 381 V CB 0.113 31.938 31.823 0.004 0.000 0.950 381 V HN 0.953 nan 8.190 nan 0.000 0.506 382 G N 1.317 110.117 108.800 0.001 0.000 2.393 382 G HA2 0.507 4.467 3.960 -0.000 0.000 0.268 382 G HA3 0.507 4.467 3.960 -0.000 0.000 0.268 382 G C 0.128 175.029 174.900 0.002 0.000 1.472 382 G CA 0.481 45.582 45.100 0.001 0.000 1.059 382 G HN 1.383 nan 8.290 nan 0.000 0.555 383 A N -3.543 119.278 122.820 0.002 0.000 5.519 383 A HA 0.839 5.159 4.320 -0.000 0.000 0.158 383 A C 0.063 177.648 177.584 0.002 0.000 0.860 383 A CA 0.760 52.798 52.037 0.002 0.000 1.134 383 A CB -0.301 18.700 19.000 0.001 0.000 2.248 383 A HN 2.574 nan 8.150 nan 0.000 1.056 384 A N -0.607 122.214 122.820 0.002 0.000 3.033 384 A HA 0.576 4.896 4.320 -0.000 0.000 0.262 384 A C 1.020 178.605 177.584 0.002 0.000 1.301 384 A CA 1.160 53.198 52.037 0.001 0.000 0.727 384 A CB -2.614 16.387 19.000 0.001 0.000 1.094 384 A HN 3.571 nan 8.150 nan 0.000 0.374 385 T N -2.156 112.399 114.554 0.002 0.000 0.541 385 T HA -0.089 4.261 4.350 -0.000 0.000 0.774 385 T C 0.384 175.086 174.700 0.003 0.000 0.992 385 T CA 1.514 63.615 62.100 0.002 0.000 4.077 385 T CB -1.029 67.840 68.868 0.002 0.000 2.303 385 T HN 1.898 nan 8.240 nan 0.000 0.398 386 E N 0.948 121.150 120.200 0.003 0.000 2.058 386 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 386 E C 2.196 178.799 176.600 0.004 0.000 0.997 386 E CA 2.045 58.447 56.400 0.003 0.000 0.801 386 E CB -0.182 29.520 29.700 0.004 0.000 0.746 386 E HN 0.644 nan 8.360 nan 0.000 0.450 387 V N 1.394 121.310 119.914 0.004 0.000 2.332 387 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 387 V C 2.081 178.177 176.094 0.004 0.000 1.055 387 V CA 2.270 64.573 62.300 0.004 0.000 1.038 387 V CB -0.537 31.289 31.823 0.004 0.000 0.651 387 V HN 0.312 nan 8.190 nan 0.000 0.450 388 E N -0.794 119.408 120.200 0.004 0.000 2.158 388 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 388 E C 2.194 178.797 176.600 0.004 0.000 0.982 388 E CA 0.903 57.306 56.400 0.004 0.000 0.823 388 E CB -0.201 29.501 29.700 0.003 0.000 0.766 388 E HN 0.420 nan 8.360 nan 0.000 0.468 389 M N 1.233 120.835 119.600 0.004 0.000 2.117 389 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 389 M C 1.559 177.862 176.300 0.006 0.000 1.065 389 M CA 1.503 56.806 55.300 0.004 0.000 1.114 389 M CB -0.134 32.468 32.600 0.004 0.000 1.361 389 M HN -0.147 nan 8.290 nan 0.000 0.408 390 K N 0.106 120.510 120.400 0.006 0.000 2.439 390 K HA -0.105 4.215 4.320 -0.000 0.000 0.197 390 K C 1.740 178.344 176.600 0.008 0.000 1.041 390 K CA 0.755 57.046 56.287 0.007 0.000 0.970 390 K CB -0.190 32.314 32.500 0.008 0.000 0.773 390 K HN 0.593 nan 8.250 nan 0.000 0.479 391 E N 0.987 121.191 120.200 0.007 0.000 2.102 391 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 391 E C 1.878 178.483 176.600 0.008 0.000 0.971 391 E CA 0.477 56.881 56.400 0.007 0.000 0.821 391 E CB 0.279 29.982 29.700 0.006 0.000 0.777 391 E HN 0.078 nan 8.360 nan 0.000 0.460 392 K N 1.152 121.556 120.400 0.007 0.000 2.062 392 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 392 K C 2.239 178.845 176.600 0.010 0.000 1.051 392 K CA 1.171 57.463 56.287 0.008 0.000 0.941 392 K CB 0.015 32.519 32.500 0.006 0.000 0.719 392 K HN -0.086 nan 8.250 nan 0.000 0.440 393 K N 0.365 120.771 120.400 0.010 0.000 2.059 393 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 393 K C 1.911 178.521 176.600 0.017 0.000 1.050 393 K CA 1.612 57.906 56.287 0.012 0.000 0.927 393 K CB -0.225 32.282 32.500 0.011 0.000 0.714 393 K HN 0.211 nan 8.250 nan 0.000 0.447 394 A N 1.471 124.301 122.820 0.016 0.000 1.845 394 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 394 A C 2.064 179.661 177.584 0.021 0.000 1.195 394 A CA 1.703 53.751 52.037 0.018 0.000 0.616 394 A CB -0.612 18.395 19.000 0.013 0.000 0.832 394 A HN 0.386 nan 8.150 nan 0.000 0.443 395 R N -0.647 119.862 120.500 0.016 0.000 2.211 395 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 395 R C 1.911 178.225 176.300 0.023 0.000 1.144 395 R CA 1.291 57.402 56.100 0.017 0.000 0.992 395 R CB -0.575 29.732 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.462 396 V N 0.997 120.925 119.914 0.023 0.000 2.283 396 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 396 V C 1.984 178.102 176.094 0.040 0.000 1.039 396 V CA 1.710 64.024 62.300 0.024 0.000 1.016 396 V CB -0.333 31.500 31.823 0.017 0.000 0.650 396 V HN 0.316 nan 8.190 nan 0.000 0.449 397 E N 0.477 120.708 120.200 0.052 0.000 2.049 397 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 397 E C 2.308 178.996 176.600 0.147 0.000 1.007 397 E CA 1.538 57.997 56.400 0.097 0.000 0.809 397 E CB -0.424 29.334 29.700 0.098 0.000 0.749 397 E HN 0.582 nan 8.360 nan 0.000 0.450 398 A N 1.427 124.300 122.820 0.088 0.000 1.908 398 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 398 A C 2.363 180.001 177.584 0.090 0.000 1.181 398 A CA 1.988 54.066 52.037 0.070 0.000 0.627 398 A CB -0.793 18.222 19.000 0.025 0.000 0.818 398 A HN 0.315 nan 8.150 nan 0.000 0.445 399 A N -0.281 122.578 122.820 0.064 0.000 1.832 399 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 399 A C 2.131 179.749 177.584 0.056 0.000 1.200 399 A CA 1.757 53.824 52.037 0.050 0.000 0.610 399 A CB -0.946 18.072 19.000 0.030 0.000 0.842 399 A HN 0.977 nan 8.150 nan 0.000 0.444 400 L N -0.306 120.943 121.223 0.043 0.000 2.010 400 L HA -0.294 4.046 4.340 -0.000 0.000 0.219 400 L C 2.264 179.139 176.870 0.008 0.000 1.077 400 L CA 2.811 57.657 54.840 0.010 0.000 0.773 400 L CB -1.203 40.846 42.059 -0.016 0.000 0.892 400 L HN 0.575 nan 8.230 nan 0.000 0.436 401 H N -0.140 118.929 119.070 -0.001 0.000 2.355 401 H HA -0.195 4.361 4.556 -0.000 0.000 0.293 401 H C 2.084 177.414 175.328 0.003 0.000 1.060 401 H CA 2.218 58.267 56.048 0.001 0.000 1.167 401 H CB -0.626 29.137 29.762 0.002 0.000 1.376 401 H HN 0.527 nan 8.280 nan 0.000 0.549 402 A N 0.041 122.964 122.820 0.172 0.000 1.997 402 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 402 A C 2.676 180.293 177.584 0.056 0.000 1.172 402 A CA 2.359 54.451 52.037 0.092 0.000 0.645 402 A CB -1.027 18.010 19.000 0.062 0.000 0.813 402 A HN 0.522 nan 8.150 nan 0.000 0.454 403 T N -0.904 113.676 114.554 0.043 0.000 2.643 403 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 403 T C 2.170 176.877 174.700 0.012 0.000 1.045 403 T CA 1.323 63.436 62.100 0.021 0.000 1.155 403 T CB -0.269 68.605 68.868 0.010 0.000 0.863 403 T HN 0.365 nan 8.240 nan 0.000 0.420 404 R N 1.275 121.774 120.500 -0.002 0.000 2.134 404 R HA -0.105 4.235 4.340 -0.000 0.000 0.248 404 R C 2.409 178.712 176.300 0.005 0.000 1.143 404 R CA 1.941 58.033 56.100 -0.014 0.000 0.957 404 R CB -1.202 29.069 30.300 -0.049 0.000 0.867 404 R HN 0.450 nan 8.270 nan 0.000 0.441 405 A N -0.491 122.344 122.820 0.025 0.000 2.216 405 A HA 0.075 4.395 4.320 -0.000 0.000 0.214 405 A C 2.043 179.641 177.584 0.023 0.000 1.160 405 A CA 1.480 53.535 52.037 0.032 0.000 0.725 405 A CB -0.245 18.787 19.000 0.053 0.000 0.784 405 A HN 0.425 nan 8.150 nan 0.000 0.472 406 A N -0.938 121.894 122.820 0.019 0.000 1.942 406 A HA 0.233 4.553 4.320 -0.000 0.000 0.209 406 A C 2.015 179.604 177.584 0.010 0.000 1.214 406 A CA 0.994 53.040 52.037 0.015 0.000 0.686 406 A CB -0.566 18.443 19.000 0.015 0.000 0.871 406 A HN 0.278 nan 8.150 nan 0.000 0.460 407 V N 0.713 120.631 119.914 0.007 0.000 2.324 407 V HA -0.321 3.799 4.120 -0.000 0.000 0.250 407 V C 2.397 178.493 176.094 0.003 0.000 1.060 407 V CA 2.501 64.803 62.300 0.003 0.000 1.042 407 V CB -0.873 30.950 31.823 -0.002 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.043 120.160 120.200 0.004 0.000 2.006 408 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 408 E C 1.503 178.106 176.600 0.005 0.000 0.993 408 E CA 1.393 57.795 56.400 0.004 0.000 0.808 408 E CB -0.046 29.658 29.700 0.006 0.000 0.764 408 E HN 0.658 nan 8.360 nan 0.000 0.449 409 E N -0.194 120.009 120.200 0.006 0.000 2.685 409 E HA 0.253 4.603 4.350 -0.000 0.000 0.208 409 E C 0.102 176.706 176.600 0.006 0.000 0.996 409 E CA -0.015 56.388 56.400 0.004 0.000 1.054 409 E CB 1.208 30.910 29.700 0.002 0.000 1.075 409 E HN 0.326 nan 8.360 nan 0.000 0.460 410 G N 1.043 109.848 108.800 0.007 0.000 2.598 410 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 410 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 410 G C -0.208 174.699 174.900 0.011 0.000 1.302 410 G CA -0.278 44.827 45.100 0.009 0.000 0.903 410 G HN 0.639 nan 8.290 nan 0.000 0.575 411 V N -2.985 116.936 119.914 0.012 0.000 3.114 411 V HA 0.973 5.093 4.120 -0.000 0.000 0.308 411 V C -0.125 175.978 176.094 0.015 0.000 1.168 411 V CA 0.386 62.694 62.300 0.014 0.000 1.015 411 V CB 1.513 33.344 31.823 0.015 0.000 1.050 411 V HN 2.630 nan 8.190 nan 0.000 0.433 412 V N 2.087 122.011 119.914 0.016 0.000 3.178 412 V HA 0.894 5.014 4.120 -0.000 0.000 0.302 412 V C 0.456 176.563 176.094 0.021 0.000 1.262 412 V CA -0.260 62.051 62.300 0.019 0.000 1.030 412 V CB 1.835 33.668 31.823 0.017 0.000 1.074 412 V HN 2.671 nan 8.190 nan 0.000 0.438 413 A N 3.634 126.469 122.820 0.026 0.000 2.500 413 A HA 0.401 4.721 4.320 -0.000 0.000 0.281 413 A C 1.067 178.666 177.584 0.024 0.000 1.092 413 A CA 1.111 53.165 52.037 0.029 0.000 0.909 413 A CB -1.333 17.690 19.000 0.038 0.000 0.958 413 A HN 2.110 nan 8.150 nan 0.000 0.535 414 G N 1.451 110.263 108.800 0.021 0.000 2.486 414 G HA2 0.514 4.474 3.960 -0.000 0.000 0.272 414 G HA3 0.514 4.474 3.960 -0.000 0.000 0.272 414 G C 1.259 176.170 174.900 0.018 0.000 1.426 414 G CA -0.055 45.055 45.100 0.018 0.000 1.058 414 G HN 2.232 nan 8.290 nan 0.000 0.531 415 G N -2.240 106.569 108.800 0.016 0.000 2.249 415 G HA2 0.227 4.187 3.960 -0.000 0.000 0.273 415 G HA3 0.227 4.187 3.960 -0.000 0.000 0.273 415 G C 1.490 176.398 174.900 0.014 0.000 1.036 415 G CA 1.176 46.286 45.100 0.018 0.000 0.824 415 G HN 2.489 nan 8.290 nan 0.000 0.504 416 G N -2.878 105.928 108.800 0.009 0.000 2.241 416 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 416 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 416 G C 1.893 176.796 174.900 0.006 0.000 0.998 416 G CA 1.772 46.873 45.100 0.002 0.000 0.621 416 G HN 2.039 nan 8.290 nan 0.000 0.519 417 V N -0.921 119.002 119.914 0.014 0.000 2.283 417 V HA 0.300 4.420 4.120 -0.000 0.000 0.243 417 V C 3.098 179.205 176.094 0.022 0.000 1.039 417 V CA 2.252 64.564 62.300 0.020 0.000 1.016 417 V CB -1.744 30.096 31.823 0.027 0.000 0.650 417 V HN 1.685 nan 8.190 nan 0.000 0.449 418 A N 1.594 124.427 122.820 0.022 0.000 1.899 418 A HA -0.300 4.020 4.320 -0.000 0.000 0.230 418 A C 2.280 179.875 177.584 0.018 0.000 1.593 418 A CA 3.196 55.246 52.037 0.021 0.000 0.728 418 A CB -1.131 17.878 19.000 0.016 0.000 0.848 418 A HN 0.627 nan 8.150 nan 0.000 0.490 419 L N -0.965 120.266 121.223 0.013 0.000 2.005 419 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 419 L C 2.618 179.495 176.870 0.012 0.000 1.072 419 L CA 1.628 56.474 54.840 0.011 0.000 0.744 419 L CB -0.776 41.287 42.059 0.007 0.000 0.895 419 L HN 0.443 nan 8.230 nan 0.000 0.433 420 I N -0.318 120.260 120.570 0.013 0.000 2.315 420 I HA -0.302 3.868 4.170 -0.000 0.000 0.251 420 I C 2.818 178.949 176.117 0.023 0.000 1.125 420 I CA 0.927 62.236 61.300 0.015 0.000 1.392 420 I CB -0.447 37.562 38.000 0.015 0.000 1.065 420 I HN 0.280 nan 8.210 nan 0.000 0.424 421 R N 1.492 122.009 120.500 0.028 0.000 2.082 421 R HA -0.111 4.229 4.340 -0.000 0.000 0.228 421 R C 2.201 178.517 176.300 0.026 0.000 1.140 421 R CA 1.858 57.980 56.100 0.035 0.000 0.920 421 R CB -1.125 29.200 30.300 0.040 0.000 0.828 421 R HN 0.096 nan 8.270 nan 0.000 0.430 422 V N 1.267 121.193 119.914 0.021 0.000 2.218 422 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 422 V C 2.275 178.377 176.094 0.013 0.000 1.057 422 V CA 2.629 64.938 62.300 0.015 0.000 1.022 422 V CB -1.265 30.564 31.823 0.010 0.000 0.645 422 V HN 0.626 nan 8.190 nan 0.000 0.451 423 A N 0.242 123.069 122.820 0.011 0.000 2.245 423 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 423 A C 2.326 179.917 177.584 0.011 0.000 1.171 423 A CA 2.096 54.139 52.037 0.010 0.000 0.688 423 A CB -0.628 18.376 19.000 0.008 0.000 0.781 423 A HN 0.804 nan 8.150 nan 0.000 0.479 424 S N -1.002 114.708 115.700 0.016 0.000 2.478 424 S HA 0.044 4.514 4.470 -0.000 0.000 0.222 424 S C 1.672 176.281 174.600 0.015 0.000 1.008 424 S CA 0.717 58.927 58.200 0.017 0.000 0.928 424 S CB -0.025 63.190 63.200 0.025 0.000 0.781 424 S HN 0.623 nan 8.310 nan 0.000 0.518 425 K N 1.427 121.835 120.400 0.014 0.000 2.021 425 K HA 0.259 4.579 4.320 -0.000 0.000 0.205 425 K C 1.300 177.905 176.600 0.008 0.000 1.047 425 K CA 0.780 57.074 56.287 0.011 0.000 0.943 425 K CB -0.445 32.062 32.500 0.012 0.000 0.725 425 K HN 0.303 nan 8.250 nan 0.000 0.439 426 L N 1.689 122.916 121.223 0.007 0.000 2.885 426 L HA -0.044 4.296 4.340 -0.000 0.000 0.258 426 L C 1.762 178.635 176.870 0.005 0.000 1.146 426 L CA -0.315 54.528 54.840 0.005 0.000 0.922 426 L CB -0.720 41.342 42.059 0.004 0.000 1.138 426 L HN 0.200 nan 8.230 nan 0.000 0.431 427 A N -0.639 122.184 122.820 0.005 0.000 2.172 427 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 427 A C 1.759 179.345 177.584 0.003 0.000 1.154 427 A CA 1.220 53.260 52.037 0.005 0.000 0.701 427 A CB -0.168 18.835 19.000 0.006 0.000 0.789 427 A HN 0.394 nan 8.150 nan 0.000 0.465 428 D N -1.195 119.207 120.400 0.003 0.000 2.389 428 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 428 D C 0.327 176.628 176.300 0.002 0.000 1.055 428 D CA -0.223 53.778 54.000 0.002 0.000 0.856 428 D CB 0.037 40.838 40.800 0.002 0.000 0.957 428 D HN 0.346 nan 8.370 nan 0.000 0.509 429 L N 2.273 123.497 121.223 0.002 0.000 2.578 429 L HA 0.000 4.340 4.340 -0.000 0.000 0.279 429 L C 0.194 177.065 176.870 0.001 0.000 1.227 429 L CA 0.776 55.616 54.840 0.001 0.000 0.900 429 L CB 0.054 42.114 42.059 0.001 0.000 1.144 429 L HN -0.156 nan 8.230 nan 0.000 0.496 430 R N 3.112 123.612 120.500 0.000 0.000 2.855 430 R HA 0.726 5.066 4.340 -0.000 0.000 0.266 430 R C -0.253 176.047 176.300 -0.000 0.000 1.034 430 R CA -0.345 55.755 56.100 0.000 0.000 0.944 430 R CB 1.470 31.770 30.300 0.000 0.000 1.219 430 R HN 0.792 nan 8.270 nan 0.000 0.474 431 G N -0.376 108.424 108.800 -0.000 0.000 3.212 431 G HA2 0.225 4.185 3.960 -0.000 0.000 0.188 431 G HA3 0.225 4.185 3.960 -0.000 0.000 0.188 431 G C 0.021 174.921 174.900 -0.001 0.000 1.254 431 G CA -0.197 44.902 45.100 -0.001 0.000 0.957 431 G HN 0.412 nan 8.290 nan 0.000 0.596 432 Q N -0.390 119.409 119.800 -0.001 0.000 2.204 432 Q HA 0.107 4.447 4.340 -0.000 0.000 0.198 432 Q C -0.076 175.923 176.000 -0.002 0.000 0.946 432 Q CA 0.726 56.528 55.803 -0.001 0.000 0.859 432 Q CB 0.127 28.864 28.738 -0.002 0.000 0.946 432 Q HN 0.588 nan 8.270 nan 0.000 0.474 433 N N -1.535 117.164 118.700 -0.002 0.000 2.321 433 N HA 0.404 5.144 4.740 -0.000 0.000 0.290 433 N C -0.053 175.456 175.510 -0.001 0.000 1.212 433 N CA -0.031 53.018 53.050 -0.002 0.000 0.767 433 N CB 0.712 39.198 38.487 -0.002 0.000 1.494 433 N HN -0.074 nan 8.380 nan 0.000 0.479 434 A N 0.444 123.263 122.820 -0.001 0.000 1.903 434 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 434 A C 1.034 178.617 177.584 -0.001 0.000 1.191 434 A CA 2.072 54.108 52.037 -0.001 0.000 0.638 434 A CB -1.008 17.991 19.000 -0.001 0.000 0.823 434 A HN 0.758 nan 8.150 nan 0.000 0.451 435 D N -1.195 119.205 120.400 -0.001 0.000 2.411 435 D HA -0.069 4.571 4.640 -0.000 0.000 0.226 435 D C 1.674 177.973 176.300 -0.001 0.000 0.988 435 D CA 1.030 55.029 54.000 -0.002 0.000 0.938 435 D CB -0.043 40.756 40.800 -0.002 0.000 0.883 435 D HN 0.734 nan 8.370 nan 0.000 0.525 436 Q N -1.014 118.785 119.800 -0.001 0.000 2.404 436 Q HA 0.095 4.435 4.340 -0.000 0.000 0.262 436 Q C 1.415 177.414 176.000 -0.000 0.000 0.846 436 Q CA -0.222 55.580 55.803 -0.001 0.000 0.978 436 Q CB 0.535 29.272 28.738 -0.001 0.000 1.156 436 Q HN 0.030 nan 8.270 nan 0.000 0.548 437 N N 0.155 118.855 118.700 -0.000 0.000 2.166 437 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 437 N C 1.665 177.176 175.510 0.000 0.000 1.019 437 N CA 1.069 54.119 53.050 -0.000 0.000 0.856 437 N CB 0.040 38.527 38.487 -0.000 0.000 0.993 437 N HN 0.048 nan 8.380 nan 0.000 0.426 438 V N 0.701 120.615 119.914 0.000 0.000 2.548 438 V HA -0.065 4.055 4.120 -0.000 0.000 0.249 438 V C 2.297 178.391 176.094 0.001 0.000 1.055 438 V CA 1.692 63.992 62.300 0.000 0.000 1.065 438 V CB -0.975 30.848 31.823 0.000 0.000 0.681 438 V HN 0.317 nan 8.190 nan 0.000 0.462 439 G N -0.481 108.319 108.800 0.000 0.000 2.535 439 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 439 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 439 G C 1.394 176.295 174.900 0.001 0.000 1.122 439 G CA 0.735 45.836 45.100 0.001 0.000 0.769 439 G HN 0.511 nan 8.290 nan 0.000 0.549 440 I N -0.516 120.054 120.570 0.001 0.000 2.726 440 I HA 0.050 4.220 4.170 -0.000 0.000 0.243 440 I C 2.388 178.506 176.117 0.001 0.000 1.082 440 I CA 0.170 61.471 61.300 0.001 0.000 1.447 440 I CB -0.123 37.877 38.000 0.001 0.000 1.250 440 I HN -0.161 nan 8.210 nan 0.000 0.453 441 K N 1.026 121.427 120.400 0.001 0.000 2.163 441 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 441 K C 2.068 178.669 176.600 0.002 0.000 1.048 441 K CA 1.225 57.513 56.287 0.002 0.000 0.928 441 K CB -0.997 31.504 32.500 0.001 0.000 0.716 441 K HN 0.200 nan 8.250 nan 0.000 0.459 442 V N 1.190 121.105 119.914 0.002 0.000 2.295 442 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 442 V C 2.401 178.496 176.094 0.002 0.000 1.049 442 V CA 2.020 64.321 62.300 0.002 0.000 1.024 442 V CB -0.698 31.126 31.823 0.002 0.000 0.648 442 V HN 0.369 nan 8.190 nan 0.000 0.447 443 A N -0.895 121.926 122.820 0.002 0.000 2.070 443 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 443 A C 2.128 179.713 177.584 0.003 0.000 1.159 443 A CA 1.463 53.502 52.037 0.003 0.000 0.656 443 A CB -0.340 18.661 19.000 0.002 0.000 0.800 443 A HN 0.538 nan 8.150 nan 0.000 0.453 444 L N -1.618 119.607 121.223 0.003 0.000 2.071 444 L HA 0.002 4.342 4.340 -0.000 0.000 0.201 444 L C 2.617 179.488 176.870 0.003 0.000 1.076 444 L CA 1.168 56.010 54.840 0.003 0.000 0.755 444 L CB -0.580 41.481 42.059 0.003 0.000 0.915 444 L HN 0.365 nan 8.230 nan 0.000 0.445 445 R N 0.926 121.428 120.500 0.002 0.000 2.261 445 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 445 R C 1.657 177.957 176.300 -0.000 0.000 1.141 445 R CA 1.299 57.399 56.100 0.001 0.000 1.001 445 R CB -0.088 30.212 30.300 0.001 0.000 0.866 445 R HN 0.382 nan 8.270 nan 0.000 0.468 446 A N -0.425 122.396 122.820 0.001 0.000 2.307 446 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 446 A C 1.458 179.043 177.584 0.002 0.000 1.228 446 A CA -0.045 51.993 52.037 0.001 0.000 0.857 446 A CB 0.085 19.087 19.000 0.003 0.000 0.897 446 A HN 0.317 nan 8.150 nan 0.000 0.495 447 M N -1.427 118.174 119.600 0.001 0.000 2.461 447 M HA 0.122 4.602 4.480 -0.000 0.000 0.255 447 M C 1.049 177.348 176.300 -0.001 0.000 1.137 447 M CA 0.411 55.712 55.300 0.002 0.000 1.086 447 M CB 0.176 32.778 32.600 0.003 0.000 1.356 447 M HN 0.326 nan 8.290 nan 0.000 0.487 448 E N 1.122 121.320 120.200 -0.003 0.000 2.511 448 E HA 0.034 4.384 4.350 -0.000 0.000 0.196 448 E C 1.730 178.322 176.600 -0.013 0.000 1.066 448 E CA 0.215 56.610 56.400 -0.007 0.000 0.871 448 E CB 0.137 29.832 29.700 -0.007 0.000 0.863 448 E HN 0.461 nan 8.360 nan 0.000 0.520 449 A N 2.096 124.910 122.820 -0.010 0.000 1.826 449 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 449 A C -0.400 177.174 177.584 -0.017 0.000 1.212 449 A CA 0.663 52.693 52.037 -0.012 0.000 0.605 449 A CB -1.480 17.516 19.000 -0.007 0.000 0.861 449 A HN 0.075 nan 8.150 nan 0.000 0.447 450 P HA -0.224 nan 4.420 nan 0.000 0.219 450 P C 1.654 178.940 177.300 -0.023 0.000 1.158 450 P CA 1.533 64.626 63.100 -0.012 0.000 0.895 450 P CB -0.073 31.624 31.700 -0.005 0.000 0.792 451 L N -0.819 120.387 121.223 -0.028 0.000 1.973 451 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 451 L C 2.422 179.248 176.870 -0.073 0.000 1.073 451 L CA 1.731 56.541 54.840 -0.050 0.000 0.746 451 L CB -0.861 41.169 42.059 -0.050 0.000 0.891 451 L HN -0.292 nan 8.230 nan 0.000 0.433 452 R N -0.978 119.484 120.500 -0.063 0.000 2.228 452 R HA -0.299 4.041 4.340 -0.000 0.000 0.259 452 R C 2.238 178.500 176.300 -0.065 0.000 1.183 452 R CA 1.863 57.923 56.100 -0.067 0.000 1.002 452 R CB -0.298 29.976 30.300 -0.043 0.000 0.879 452 R HN 0.482 nan 8.270 nan 0.000 0.467 453 Q N 0.522 120.292 119.800 -0.051 0.000 2.013 453 Q HA -0.004 4.336 4.340 -0.000 0.000 0.195 453 Q C 1.878 177.849 176.000 -0.049 0.000 0.974 453 Q CA 1.411 57.190 55.803 -0.041 0.000 0.826 453 Q CB -0.052 28.670 28.738 -0.027 0.000 0.895 453 Q HN 0.328 nan 8.270 nan 0.000 0.448 454 I N -0.021 120.520 120.570 -0.048 0.000 2.315 454 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 454 I C 1.931 178.005 176.117 -0.072 0.000 1.125 454 I CA 0.885 62.158 61.300 -0.044 0.000 1.392 454 I CB -0.591 37.391 38.000 -0.030 0.000 1.065 454 I HN 0.019 nan 8.210 nan 0.000 0.424 455 V N 0.893 120.728 119.914 -0.131 0.000 2.913 455 V HA -0.202 3.918 4.120 -0.000 0.000 0.260 455 V C 2.222 178.246 176.094 -0.117 0.000 1.098 455 V CA 1.311 63.490 62.300 -0.203 0.000 1.121 455 V CB -0.360 31.291 31.823 -0.287 0.000 0.714 455 V HN 0.367 nan 8.190 nan 0.000 0.487 456 L N 0.220 121.397 121.223 -0.077 0.000 2.249 456 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 456 L C 1.806 178.657 176.870 -0.033 0.000 1.090 456 L CA 1.348 56.158 54.840 -0.049 0.000 0.802 456 L CB -0.498 41.537 42.059 -0.040 0.000 0.947 456 L HN 0.262 nan 8.230 nan 0.000 0.453 457 N N -1.257 117.426 118.700 -0.029 0.000 2.567 457 N HA -0.056 4.684 4.740 -0.000 0.000 0.195 457 N C 0.675 176.179 175.510 -0.010 0.000 1.242 457 N CA 0.700 53.740 53.050 -0.016 0.000 0.884 457 N CB -0.367 38.113 38.487 -0.013 0.000 1.007 457 N HN 0.379 nan 8.380 nan 0.000 0.450 458 C N -1.698 117.593 119.300 -0.013 0.000 3.525 458 C HA 0.396 4.856 4.460 -0.000 0.000 0.289 458 C C 1.624 176.614 174.990 -0.001 0.000 1.496 458 C CA -0.289 58.729 59.018 0.001 0.000 1.804 458 C CB -0.396 27.355 27.740 0.018 0.000 2.708 458 C HN 0.478 nan 8.230 nan 0.000 0.642 459 G N 1.763 110.556 108.800 -0.011 0.000 2.180 459 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.263 459 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.263 459 G C -0.284 174.611 174.900 -0.008 0.000 0.989 459 G CA 0.484 45.579 45.100 -0.008 0.000 0.692 459 G HN 0.563 nan 8.290 nan 0.000 0.526 460 E N 0.967 121.155 120.200 -0.020 0.000 2.156 460 E HA 0.285 4.635 4.350 -0.000 0.000 0.279 460 E C 0.404 176.975 176.600 -0.049 0.000 0.965 460 E CA -0.555 55.831 56.400 -0.023 0.000 0.789 460 E CB 0.799 30.487 29.700 -0.021 0.000 1.098 460 E HN 0.578 nan 8.360 nan 0.000 0.397 461 E N 4.210 124.394 120.200 -0.027 0.000 2.757 461 E HA -0.100 4.250 4.350 -0.000 0.000 0.238 461 E C -1.562 175.005 176.600 -0.055 0.000 1.057 461 E CA -0.792 55.591 56.400 -0.029 0.000 0.952 461 E CB 0.224 29.920 29.700 -0.008 0.000 0.934 461 E HN 0.209 nan 8.360 nan 0.000 0.518 462 P HA -0.142 nan 4.420 nan 0.000 0.219 462 P C 1.033 178.299 177.300 -0.057 0.000 1.150 462 P CA 0.823 63.869 63.100 -0.090 0.000 0.814 462 P CB 0.306 31.961 31.700 -0.074 0.000 0.787 463 S N -0.306 115.374 115.700 -0.034 0.000 2.390 463 S HA -0.185 4.285 4.470 -0.000 0.000 0.234 463 S C 1.921 176.516 174.600 -0.009 0.000 1.063 463 S CA 1.896 60.086 58.200 -0.017 0.000 1.108 463 S CB -1.612 61.582 63.200 -0.009 0.000 0.975 463 S HN -0.007 nan 8.310 nan 0.000 0.442 464 V N 1.247 121.159 119.914 -0.004 0.000 2.251 464 V HA -0.078 4.042 4.120 -0.000 0.000 0.237 464 V C 2.351 178.465 176.094 0.033 0.000 1.040 464 V CA 1.254 63.568 62.300 0.022 0.000 1.005 464 V CB -1.007 30.842 31.823 0.043 0.000 0.645 464 V HN 0.364 nan 8.190 nan 0.000 0.458 465 V N 0.733 120.652 119.914 0.010 0.000 2.353 465 V HA -0.397 3.723 4.120 -0.000 0.000 0.260 465 V C 2.593 178.694 176.094 0.011 0.000 1.091 465 V CA 2.483 64.779 62.300 -0.006 0.000 1.088 465 V CB -1.348 30.255 31.823 -0.368 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.205 123.008 122.820 -0.028 0.000 1.835 466 A HA -0.222 4.098 4.320 -0.000 0.000 0.213 466 A C 2.055 179.651 177.584 0.020 0.000 1.210 466 A CA 1.796 53.826 52.037 -0.012 0.000 0.605 466 A CB -0.875 18.110 19.000 -0.025 0.000 0.860 466 A HN 0.605 nan 8.150 nan 0.000 0.447 467 N N -0.484 118.227 118.700 0.018 0.000 2.096 467 N HA -0.190 4.550 4.740 -0.000 0.000 0.195 467 N C 1.605 177.136 175.510 0.036 0.000 1.017 467 N CA 2.730 55.794 53.050 0.024 0.000 0.870 467 N CB -0.509 37.990 38.487 0.020 0.000 1.024 467 N HN 0.383 nan 8.380 nan 0.000 0.434 468 T N -0.820 113.763 114.554 0.048 0.000 2.812 468 T HA -0.017 4.333 4.350 -0.000 0.000 0.264 468 T C 1.828 176.563 174.700 0.058 0.000 1.042 468 T CA 1.117 63.236 62.100 0.031 0.000 1.140 468 T CB -0.246 68.613 68.868 -0.015 0.000 0.870 468 T HN 0.071 nan 8.240 nan 0.000 0.445 469 V N 1.395 121.351 119.914 0.070 0.000 2.626 469 V HA -0.123 3.997 4.120 -0.000 0.000 0.252 469 V C 2.373 178.528 176.094 0.101 0.000 1.067 469 V CA 1.437 63.765 62.300 0.047 0.000 1.081 469 V CB -0.444 31.401 31.823 0.037 0.000 0.686 469 V HN 0.454 nan 8.190 nan 0.000 0.468 470 K N 0.420 120.865 120.400 0.075 0.000 2.031 470 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 470 K C 1.983 178.627 176.600 0.074 0.000 1.049 470 K CA 1.164 57.490 56.287 0.065 0.000 0.939 470 K CB -0.538 31.986 32.500 0.039 0.000 0.717 470 K HN 0.524 nan 8.250 nan 0.000 0.438 471 G N 0.772 109.614 108.800 0.070 0.000 2.959 471 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.203 471 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.203 471 G C 0.410 175.343 174.900 0.055 0.000 1.176 471 G CA 0.619 45.749 45.100 0.051 0.000 0.860 471 G HN 0.368 nan 8.290 nan 0.000 0.507 472 G N -0.460 108.400 108.800 0.100 0.000 3.253 472 G HA2 0.618 4.578 3.960 -0.000 0.000 0.175 472 G HA3 0.618 4.578 3.960 -0.000 0.000 0.175 472 G C -1.311 173.629 174.900 0.066 0.000 1.098 472 G CA 0.141 45.277 45.100 0.060 0.000 0.790 472 G HN 0.404 nan 8.290 nan 0.000 0.648 473 D N -2.993 117.459 120.400 0.087 0.000 2.808 473 D HA 0.525 5.165 4.640 -0.000 0.000 0.294 473 D C 0.401 176.755 176.300 0.091 0.000 1.278 473 D CA 0.675 54.719 54.000 0.074 0.000 0.756 473 D CB 0.349 41.165 40.800 0.026 0.000 1.271 473 D HN 1.959 nan 8.370 nan 0.000 0.425 474 G N 0.118 108.962 108.800 0.073 0.000 2.553 474 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 474 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 474 G C -0.219 174.743 174.900 0.104 0.000 1.277 474 G CA 0.028 45.172 45.100 0.074 0.000 0.910 474 G HN 0.794 nan 8.290 nan 0.000 0.576 475 N N 0.052 118.816 118.700 0.107 0.000 2.322 475 N HA 0.197 4.937 4.740 -0.000 0.000 0.216 475 N C 0.024 175.632 175.510 0.163 0.000 1.144 475 N CA -0.158 52.957 53.050 0.107 0.000 0.830 475 N CB 0.174 38.707 38.487 0.076 0.000 1.034 475 N HN 0.490 nan 8.380 nan 0.000 0.484 476 Y N 1.329 121.657 120.300 0.048 0.000 2.537 476 Y HA 0.341 4.891 4.550 -0.000 0.000 0.339 476 Y C 0.558 176.522 175.900 0.106 0.000 1.066 476 Y CA -0.258 57.883 58.100 0.068 0.000 1.357 476 Y CB 0.135 38.623 38.460 0.046 0.000 1.175 476 Y HN -0.026 nan 8.280 nan 0.000 0.525 477 G N 4.542 113.240 108.800 -0.169 0.000 3.247 477 G HA2 0.304 4.264 3.960 -0.000 0.000 0.226 477 G HA3 0.304 4.264 3.960 -0.000 0.000 0.226 477 G C -2.220 172.636 174.900 -0.073 0.000 1.220 477 G CA -0.867 44.149 45.100 -0.140 0.000 0.875 477 G HN 0.601 nan 8.290 nan 0.000 0.606 478 Y N 0.928 121.140 120.300 -0.148 0.000 2.373 478 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 478 Y C -0.597 175.172 175.900 -0.218 0.000 0.979 478 Y CA -1.188 56.734 58.100 -0.296 0.000 1.080 478 Y CB 1.782 40.022 38.460 -0.367 0.000 1.190 478 Y HN 0.442 nan 8.280 nan 0.000 0.446 479 N N 4.471 122.906 118.700 -0.441 0.000 2.430 479 N HA 0.209 4.949 4.740 -0.000 0.000 0.265 479 N C 0.530 175.866 175.510 -0.290 0.000 1.100 479 N CA 0.754 53.650 53.050 -0.256 0.000 0.961 479 N CB 1.814 40.155 38.487 -0.242 0.000 1.075 479 N HN 0.978 nan 8.380 nan 0.000 0.478 480 A N 4.548 127.394 122.820 0.044 0.000 1.858 480 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 480 A C 2.070 179.669 177.584 0.026 0.000 1.190 480 A CA 2.023 54.158 52.037 0.165 0.000 0.617 480 A CB -1.022 18.043 19.000 0.107 0.000 0.827 480 A HN 0.758 nan 8.150 nan 0.000 0.443 481 A N -0.453 122.350 122.820 -0.028 0.000 1.851 481 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 481 A C 2.487 180.023 177.584 -0.079 0.000 1.195 481 A CA 2.891 54.903 52.037 -0.041 0.000 0.622 481 A CB -1.495 17.484 19.000 -0.036 0.000 0.831 481 A HN 0.885 nan 8.150 nan 0.000 0.444 482 T N -3.572 110.903 114.554 -0.132 0.000 3.055 482 T HA 0.029 4.379 4.350 -0.000 0.000 0.265 482 T C 0.542 175.112 174.700 -0.217 0.000 1.111 482 T CA 1.115 63.125 62.100 -0.150 0.000 1.118 482 T CB -0.379 68.400 68.868 -0.147 0.000 0.909 482 T HN 0.596 nan 8.240 nan 0.000 0.501 483 E N 0.482 120.468 120.200 -0.356 0.000 2.868 483 E HA -0.126 4.224 4.350 -0.000 0.000 0.278 483 E C -0.774 175.463 176.600 -0.605 0.000 1.009 483 E CA 0.752 56.871 56.400 -0.468 0.000 0.856 483 E CB -1.157 28.454 29.700 -0.149 0.000 1.428 483 E HN 0.684 nan 8.360 nan 0.000 0.423 484 E N -0.529 119.274 120.200 -0.663 0.000 2.340 484 E HA 0.410 4.760 4.350 -0.000 0.000 0.273 484 E C -0.245 176.046 176.600 -0.515 0.000 0.891 484 E CA -0.639 55.493 56.400 -0.446 0.000 0.757 484 E CB 0.994 30.589 29.700 -0.175 0.000 1.231 484 E HN -0.021 nan 8.360 nan 0.000 0.439 485 Y N 0.370 120.550 120.300 -0.200 0.000 2.314 485 Y HA 0.588 5.138 4.550 -0.000 0.000 0.359 485 Y C 1.491 177.378 175.900 -0.023 0.000 1.360 485 Y CA 0.772 58.784 58.100 -0.147 0.000 1.697 485 Y CB 0.550 38.959 38.460 -0.085 0.000 1.630 485 Y HN 0.724 nan 8.280 nan 0.000 0.583 486 G N -0.256 108.708 108.800 0.274 0.000 2.302 486 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.276 486 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.276 486 G C -1.649 173.399 174.900 0.247 0.000 1.316 486 G CA -1.021 44.250 45.100 0.286 0.000 0.988 486 G HN 0.636 nan 8.290 nan 0.000 0.479 487 N N 1.266 120.068 118.700 0.171 0.000 2.401 487 N HA 0.165 4.905 4.740 -0.000 0.000 0.255 487 N C 1.881 177.437 175.510 0.076 0.000 1.110 487 N CA -0.460 52.668 53.050 0.130 0.000 0.949 487 N CB 0.629 39.173 38.487 0.094 0.000 1.110 487 N HN 0.437 nan 8.380 nan 0.000 0.490 488 M N 3.356 122.996 119.600 0.067 0.000 2.267 488 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 488 M C 1.482 177.801 176.300 0.031 0.000 1.063 488 M CA 0.960 56.282 55.300 0.037 0.000 1.090 488 M CB -0.444 32.176 32.600 0.034 0.000 1.392 488 M HN 0.543 nan 8.290 nan 0.000 0.422 489 I N 0.262 120.854 120.570 0.038 0.000 2.233 489 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 489 I C 1.913 178.045 176.117 0.024 0.000 1.093 489 I CA 1.289 62.607 61.300 0.029 0.000 1.380 489 I CB -1.344 36.675 38.000 0.030 0.000 1.067 489 I HN 0.222 nan 8.210 nan 0.000 0.413 490 D N 0.787 121.204 120.400 0.028 0.000 2.117 490 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 490 D C 2.206 178.516 176.300 0.016 0.000 0.987 490 D CA 1.092 55.105 54.000 0.023 0.000 0.829 490 D CB -0.150 40.667 40.800 0.027 0.000 0.961 490 D HN 0.295 nan 8.370 nan 0.000 0.460 491 M N -0.343 119.266 119.600 0.016 0.000 2.700 491 M HA 0.043 4.523 4.480 -0.000 0.000 0.249 491 M C 1.060 177.360 176.300 0.001 0.000 1.082 491 M CA 0.791 56.093 55.300 0.004 0.000 1.077 491 M CB -0.046 32.552 32.600 -0.004 0.000 1.477 491 M HN 0.079 nan 8.290 nan 0.000 0.529 492 G N 2.043 110.847 108.800 0.007 0.000 2.176 492 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 492 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 492 G C -0.000 174.903 174.900 0.006 0.000 1.024 492 G CA -0.174 44.929 45.100 0.006 0.000 0.755 492 G HN 0.537 nan 8.290 nan 0.000 0.507 493 I N 0.795 121.369 120.570 0.007 0.000 2.388 493 I HA 0.569 4.739 4.170 -0.000 0.000 0.281 493 I C 0.138 176.263 176.117 0.014 0.000 1.046 493 I CA -0.832 60.473 61.300 0.008 0.000 1.187 493 I CB 0.593 38.596 38.000 0.005 0.000 1.351 493 I HN 0.262 nan 8.210 nan 0.000 0.472 494 L N 3.702 124.933 121.223 0.014 0.000 2.710 494 L HA 0.703 5.043 4.340 -0.000 0.000 0.260 494 L C -1.716 175.163 176.870 0.015 0.000 0.993 494 L CA -0.805 54.044 54.840 0.016 0.000 0.877 494 L CB 1.771 43.841 42.059 0.017 0.000 1.461 494 L HN 0.099 nan 8.230 nan 0.000 0.413 495 D N -0.140 120.270 120.400 0.016 0.000 2.619 495 D HA 0.517 5.157 4.640 -0.000 0.000 0.241 495 D C -2.809 173.502 176.300 0.018 0.000 1.087 495 D CA -1.257 52.753 54.000 0.017 0.000 0.851 495 D CB 2.226 43.035 40.800 0.016 0.000 1.474 495 D HN 0.352 nan 8.370 nan 0.000 0.478 496 P HA -0.009 nan 4.420 nan 0.000 0.267 496 P C 0.887 178.197 177.300 0.016 0.000 1.201 496 P CA 0.167 63.279 63.100 0.020 0.000 0.775 496 P CB 0.620 32.336 31.700 0.026 0.000 0.854 497 T N 1.057 115.619 114.554 0.013 0.000 2.777 497 T HA -0.147 4.202 4.350 -0.000 0.000 0.266 497 T C 1.641 176.344 174.700 0.006 0.000 1.040 497 T CA 1.088 63.193 62.100 0.009 0.000 1.141 497 T CB -0.386 68.485 68.868 0.006 0.000 0.868 497 T HN 0.480 nan 8.240 nan 0.000 0.444 498 K N 0.866 121.271 120.400 0.008 0.000 2.049 498 K HA -0.235 4.085 4.320 -0.000 0.000 0.219 498 K C 2.392 178.996 176.600 0.007 0.000 1.056 498 K CA 2.260 58.551 56.287 0.006 0.000 0.946 498 K CB -0.644 31.866 32.500 0.016 0.000 0.723 498 K HN 0.319 nan 8.250 nan 0.000 0.453 499 V N -0.315 119.610 119.914 0.018 0.000 2.261 499 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 499 V C 1.775 177.879 176.094 0.016 0.000 1.047 499 V CA 2.550 64.864 62.300 0.024 0.000 1.015 499 V CB -1.048 30.792 31.823 0.029 0.000 0.642 499 V HN 0.420 nan 8.190 nan 0.000 0.446 500 T N 0.133 114.693 114.554 0.011 0.000 2.946 500 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 500 T C 1.791 176.490 174.700 -0.002 0.000 1.104 500 T CA 1.958 64.063 62.100 0.008 0.000 1.114 500 T CB -0.388 68.485 68.868 0.008 0.000 0.867 500 T HN 0.694 nan 8.240 nan 0.000 0.513 501 R N 0.881 121.373 120.500 -0.012 0.000 2.046 501 R HA 0.000 4.340 4.340 -0.000 0.000 0.223 501 R C 2.628 178.892 176.300 -0.060 0.000 1.179 501 R CA 1.310 57.389 56.100 -0.035 0.000 0.952 501 R CB -0.501 29.774 30.300 -0.041 0.000 0.843 501 R HN 0.149 nan 8.270 nan 0.000 0.439 502 S N 0.943 116.600 115.700 -0.071 0.000 2.393 502 S HA -0.312 4.158 4.470 -0.000 0.000 0.235 502 S C 2.061 176.642 174.600 -0.033 0.000 1.061 502 S CA 1.821 59.948 58.200 -0.121 0.000 1.129 502 S CB -0.672 62.524 63.200 -0.007 0.000 1.011 502 S HN 0.616 nan 8.310 nan 0.000 0.436 503 A N 0.816 123.662 122.820 0.043 0.000 1.948 503 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 503 A C 2.145 179.757 177.584 0.046 0.000 1.177 503 A CA 1.860 53.941 52.037 0.074 0.000 0.636 503 A CB -0.700 18.330 19.000 0.051 0.000 0.815 503 A HN 0.440 nan 8.150 nan 0.000 0.449 504 L N -0.447 120.779 121.223 0.006 0.000 2.156 504 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 504 L C 2.413 179.276 176.870 -0.011 0.000 1.095 504 L CA 2.065 56.905 54.840 -0.000 0.000 0.770 504 L CB -0.573 41.480 42.059 -0.010 0.000 0.914 504 L HN 0.518 nan 8.230 nan 0.000 0.439 505 Q N -1.693 118.071 119.800 -0.061 0.000 1.969 505 Q HA -0.175 4.165 4.340 -0.000 0.000 0.198 505 Q C 2.200 178.187 176.000 -0.022 0.000 0.978 505 Q CA 1.713 57.458 55.803 -0.096 0.000 0.830 505 Q CB -0.491 28.111 28.738 -0.227 0.000 0.896 505 Q HN 0.420 nan 8.270 nan 0.000 0.431 506 Y N 0.979 121.281 120.300 0.003 0.000 2.193 506 Y HA -0.253 4.297 4.550 -0.000 0.000 0.285 506 Y C 2.455 178.356 175.900 0.001 0.000 1.166 506 Y CA 0.961 59.062 58.100 0.002 0.000 1.181 506 Y CB -0.982 37.479 38.460 0.002 0.000 0.976 506 Y HN 0.186 nan 8.280 nan 0.000 0.520 507 A N -0.053 122.862 122.820 0.159 0.000 1.883 507 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 507 A C 2.540 180.163 177.584 0.065 0.000 1.186 507 A CA 2.106 54.196 52.037 0.088 0.000 0.624 507 A CB -1.279 17.756 19.000 0.059 0.000 0.822 507 A HN 0.404 nan 8.150 nan 0.000 0.444 508 A N -0.651 122.201 122.820 0.053 0.000 1.883 508 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 508 A C 2.456 180.066 177.584 0.044 0.000 1.186 508 A CA 2.361 54.419 52.037 0.035 0.000 0.624 508 A CB -1.241 17.769 19.000 0.017 0.000 0.822 508 A HN 0.676 nan 8.150 nan 0.000 0.444 509 S N -0.609 115.132 115.700 0.067 0.000 2.427 509 S HA -0.223 4.247 4.470 -0.000 0.000 0.231 509 S C 1.900 176.533 174.600 0.055 0.000 1.045 509 S CA 2.363 60.607 58.200 0.074 0.000 1.154 509 S CB -0.943 62.338 63.200 0.136 0.000 1.093 509 S HN 0.403 nan 8.310 nan 0.000 0.422 510 V N 2.845 122.794 119.914 0.059 0.000 2.215 510 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 510 V C 2.922 179.030 176.094 0.024 0.000 1.054 510 V CA 2.485 64.806 62.300 0.034 0.000 1.012 510 V CB -1.701 30.139 31.823 0.028 0.000 0.639 510 V HN 0.754 nan 8.190 nan 0.000 0.448 511 A N 0.162 122.997 122.820 0.024 0.000 1.954 511 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 511 A C 2.339 179.931 177.584 0.013 0.000 1.199 511 A CA 2.733 54.780 52.037 0.016 0.000 0.657 511 A CB -1.532 17.478 19.000 0.017 0.000 0.823 511 A HN 0.684 nan 8.150 nan 0.000 0.463 512 G N -0.218 108.592 108.800 0.017 0.000 2.552 512 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 512 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 512 G C 1.517 176.423 174.900 0.010 0.000 1.240 512 G CA 1.152 46.259 45.100 0.013 0.000 0.796 512 G HN 0.495 nan 8.290 nan 0.000 0.568 513 L N -0.190 121.040 121.223 0.012 0.000 2.034 513 L HA -0.262 4.078 4.340 -0.000 0.000 0.217 513 L C 3.145 180.017 176.870 0.003 0.000 1.077 513 L CA 1.870 56.715 54.840 0.009 0.000 0.769 513 L CB -0.572 41.493 42.059 0.011 0.000 0.890 513 L HN 0.269 nan 8.230 nan 0.000 0.435 514 M N -0.602 119.000 119.600 0.003 0.000 2.213 514 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 514 M C 2.165 178.462 176.300 -0.004 0.000 1.062 514 M CA 1.703 57.002 55.300 -0.003 0.000 1.105 514 M CB -0.296 32.303 32.600 -0.002 0.000 1.385 514 M HN 0.232 nan 8.290 nan 0.000 0.417 515 I N -0.470 120.100 120.570 -0.000 0.000 3.001 515 I HA -0.119 4.051 4.170 -0.000 0.000 0.268 515 I C 1.234 177.349 176.117 -0.003 0.000 1.267 515 I CA 0.867 62.166 61.300 -0.001 0.000 1.472 515 I CB -0.509 37.492 38.000 0.001 0.000 1.089 515 I HN 0.307 nan 8.210 nan 0.000 0.468 516 T N -2.561 111.991 114.554 -0.002 0.000 3.313 516 T HA 0.284 4.634 4.350 -0.000 0.000 0.263 516 T C 0.203 174.900 174.700 -0.004 0.000 0.983 516 T CA -0.397 61.701 62.100 -0.003 0.000 0.963 516 T CB -0.199 68.668 68.868 -0.002 0.000 1.141 516 T HN -0.109 nan 8.240 nan 0.000 0.526 517 T N 1.458 116.009 114.554 -0.005 0.000 2.824 517 T HA 0.461 4.811 4.350 -0.000 0.000 0.282 517 T C 0.257 174.957 174.700 -0.000 0.000 0.993 517 T CA -0.641 61.456 62.100 -0.005 0.000 0.967 517 T CB 2.141 71.002 68.868 -0.012 0.000 0.960 517 T HN 0.088 nan 8.240 nan 0.000 0.441 518 E N 0.345 120.552 120.200 0.011 0.000 2.541 518 E HA 0.190 4.540 4.350 -0.000 0.000 0.219 518 E C -0.050 176.626 176.600 0.127 0.000 0.922 518 E CA 0.107 56.526 56.400 0.032 0.000 1.095 518 E CB 0.937 30.627 29.700 -0.015 0.000 1.112 518 E HN 0.547 nan 8.360 nan 0.000 0.516 519 C N 1.015 120.388 119.300 0.122 0.000 2.686 519 C HA 0.688 5.148 4.460 -0.000 0.000 0.318 519 C C -1.271 173.746 174.990 0.045 0.000 1.160 519 C CA -0.562 58.598 59.018 0.235 0.000 1.396 519 C CB 0.325 28.284 27.740 0.364 0.000 1.924 519 C HN 0.112 nan 8.230 nan 0.000 0.471 520 M N 5.313 124.863 119.600 -0.084 0.000 2.395 520 M HA 0.549 5.029 4.480 -0.000 0.000 0.307 520 M C -1.168 175.071 176.300 -0.102 0.000 1.091 520 M CA -0.626 54.569 55.300 -0.175 0.000 0.919 520 M CB 2.146 34.464 32.600 -0.470 0.000 1.662 520 M HN 0.347 nan 8.290 nan 0.000 0.440 521 V N 1.736 121.668 119.914 0.029 0.000 2.357 521 V HA 0.486 4.606 4.120 -0.000 0.000 0.281 521 V C -0.352 175.828 176.094 0.144 0.000 1.015 521 V CA -0.300 62.057 62.300 0.095 0.000 0.827 521 V CB 1.692 33.555 31.823 0.067 0.000 1.018 521 V HN 0.969 nan 8.190 nan 0.000 0.432 522 T N 2.413 117.097 114.554 0.218 0.000 2.907 522 T HA 0.484 4.834 4.350 -0.000 0.000 0.290 522 T C -0.461 174.259 174.700 0.033 0.000 1.066 522 T CA -0.474 61.704 62.100 0.130 0.000 1.012 522 T CB 1.756 70.717 68.868 0.154 0.000 1.184 522 T HN 0.627 nan 8.240 nan 0.000 0.522 523 D N 0.951 121.348 120.400 -0.005 0.000 2.354 523 D HA 0.296 4.936 4.640 -0.000 0.000 0.238 523 D C -0.275 175.981 176.300 -0.073 0.000 1.250 523 D CA -0.046 53.936 54.000 -0.030 0.000 0.911 523 D CB 0.266 41.049 40.800 -0.028 0.000 1.163 523 D HN 0.178 nan 8.370 nan 0.000 0.456 524 L N 2.252 123.436 121.223 -0.064 0.000 2.350 524 L HA 0.281 4.621 4.340 -0.000 0.000 0.275 524 L C -1.769 175.046 176.870 -0.091 0.000 1.099 524 L CA -1.937 52.852 54.840 -0.084 0.000 0.808 524 L CB 0.829 42.854 42.059 -0.056 0.000 1.149 524 L HN 0.313 nan 8.230 nan 0.000 0.442 525 P HA -0.067 nan 4.420 nan 0.000 0.314 525 P C -0.829 176.430 177.300 -0.069 0.000 1.521 525 P CA 0.772 63.811 63.100 -0.102 0.000 0.754 525 P CB -0.220 31.410 31.700 -0.116 0.000 1.692 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543