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 2zci_1_B DATA FIRST_RESID 13 DATA SEQUENCE APTKNKELLN WIADAVELFQ PEAVVFVDGS QAEWDRMAED LVEAGTLIKL DATA SEQUENCE NEEKRPNSYL ARSNPSDVAR VESRTFICSE KEEDAGPTNN WAPPQAMKDE DATA SEQUENCE MSKHYAGSMK GRTMYVVPFC MGPISDPDPK LGVQLTDSEY VVMSMRIMTR DATA SEQUENCE MGIEALDKIG ANGSFVRCLH SVGAPLEPGQ EDVAWPCNDT KYITQFPETK DATA SEQUENCE EIWSYGSGYG GNAILAKKCY ALRIASVMAR EEGWMAEHML ILKLINPEGK DATA SEQUENCE AYHIAAAFPS ACGKTNLAMI TPTIPGWTAQ VVGDDIAWLK LREDGLYAVN DATA SEQUENCE PENGFFGVAP GTNYASNPIA MKTMEPGNTL FTNVALTDDG DIWWEGMDGD DATA SEQUENCE APAHLIDWMG NDWTPESDEN AAHPNSRYCV AIDQSPAAAP EFNDWEGVKI DATA SEQUENCE DAILFGGRRA DTVPLVTQTY DWEHGTMVGA LLASGXXXXX XXXXXGTLRH DATA SEQUENCE DPMAMLPFIG YNAGEYLQNW IDMGNKGGDK MPSIFLVNWF RRGEDGRFLW DATA SEQUENCE PGFGDNSRVL KWVIDRIEGH VGADETVVGH TAKAEDLDLD GLDTPIEDVK DATA SEQUENCE EALTAPAEQW ANDVEDNAEY LTFLGPRVPA EVHSQFDALK ARIS 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 13 A HA 0.000 nan 4.320 nan 0.000 0.244 13 A C 0.000 177.325 177.584 -0.431 0.000 1.274 13 A CA 0.000 51.798 52.037 -0.398 0.000 0.836 13 A CB 0.000 18.851 19.000 -0.249 0.000 0.831 14 P HA 0.153 nan 4.420 nan 0.000 0.249 14 P C 0.366 177.515 177.300 -0.252 0.000 1.241 14 P CA 0.897 63.770 63.100 -0.378 0.000 0.781 14 P CB 0.345 31.835 31.700 -0.350 0.000 1.088 15 T N -0.833 113.567 114.554 -0.258 0.000 2.864 15 T HA 0.468 4.821 4.350 0.005 0.000 0.299 15 T C -0.039 174.611 174.700 -0.083 0.000 1.166 15 T CA -0.536 61.489 62.100 -0.125 0.000 1.007 15 T CB 1.793 70.622 68.868 -0.065 0.000 1.219 15 T HN -0.238 nan 8.240 nan 0.000 0.506 16 K N 0.835 121.212 120.400 -0.039 0.000 2.481 16 K HA 0.270 4.593 4.320 0.005 0.000 0.210 16 K C 0.512 177.122 176.600 0.016 0.000 1.161 16 K CA -0.389 55.891 56.287 -0.013 0.000 1.023 16 K CB 0.337 32.826 32.500 -0.018 0.000 0.971 16 K HN 0.459 nan 8.250 nan 0.000 0.577 17 N N 2.881 121.592 118.700 0.019 0.000 2.106 17 N HA -0.149 4.594 4.740 0.005 0.000 0.284 17 N C 0.283 175.846 175.510 0.089 0.000 1.388 17 N CA 0.715 53.794 53.050 0.050 0.000 0.944 17 N CB 0.403 38.911 38.487 0.035 0.000 1.333 17 N HN 0.192 nan 8.380 nan 0.000 0.489 18 K N 2.728 123.180 120.400 0.086 0.000 2.032 18 K HA -0.211 4.112 4.320 0.005 0.000 0.209 18 K C 1.488 178.175 176.600 0.144 0.000 1.048 18 K CA 1.454 57.799 56.287 0.097 0.000 0.927 18 K CB 0.026 32.569 32.500 0.071 0.000 0.712 18 K HN 0.465 nan 8.250 nan 0.000 0.441 19 E N 0.987 121.284 120.200 0.161 0.000 2.085 19 E HA -0.163 4.190 4.350 0.005 0.000 0.194 19 E C 1.781 178.601 176.600 0.367 0.000 0.994 19 E CA 0.882 57.412 56.400 0.216 0.000 0.801 19 E CB -0.095 29.709 29.700 0.174 0.000 0.743 19 E HN 0.198 nan 8.360 nan 0.000 0.453 20 L N -0.220 121.227 121.223 0.373 0.000 1.989 20 L HA -0.230 4.113 4.340 0.005 0.000 0.211 20 L C 2.002 179.116 176.870 0.407 0.000 1.071 20 L CA 1.385 56.458 54.840 0.389 0.000 0.749 20 L CB -0.184 41.899 42.059 0.039 0.000 0.890 20 L HN 0.230 nan 8.230 nan 0.000 0.431 21 L N -0.595 120.786 121.223 0.263 0.000 2.109 21 L HA -0.155 4.188 4.340 0.005 0.000 0.207 21 L C 2.284 179.268 176.870 0.191 0.000 1.086 21 L CA 1.025 55.992 54.840 0.212 0.000 0.760 21 L CB -1.189 40.963 42.059 0.154 0.000 0.910 21 L HN 0.218 nan 8.230 nan 0.000 0.437 22 N N -0.248 118.572 118.700 0.199 0.000 2.036 22 N HA -0.274 4.469 4.740 0.005 0.000 0.195 22 N C 1.553 177.196 175.510 0.221 0.000 1.037 22 N CA 1.715 54.871 53.050 0.177 0.000 0.855 22 N CB -0.709 37.880 38.487 0.169 0.000 1.033 22 N HN 0.459 nan 8.380 nan 0.000 0.423 23 W N 2.163 123.536 121.300 0.122 0.000 2.302 23 W HA -0.156 4.507 4.660 0.005 0.000 0.320 23 W C 2.118 178.697 176.519 0.099 0.000 1.241 23 W CA 1.303 58.730 57.345 0.138 0.000 1.264 23 W CB -0.562 29.045 29.460 0.245 0.000 1.154 23 W HN 0.087 nan 8.180 nan 0.000 0.483 24 I N 0.784 121.363 120.570 0.014 0.000 2.500 24 I HA -0.042 4.131 4.170 0.005 0.000 0.252 24 I C 2.037 178.078 176.117 -0.128 0.000 1.142 24 I CA 1.987 63.154 61.300 -0.222 0.000 1.451 24 I CB -1.406 36.464 38.000 -0.217 0.000 1.093 24 I HN 0.075 nan 8.210 nan 0.000 0.430 25 A N 1.044 123.852 122.820 -0.019 0.000 1.845 25 A HA -0.220 4.103 4.320 0.005 0.000 0.215 25 A C 1.929 179.496 177.584 -0.029 0.000 1.195 25 A CA 1.978 54.010 52.037 -0.010 0.000 0.616 25 A CB -0.943 18.075 19.000 0.031 0.000 0.832 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 D N 0.175 120.572 120.400 -0.005 0.000 2.154 26 D HA -0.198 4.445 4.640 0.005 0.000 0.190 26 D C 2.194 178.441 176.300 -0.089 0.000 1.003 26 D CA 1.970 55.958 54.000 -0.019 0.000 0.849 26 D CB -0.573 40.253 40.800 0.043 0.000 0.942 26 D HN 0.447 nan 8.370 nan 0.000 0.446 27 A N 0.510 123.225 122.820 -0.175 0.000 1.873 27 A HA -0.128 4.195 4.320 0.005 0.000 0.215 27 A C 2.607 180.191 177.584 0.000 0.000 1.186 27 A CA 1.389 53.345 52.037 -0.135 0.000 0.616 27 A CB -0.852 17.977 19.000 -0.284 0.000 0.823 27 A HN 0.146 nan 8.150 nan 0.000 0.442 28 V N 0.029 119.899 119.914 -0.073 0.000 2.278 28 V HA -0.349 3.774 4.120 0.005 0.000 0.251 28 V C 2.477 178.554 176.094 -0.029 0.000 1.062 28 V CA 2.628 64.897 62.300 -0.051 0.000 1.038 28 V CB -0.901 30.876 31.823 -0.077 0.000 0.646 28 V HN 0.654 nan 8.190 nan 0.000 0.447 29 E N 0.194 120.367 120.200 -0.045 0.000 2.072 29 E HA -0.259 4.094 4.350 0.005 0.000 0.218 29 E C 2.063 178.617 176.600 -0.077 0.000 1.051 29 E CA 2.538 58.907 56.400 -0.052 0.000 0.880 29 E CB -0.487 29.183 29.700 -0.051 0.000 0.783 29 E HN 0.583 nan 8.360 nan 0.000 0.473 30 L N -1.564 119.573 121.223 -0.142 0.000 2.044 30 L HA -0.005 4.338 4.340 0.005 0.000 0.205 30 L C 2.388 179.119 176.870 -0.231 0.000 1.075 30 L CA 1.703 56.403 54.840 -0.233 0.000 0.747 30 L CB -1.618 40.238 42.059 -0.338 0.000 0.903 30 L HN 0.080 nan 8.230 nan 0.000 0.435 31 F N 1.070 120.921 119.950 -0.165 0.000 2.293 31 F HA -0.003 4.527 4.527 0.005 0.000 0.300 31 F C 1.058 176.788 175.800 -0.116 0.000 1.086 31 F CA 0.332 58.236 58.000 -0.160 0.000 1.375 31 F CB -0.436 38.414 39.000 -0.249 0.000 1.045 31 F HN 0.249 nan 8.300 nan 0.000 0.516 32 Q N 0.403 120.242 119.800 0.065 0.000 2.448 32 Q HA -0.184 4.159 4.340 0.005 0.000 0.356 32 Q C -2.500 173.499 176.000 -0.001 0.000 1.430 32 Q CA -0.333 55.477 55.803 0.011 0.000 1.011 32 Q CB -1.748 26.989 28.738 -0.003 0.000 1.203 32 Q HN 0.207 nan 8.270 nan 0.000 0.351 33 P HA 0.025 nan 4.420 nan 0.000 0.277 33 P C 0.622 177.873 177.300 -0.081 0.000 1.240 33 P CA -0.126 62.924 63.100 -0.084 0.000 0.798 33 P CB 0.740 32.342 31.700 -0.164 0.000 0.979 34 E N 0.460 120.611 120.200 -0.082 0.000 2.153 34 E HA -0.030 4.323 4.350 0.005 0.000 0.194 34 E C 0.794 177.340 176.600 -0.089 0.000 0.988 34 E CA 1.221 57.578 56.400 -0.072 0.000 0.811 34 E CB -0.161 29.505 29.700 -0.057 0.000 0.746 34 E HN 0.600 nan 8.360 nan 0.000 0.466 35 A N -0.535 122.204 122.820 -0.135 0.000 2.610 35 A HA 0.550 4.873 4.320 0.005 0.000 0.291 35 A C -1.363 176.091 177.584 -0.218 0.000 1.086 35 A CA -0.598 51.351 52.037 -0.147 0.000 0.677 35 A CB 1.867 20.783 19.000 -0.140 0.000 1.278 35 A HN -0.081 nan 8.150 nan 0.000 0.414 36 V N 1.124 120.925 119.914 -0.187 0.000 2.409 36 V HA 0.505 4.629 4.120 0.005 0.000 0.290 36 V C -0.975 175.008 176.094 -0.184 0.000 1.017 36 V CA -0.368 61.794 62.300 -0.230 0.000 0.841 36 V CB 1.367 33.087 31.823 -0.173 0.000 1.003 36 V HN 0.710 nan 8.190 nan 0.000 0.426 37 V N 6.178 125.917 119.914 -0.292 0.000 2.349 37 V HA 0.467 4.590 4.120 0.005 0.000 0.284 37 V C -0.283 175.769 176.094 -0.070 0.000 1.014 37 V CA -0.626 61.600 62.300 -0.123 0.000 0.826 37 V CB 1.417 33.122 31.823 -0.196 0.000 1.009 37 V HN 0.653 nan 8.190 nan 0.000 0.431 38 F N 3.794 123.751 119.950 0.013 0.000 2.518 38 F HA 0.274 4.804 4.527 0.005 0.000 0.359 38 F C 0.540 176.391 175.800 0.086 0.000 1.118 38 F CA 0.327 58.353 58.000 0.045 0.000 1.287 38 F CB 0.768 39.779 39.000 0.020 0.000 1.132 38 F HN 0.158 nan 8.300 nan 0.000 0.587 39 V N 2.970 123.029 119.914 0.242 0.000 2.513 39 V HA 0.170 4.293 4.120 0.005 0.000 0.299 39 V C 0.011 176.198 176.094 0.155 0.000 1.035 39 V CA -0.476 61.931 62.300 0.178 0.000 0.889 39 V CB 1.851 33.755 31.823 0.135 0.000 0.988 39 V HN 0.851 nan 8.190 nan 0.000 0.440 40 D N 1.895 122.365 120.400 0.117 0.000 2.392 40 D HA 0.237 4.880 4.640 0.005 0.000 0.206 40 D C 1.348 177.692 176.300 0.073 0.000 1.046 40 D CA 0.767 54.821 54.000 0.089 0.000 0.865 40 D CB 0.445 41.286 40.800 0.069 0.000 0.969 40 D HN 0.913 nan 8.370 nan 0.000 0.509 41 G N 0.498 109.345 108.800 0.079 0.000 2.159 41 G HA2 -0.305 3.658 3.960 0.005 0.000 0.256 41 G HA3 -0.305 3.658 3.960 0.005 0.000 0.256 41 G C 0.461 175.396 174.900 0.059 0.000 0.977 41 G CA 0.437 45.579 45.100 0.070 0.000 0.652 41 G HN 0.872 nan 8.290 nan 0.000 0.531 42 S N -0.623 115.116 115.700 0.065 0.000 2.593 42 S HA 0.467 4.940 4.470 0.005 0.000 0.269 42 S C 1.308 175.956 174.600 0.079 0.000 1.334 42 S CA 0.799 59.032 58.200 0.054 0.000 1.015 42 S CB 1.719 64.949 63.200 0.050 0.000 0.912 42 S HN 0.330 nan 8.310 nan 0.000 0.541 43 Q N 1.879 121.709 119.800 0.051 0.000 2.112 43 Q HA -0.078 4.265 4.340 0.005 0.000 0.206 43 Q C 2.309 178.391 176.000 0.136 0.000 0.987 43 Q CA 2.529 58.377 55.803 0.075 0.000 0.858 43 Q CB -1.190 27.565 28.738 0.029 0.000 0.905 43 Q HN 0.962 nan 8.270 nan 0.000 0.420 44 A N 0.225 123.104 122.820 0.098 0.000 1.898 44 A HA -0.214 4.109 4.320 0.005 0.000 0.216 44 A C 2.025 179.669 177.584 0.100 0.000 1.181 44 A CA 1.682 53.775 52.037 0.093 0.000 0.620 44 A CB -0.741 18.297 19.000 0.064 0.000 0.819 44 A HN 0.599 nan 8.150 nan 0.000 0.442 45 E N -1.690 118.570 120.200 0.100 0.000 2.077 45 E HA -0.259 4.095 4.350 0.005 0.000 0.193 45 E C 1.850 178.513 176.600 0.105 0.000 0.989 45 E CA 1.421 57.873 56.400 0.087 0.000 0.800 45 E CB -0.292 29.457 29.700 0.081 0.000 0.746 45 E HN 0.779 nan 8.360 nan 0.000 0.452 46 W N 1.731 123.007 121.300 -0.040 0.000 2.418 46 W HA -0.117 4.546 4.660 0.005 0.000 0.292 46 W C 1.653 178.132 176.519 -0.066 0.000 1.213 46 W CA 1.522 58.828 57.345 -0.066 0.000 1.283 46 W CB 0.078 29.507 29.460 -0.052 0.000 1.119 46 W HN 0.127 nan 8.180 nan 0.000 0.542 47 D N -0.094 120.498 120.400 0.319 0.000 2.097 47 D HA -0.220 4.423 4.640 0.005 0.000 0.195 47 D C 2.019 178.325 176.300 0.010 0.000 0.989 47 D CA 1.621 55.744 54.000 0.204 0.000 0.827 47 D CB -0.530 40.392 40.800 0.203 0.000 0.966 47 D HN 0.081 nan 8.370 nan 0.000 0.456 48 R N 0.461 120.965 120.500 0.007 0.000 2.115 48 R HA 0.034 4.377 4.340 0.005 0.000 0.230 48 R C 2.188 178.420 176.300 -0.114 0.000 1.111 48 R CA 0.978 57.059 56.100 -0.031 0.000 0.976 48 R CB -0.365 29.937 30.300 0.003 0.000 0.870 48 R HN 0.146 nan 8.270 nan 0.000 0.445 49 M N -0.427 119.060 119.600 -0.189 0.000 2.159 49 M HA -0.047 4.436 4.480 0.005 0.000 0.263 49 M C 2.223 178.300 176.300 -0.372 0.000 1.063 49 M CA 1.768 56.901 55.300 -0.277 0.000 1.110 49 M CB -0.306 32.074 32.600 -0.368 0.000 1.374 49 M HN 0.334 nan 8.290 nan 0.000 0.411 50 A N 0.663 123.164 122.820 -0.531 0.000 1.930 50 A HA -0.096 4.227 4.320 0.005 0.000 0.217 50 A C 2.164 179.509 177.584 -0.398 0.000 1.175 50 A CA 2.030 53.642 52.037 -0.708 0.000 0.627 50 A CB -1.090 17.185 19.000 -1.207 0.000 0.815 50 A HN 0.511 nan 8.150 nan 0.000 0.443 51 E N 0.873 120.951 120.200 -0.203 0.000 2.021 51 E HA -0.323 4.030 4.350 0.005 0.000 0.200 51 E C 1.578 178.136 176.600 -0.069 0.000 1.015 51 E CA 1.802 58.161 56.400 -0.068 0.000 0.824 51 E CB -1.270 nan 29.700 nan 0.000 0.762 51 E HN 0.633 nan 8.360 nan 0.000 0.454 52 D N 0.327 120.678 120.400 -0.082 0.000 2.191 52 D HA -0.151 4.492 4.640 0.005 0.000 0.195 52 D C 1.990 178.253 176.300 -0.061 0.000 1.003 52 D CA 1.282 55.246 54.000 -0.060 0.000 0.867 52 D CB -0.242 40.519 40.800 -0.067 0.000 0.926 52 D HN 0.430 nan 8.370 nan 0.000 0.450 53 L N -0.101 121.054 121.223 -0.113 0.000 2.162 53 L HA -0.010 4.333 4.340 0.005 0.000 0.205 53 L C 2.403 179.252 176.870 -0.035 0.000 1.086 53 L CA 0.320 55.105 54.840 -0.093 0.000 0.778 53 L CB -0.105 41.857 42.059 -0.161 0.000 0.928 53 L HN -0.051 nan 8.230 nan 0.000 0.446 54 V N -0.331 119.564 119.914 -0.032 0.000 2.970 54 V HA -0.200 3.923 4.120 0.005 0.000 0.260 54 V C 2.181 178.304 176.094 0.049 0.000 1.100 54 V CA 1.430 63.761 62.300 0.052 0.000 1.122 54 V CB 0.185 32.076 31.823 0.113 0.000 0.721 54 V HN 0.374 nan 8.190 nan 0.000 0.483 55 E N 0.142 120.355 120.200 0.022 0.000 2.042 55 E HA 0.101 4.454 4.350 0.005 0.000 0.189 55 E C 2.004 178.619 176.600 0.025 0.000 0.974 55 E CA 1.264 57.678 56.400 0.023 0.000 0.806 55 E CB -0.382 29.324 29.700 0.009 0.000 0.769 55 E HN 0.641 nan 8.360 nan 0.000 0.451 56 A N -0.592 122.238 122.820 0.018 0.000 2.213 56 A HA 0.236 4.559 4.320 0.005 0.000 0.192 56 A C 1.651 179.258 177.584 0.038 0.000 1.296 56 A CA 1.675 53.726 52.037 0.024 0.000 0.703 56 A CB -0.952 18.058 19.000 0.016 0.000 0.941 56 A HN 0.422 nan 8.150 nan 0.000 0.517 57 G N -3.180 105.649 108.800 0.049 0.000 4.731 57 G HA2 0.189 4.152 3.960 0.005 0.000 0.219 57 G HA3 0.189 4.152 3.960 0.005 0.000 0.219 57 G C 0.680 175.633 174.900 0.088 0.000 0.668 57 G CA 1.225 46.366 45.100 0.068 0.000 0.964 57 G HN 1.086 nan 8.290 nan 0.000 0.679 58 T N -0.965 113.637 114.554 0.080 0.000 2.904 58 T HA 0.296 4.649 4.350 0.005 0.000 0.267 58 T C 1.013 175.802 174.700 0.148 0.000 1.059 58 T CA 0.516 62.678 62.100 0.104 0.000 1.137 58 T CB 0.213 69.113 68.868 0.053 0.000 0.879 58 T HN 0.160 nan 8.240 nan 0.000 0.467 59 L N 0.756 122.058 121.223 0.131 0.000 2.334 59 L HA 0.593 4.936 4.340 0.005 0.000 0.276 59 L C -0.886 176.108 176.870 0.207 0.000 1.014 59 L CA -1.420 53.534 54.840 0.189 0.000 0.815 59 L CB 2.034 44.166 42.059 0.122 0.000 1.268 59 L HN 0.096 nan 8.230 nan 0.000 0.428 60 I N 2.942 123.662 120.570 0.251 0.000 2.331 60 I HA 0.193 4.366 4.170 0.005 0.000 0.292 60 I C 0.330 176.616 176.117 0.281 0.000 0.998 60 I CA -0.026 61.407 61.300 0.222 0.000 1.267 60 I CB 1.193 39.297 38.000 0.173 0.000 1.386 60 I HN 0.381 nan 8.210 nan 0.000 0.476 61 K N 5.145 125.694 120.400 0.248 0.000 2.298 61 K HA 0.335 4.658 4.320 0.005 0.000 0.280 61 K C -0.909 175.725 176.600 0.058 0.000 1.032 61 K CA -0.617 55.776 56.287 0.177 0.000 0.958 61 K CB 0.596 33.207 32.500 0.185 0.000 0.978 61 K HN 0.308 nan 8.250 nan 0.000 0.472 62 L N 3.588 124.779 121.223 -0.053 0.000 2.334 62 L HA 0.154 4.497 4.340 0.005 0.000 0.277 62 L C 0.238 177.097 176.870 -0.019 0.000 1.075 62 L CA -0.106 54.725 54.840 -0.014 0.000 0.804 62 L CB 0.897 42.958 42.059 0.003 0.000 1.174 62 L HN 0.670 nan 8.230 nan 0.000 0.438 63 N N 1.582 120.287 118.700 0.008 0.000 2.090 63 N HA -0.195 4.548 4.740 0.005 0.000 0.287 63 N C 1.011 176.526 175.510 0.007 0.000 1.383 63 N CA 0.271 53.328 53.050 0.012 0.000 0.899 63 N CB 0.364 38.859 38.487 0.013 0.000 1.251 63 N HN 0.638 nan 8.380 nan 0.000 0.492 64 E N 2.714 122.920 120.200 0.011 0.000 2.338 64 E HA -0.231 4.122 4.350 0.005 0.000 0.197 64 E C 1.426 178.038 176.600 0.020 0.000 1.007 64 E CA 1.095 57.503 56.400 0.013 0.000 0.849 64 E CB 0.153 29.868 29.700 0.025 0.000 0.774 64 E HN 0.791 nan 8.360 nan 0.000 0.506 65 E N 0.013 120.224 120.200 0.019 0.000 2.152 65 E HA -0.151 4.202 4.350 0.005 0.000 0.192 65 E C 1.397 178.007 176.600 0.017 0.000 0.983 65 E CA 1.119 57.530 56.400 0.018 0.000 0.818 65 E CB 0.183 29.892 29.700 0.015 0.000 0.758 65 E HN 0.025 nan 8.360 nan 0.000 0.467 66 K N 0.026 120.437 120.400 0.017 0.000 2.161 66 K HA 0.170 4.493 4.320 0.005 0.000 0.205 66 K C 0.381 177.002 176.600 0.035 0.000 1.035 66 K CA 0.526 56.825 56.287 0.019 0.000 0.970 66 K CB 0.376 32.882 32.500 0.009 0.000 0.866 66 K HN 0.053 nan 8.250 nan 0.000 0.461 67 R N 2.076 122.601 120.500 0.042 0.000 2.443 67 R HA 0.359 4.702 4.340 0.005 0.000 0.287 67 R C -2.816 173.510 176.300 0.043 0.000 1.425 67 R CA -1.843 54.303 56.100 0.076 0.000 1.300 67 R CB 0.996 31.386 30.300 0.149 0.000 1.129 67 R HN -0.049 nan 8.270 nan 0.000 0.577 68 P HA -0.006 nan 4.420 nan 0.000 0.268 68 P C 0.080 177.393 177.300 0.021 0.000 1.204 68 P CA 0.163 63.279 63.100 0.027 0.000 0.768 68 P CB 0.446 32.169 31.700 0.037 0.000 0.842 69 N N 0.535 119.229 118.700 -0.009 0.000 2.754 69 N HA -0.163 4.581 4.740 0.005 0.000 0.248 69 N C -1.243 174.235 175.510 -0.054 0.000 1.093 69 N CA 0.870 53.946 53.050 0.042 0.000 0.699 69 N CB -1.405 37.196 38.487 0.191 0.000 1.016 69 N HN 0.237 nan 8.380 nan 0.000 0.552 70 S N 0.547 116.027 115.700 -0.367 0.000 2.521 70 S HA 0.652 5.125 4.470 0.005 0.000 0.295 70 S C -1.112 173.110 174.600 -0.631 0.000 1.098 70 S CA -0.531 57.540 58.200 -0.215 0.000 0.999 70 S CB 1.033 64.322 63.200 0.149 0.000 1.034 70 S HN 0.284 nan 8.310 nan 0.000 0.483 71 Y N 1.277 121.773 120.300 0.327 0.000 2.485 71 Y HA 0.701 5.254 4.550 0.005 0.000 0.345 71 Y C -0.361 175.778 175.900 0.399 0.000 0.998 71 Y CA -1.247 57.024 58.100 0.284 0.000 1.059 71 Y CB 0.949 39.507 38.460 0.163 0.000 1.234 71 Y HN 0.489 nan 8.280 nan 0.000 0.461 72 L N 2.465 123.965 121.223 0.462 0.000 2.307 72 L HA 0.928 5.271 4.340 0.005 0.000 0.284 72 L C -0.652 176.449 176.870 0.386 0.000 1.023 72 L CA -0.678 54.418 54.840 0.427 0.000 0.810 72 L CB 0.943 43.178 42.059 0.294 0.000 1.231 72 L HN 0.736 nan 8.230 nan 0.000 0.423 73 A N 5.609 128.678 122.820 0.415 0.000 2.337 73 A HA 0.873 5.196 4.320 0.005 0.000 0.329 73 A C -0.607 177.139 177.584 0.270 0.000 1.146 73 A CA -0.744 51.518 52.037 0.376 0.000 0.800 73 A CB 0.927 20.223 19.000 0.493 0.000 1.220 73 A HN 0.751 nan 8.150 nan 0.000 0.472 74 R N 1.155 121.776 120.500 0.202 0.000 2.534 74 R HA 0.555 4.899 4.340 0.005 0.000 0.301 74 R C -0.631 175.586 176.300 -0.138 0.000 0.961 74 R CA -0.349 55.805 56.100 0.090 0.000 0.871 74 R CB 2.126 32.503 30.300 0.128 0.000 1.170 74 R HN 0.875 nan 8.270 nan 0.000 0.446 75 S N 1.488 116.888 115.700 -0.499 0.000 2.593 75 S HA 0.225 4.698 4.470 0.005 0.000 0.297 75 S C 0.045 174.292 174.600 -0.589 0.000 1.112 75 S CA -0.964 56.474 58.200 -1.269 0.000 1.043 75 S CB 1.379 63.196 63.200 -2.304 0.000 1.054 75 S HN 0.678 nan 8.310 nan 0.000 0.516 76 N N 2.683 121.077 118.700 -0.510 0.000 2.036 76 N HA -0.045 4.698 4.740 0.005 0.000 0.288 76 N C -1.378 174.042 175.510 -0.150 0.000 1.293 76 N CA -0.773 52.176 53.050 -0.169 0.000 0.808 76 N CB 0.598 39.081 38.487 -0.007 0.000 1.040 76 N HN 0.513 nan 8.380 nan 0.000 0.489 77 P HA -0.118 nan 4.420 nan 0.000 0.226 77 P C 0.535 177.825 177.300 -0.016 0.000 1.146 77 P CA 1.041 64.220 63.100 0.131 0.000 0.773 77 P CB 0.070 31.884 31.700 0.191 0.000 0.772 78 S N -2.022 113.658 115.700 -0.034 0.000 2.582 78 S HA 0.169 4.643 4.470 0.005 0.000 0.234 78 S C 0.350 174.925 174.600 -0.042 0.000 0.961 78 S CA -0.323 57.861 58.200 -0.026 0.000 0.953 78 S CB -0.516 62.691 63.200 0.011 0.000 0.800 78 S HN -0.135 nan 8.310 nan 0.000 0.471 79 D N 0.905 121.229 120.400 -0.126 0.000 3.118 79 D HA 0.209 4.852 4.640 0.005 0.000 0.286 79 D C 0.568 176.610 176.300 -0.430 0.000 1.255 79 D CA -0.130 53.812 54.000 -0.097 0.000 0.748 79 D CB 0.885 41.794 40.800 0.181 0.000 1.332 79 D HN 0.163 nan 8.370 nan 0.000 0.575 80 V N -1.844 117.681 119.914 -0.648 0.000 3.604 80 V HA 0.825 4.948 4.120 0.005 0.000 0.277 80 V C 0.770 176.094 176.094 -1.284 0.000 1.399 80 V CA 0.459 62.034 62.300 -1.209 0.000 1.034 80 V CB 0.259 31.355 31.823 -1.212 0.000 0.824 80 V HN 0.314 nan 8.190 nan 0.000 0.439 81 A N 0.361 122.807 122.820 -0.624 0.000 2.569 81 A HA 0.709 5.032 4.320 0.005 0.000 0.290 81 A C -0.080 177.564 177.584 0.100 0.000 1.136 81 A CA -0.982 50.954 52.037 -0.167 0.000 0.710 81 A CB 1.205 20.170 19.000 -0.059 0.000 1.303 81 A HN 0.327 nan 8.150 nan 0.000 0.413 82 R N 0.103 120.739 120.500 0.227 0.000 2.505 82 R HA 0.117 4.460 4.340 0.005 0.000 0.274 82 R C -0.913 175.450 176.300 0.106 0.000 0.955 82 R CA 0.725 56.943 56.100 0.197 0.000 1.109 82 R CB -0.139 30.282 30.300 0.201 0.000 0.890 82 R HN 0.552 nan 8.270 nan 0.000 0.415 83 V N 4.779 124.749 119.914 0.094 0.000 2.240 83 V HA 0.124 4.247 4.120 0.005 0.000 0.265 83 V C 0.463 176.561 176.094 0.007 0.000 1.073 83 V CA -0.540 61.786 62.300 0.043 0.000 0.857 83 V CB 0.859 32.707 31.823 0.042 0.000 1.114 83 V HN 0.829 nan 8.190 nan 0.000 0.469 84 E N 1.960 122.147 120.200 -0.021 0.000 2.209 84 E HA -0.185 4.168 4.350 0.005 0.000 0.196 84 E C 2.259 178.783 176.600 -0.128 0.000 0.993 84 E CA 1.506 57.864 56.400 -0.072 0.000 0.819 84 E CB -0.097 29.558 29.700 -0.075 0.000 0.745 84 E HN 0.873 nan 8.360 nan 0.000 0.477 85 S N -0.045 115.593 115.700 -0.102 0.000 2.453 85 S HA -0.008 4.465 4.470 0.005 0.000 0.231 85 S C 1.544 176.017 174.600 -0.211 0.000 1.005 85 S CA 0.391 58.514 58.200 -0.127 0.000 0.949 85 S CB 0.162 63.331 63.200 -0.051 0.000 0.774 85 S HN 0.009 nan 8.310 nan 0.000 0.510 86 R N 1.624 122.035 120.500 -0.149 0.000 2.552 86 R HA 0.320 4.663 4.340 0.005 0.000 0.314 86 R C -0.537 175.691 176.300 -0.119 0.000 1.041 86 R CA 0.049 56.094 56.100 -0.091 0.000 1.076 86 R CB -0.108 30.280 30.300 0.146 0.000 1.290 86 R HN 0.325 nan 8.270 nan 0.000 0.563 87 T N 1.265 115.642 114.554 -0.295 0.000 2.767 87 T HA 0.522 4.875 4.350 0.005 0.000 0.284 87 T C -0.456 174.046 174.700 -0.330 0.000 0.973 87 T CA -0.014 62.001 62.100 -0.142 0.000 0.996 87 T CB 0.704 69.539 68.868 -0.054 0.000 0.927 87 T HN -0.082 nan 8.240 nan 0.000 0.456 88 F N 2.561 122.504 119.950 -0.012 0.000 2.540 88 F HA 0.491 5.020 4.527 0.004 0.000 0.317 88 F C -0.036 175.692 175.800 -0.120 0.000 1.104 88 F CA -1.318 56.634 58.000 -0.079 0.000 0.913 88 F CB 1.490 40.392 39.000 -0.163 0.000 1.170 88 F HN 0.294 nan 8.300 nan 0.000 0.450 89 I N 3.057 123.691 120.570 0.107 0.000 2.317 89 I HA 0.114 4.287 4.170 0.005 0.000 0.286 89 I C -0.244 175.903 176.117 0.051 0.000 1.119 89 I CA -0.584 60.759 61.300 0.070 0.000 1.228 89 I CB 0.084 38.158 38.000 0.124 0.000 1.476 89 I HN 0.573 nan 8.210 nan 0.000 0.514 90 C N 4.654 123.842 119.300 -0.187 0.000 3.183 90 C HA 0.153 4.616 4.460 0.005 0.000 0.545 90 C C 1.453 176.439 174.990 -0.007 0.000 1.044 90 C CA -0.413 58.443 59.018 -0.270 0.000 1.117 90 C CB -2.231 25.227 27.740 -0.469 0.000 1.393 90 C HN 0.741 nan 8.230 nan 0.000 0.611 91 S N 0.145 115.964 115.700 0.198 0.000 2.592 91 S HA 0.180 4.653 4.470 0.005 0.000 0.271 91 S C 0.984 175.802 174.600 0.364 0.000 1.326 91 S CA -0.400 57.955 58.200 0.259 0.000 1.024 91 S CB 1.241 64.604 63.200 0.272 0.000 0.921 91 S HN 0.766 nan 8.310 nan 0.000 0.527 92 E N 2.149 122.489 120.200 0.233 0.000 2.031 92 E HA -0.153 4.200 4.350 0.005 0.000 0.193 92 E C -0.149 176.628 176.600 0.294 0.000 0.994 92 E CA 1.021 57.552 56.400 0.218 0.000 0.800 92 E CB -0.056 29.710 29.700 0.110 0.000 0.752 92 E HN 0.701 nan 8.360 nan 0.000 0.447 93 K N 1.696 122.203 120.400 0.179 0.000 2.263 93 K HA 0.032 4.355 4.320 0.005 0.000 0.282 93 K C 0.532 177.058 176.600 -0.123 0.000 1.089 93 K CA -0.189 56.122 56.287 0.040 0.000 0.907 93 K CB 1.287 33.777 32.500 -0.017 0.000 1.148 93 K HN 0.100 nan 8.250 nan 0.000 0.470 94 E N 3.222 123.017 120.200 -0.675 0.000 2.434 94 E HA -0.383 3.970 4.350 0.005 0.000 0.245 94 E C 0.671 176.920 176.600 -0.585 0.000 1.097 94 E CA 2.390 57.969 56.400 -1.369 0.000 1.123 94 E CB 0.187 29.077 29.700 -1.351 0.000 0.977 94 E HN 0.651 nan 8.360 nan 0.000 0.480 95 E N 0.305 120.294 120.200 -0.353 0.000 2.219 95 E HA -0.163 4.190 4.350 0.005 0.000 0.198 95 E C 1.725 178.258 176.600 -0.111 0.000 0.998 95 E CA 1.416 57.696 56.400 -0.200 0.000 0.818 95 E CB -0.138 29.479 29.700 -0.139 0.000 0.741 95 E HN 0.353 nan 8.360 nan 0.000 0.477 96 D N -0.498 119.860 120.400 -0.071 0.000 2.323 96 D HA 0.048 4.691 4.640 0.005 0.000 0.209 96 D C 1.641 177.994 176.300 0.089 0.000 0.973 96 D CA 0.874 54.893 54.000 0.032 0.000 0.874 96 D CB 0.077 40.907 40.800 0.050 0.000 0.930 96 D HN 0.216 nan 8.370 nan 0.000 0.521 97 A N 0.531 123.386 122.820 0.058 0.000 1.855 97 A HA 0.387 4.710 4.320 0.005 0.000 0.213 97 A C 1.472 179.042 177.584 -0.023 0.000 1.195 97 A CA 1.543 53.630 52.037 0.082 0.000 0.610 97 A CB -0.631 18.498 19.000 0.216 0.000 0.837 97 A HN 0.331 nan 8.150 nan 0.000 0.444 98 G N -1.388 107.351 108.800 -0.102 0.000 2.741 98 G HA2 -0.142 3.821 3.960 0.005 0.000 0.222 98 G HA3 -0.142 3.821 3.960 0.005 0.000 0.222 98 G C -1.504 173.276 174.900 -0.200 0.000 1.364 98 G CA -0.020 44.984 45.100 -0.160 0.000 0.866 98 G HN 0.367 nan 8.290 nan 0.000 0.555 99 P HA 0.061 nan 4.420 nan 0.000 0.240 99 P C 1.567 178.688 177.300 -0.299 0.000 1.190 99 P CA 2.115 64.965 63.100 -0.417 0.000 0.781 99 P CB -0.004 31.203 31.700 -0.822 0.000 0.931 100 T N -4.846 109.577 114.554 -0.218 0.000 3.107 100 T HA 0.132 4.485 4.350 0.005 0.000 0.249 100 T C 0.757 175.428 174.700 -0.049 0.000 1.096 100 T CA -0.151 61.922 62.100 -0.045 0.000 1.012 100 T CB -0.508 68.320 68.868 -0.067 0.000 0.977 100 T HN -0.107 nan 8.240 nan 0.000 0.527 101 N N 2.209 120.876 118.700 -0.055 0.000 2.405 101 N HA 0.392 5.135 4.740 0.005 0.000 0.299 101 N C -0.932 174.592 175.510 0.023 0.000 1.075 101 N CA -0.563 52.474 53.050 -0.021 0.000 0.884 101 N CB 1.254 39.746 38.487 0.009 0.000 1.194 101 N HN 0.378 nan 8.380 nan 0.000 0.491 102 N N 0.103 118.798 118.700 -0.007 0.000 2.508 102 N HA 0.243 4.986 4.740 0.005 0.000 0.264 102 N C -0.802 174.847 175.510 0.232 0.000 1.216 102 N CA -0.035 53.033 53.050 0.031 0.000 0.943 102 N CB 1.181 39.544 38.487 -0.206 0.000 1.113 102 N HN 0.512 nan 8.380 nan 0.000 0.447 103 W N 0.880 122.256 121.300 0.127 0.000 3.029 103 W HA 0.726 5.389 4.660 0.004 0.000 0.339 103 W C -1.692 174.977 176.519 0.250 0.000 1.198 103 W CA -0.486 56.965 57.345 0.177 0.000 1.148 103 W CB 1.358 30.858 29.460 0.066 0.000 1.451 103 W HN 0.547 nan 8.180 nan 0.000 0.564 104 A N 3.743 126.001 122.820 -0.937 0.000 2.583 104 A HA 0.579 4.902 4.320 0.005 0.000 0.298 104 A C -3.069 173.538 177.584 -1.629 0.000 1.055 104 A CA -1.211 50.207 52.037 -1.032 0.000 0.714 104 A CB 1.052 19.616 19.000 -0.726 0.000 1.277 104 A HN 0.274 nan 8.150 nan 0.000 0.406 105 P HA 0.275 nan 4.420 nan 0.000 0.271 105 P C -1.940 175.084 177.300 -0.459 0.000 1.216 105 P CA -1.058 61.558 63.100 -0.806 0.000 0.776 105 P CB 0.516 32.016 31.700 -0.334 0.000 0.881 106 P HA -0.216 nan 4.420 nan 0.000 0.215 106 P C 1.188 178.416 177.300 -0.120 0.000 1.157 106 P CA 1.785 64.833 63.100 -0.086 0.000 0.868 106 P CB -0.100 31.615 31.700 0.025 0.000 0.788 107 Q N 0.159 119.876 119.800 -0.138 0.000 2.084 107 Q HA -0.043 4.300 4.340 0.005 0.000 0.202 107 Q C 2.323 178.230 176.000 -0.156 0.000 0.978 107 Q CA 1.956 57.672 55.803 -0.145 0.000 0.844 107 Q CB -1.746 26.932 28.738 -0.100 0.000 0.898 107 Q HN 0.212 nan 8.270 nan 0.000 0.426 108 A N 0.122 122.839 122.820 -0.171 0.000 2.015 108 A HA -0.087 4.236 4.320 0.005 0.000 0.219 108 A C 1.924 179.368 177.584 -0.235 0.000 1.163 108 A CA 1.143 53.072 52.037 -0.179 0.000 0.646 108 A CB -0.315 18.576 19.000 -0.181 0.000 0.806 108 A HN 0.220 nan 8.150 nan 0.000 0.448 109 M N 0.123 119.548 119.600 -0.291 0.000 2.098 109 M HA -0.083 4.400 4.480 0.005 0.000 0.262 109 M C 1.962 178.114 176.300 -0.247 0.000 1.072 109 M CA 1.624 56.702 55.300 -0.370 0.000 1.133 109 M CB -1.129 31.184 32.600 -0.479 0.000 1.344 109 M HN 0.440 nan 8.290 nan 0.000 0.414 110 K N 0.345 120.623 120.400 -0.204 0.000 2.020 110 K HA -0.205 4.118 4.320 0.005 0.000 0.212 110 K C 1.532 178.127 176.600 -0.007 0.000 1.050 110 K CA 1.722 57.891 56.287 -0.196 0.000 0.929 110 K CB -0.544 31.669 32.500 -0.478 0.000 0.714 110 K HN 0.277 nan 8.250 nan 0.000 0.443 111 D N 0.780 121.134 120.400 -0.075 0.000 2.123 111 D HA -0.195 4.448 4.640 0.005 0.000 0.196 111 D C 1.977 178.228 176.300 -0.081 0.000 0.992 111 D CA 1.433 55.399 54.000 -0.058 0.000 0.833 111 D CB -0.220 40.535 40.800 -0.074 0.000 0.954 111 D HN 0.311 nan 8.370 nan 0.000 0.455 112 E N 0.601 120.719 120.200 -0.138 0.000 2.028 112 E HA -0.126 4.227 4.350 0.005 0.000 0.191 112 E C 2.152 178.654 176.600 -0.162 0.000 0.988 112 E CA 0.989 57.291 56.400 -0.164 0.000 0.799 112 E CB -0.309 29.237 29.700 -0.256 0.000 0.755 112 E HN 0.189 nan 8.360 nan 0.000 0.447 113 M N 0.195 119.649 119.600 -0.243 0.000 2.108 113 M HA -0.178 4.305 4.480 0.005 0.000 0.261 113 M C 2.407 178.522 176.300 -0.308 0.000 1.066 113 M CA 1.725 56.842 55.300 -0.304 0.000 1.107 113 M CB -0.375 32.118 32.600 -0.178 0.000 1.356 113 M HN 0.063 nan 8.290 nan 0.000 0.406 114 S N 0.475 116.135 115.700 -0.066 0.000 2.413 114 S HA -0.203 4.270 4.470 0.005 0.000 0.237 114 S C 1.722 176.253 174.600 -0.115 0.000 1.044 114 S CA 1.520 59.690 58.200 -0.050 0.000 1.024 114 S CB -0.335 62.883 63.200 0.029 0.000 0.829 114 S HN 0.465 nan 8.310 nan 0.000 0.475 115 K N -0.715 119.590 120.400 -0.158 0.000 2.314 115 K HA 0.083 4.406 4.320 0.005 0.000 0.198 115 K C 1.747 178.158 176.600 -0.315 0.000 1.045 115 K CA 0.650 56.808 56.287 -0.216 0.000 0.988 115 K CB -0.040 32.317 32.500 -0.238 0.000 0.783 115 K HN 0.463 nan 8.250 nan 0.000 0.484 116 H N -0.786 118.142 119.070 -0.237 0.000 2.384 116 H HA 0.038 4.596 4.556 0.005 0.000 0.300 116 H C 1.365 176.582 175.328 -0.186 0.000 1.057 116 H CA 1.171 57.007 56.048 -0.353 0.000 1.370 116 H CB 0.112 29.394 29.762 -0.801 0.000 1.417 116 H HN 0.169 nan 8.280 nan 0.000 0.527 117 Y N 0.703 120.885 120.300 -0.196 0.000 2.403 117 Y HA -0.056 4.497 4.550 0.006 0.000 0.291 117 Y C 1.375 177.064 175.900 -0.351 0.000 1.143 117 Y CA -0.372 57.539 58.100 -0.314 0.000 1.257 117 Y CB 0.134 38.202 38.460 -0.653 0.000 0.984 117 Y HN 0.149 nan 8.280 nan 0.000 0.550 118 A N 0.868 123.637 122.820 -0.086 0.000 2.505 118 A HA 0.302 4.625 4.320 0.005 0.000 0.271 118 A C 1.422 178.987 177.584 -0.032 0.000 1.112 118 A CA 0.698 52.676 52.037 -0.099 0.000 0.781 118 A CB -1.014 17.931 19.000 -0.090 0.000 1.059 118 A HN 0.700 nan 8.150 nan 0.000 0.508 119 G N 2.242 111.025 108.800 -0.028 0.000 2.233 119 G HA2 -0.322 3.641 3.960 0.005 0.000 0.270 119 G HA3 -0.322 3.641 3.960 0.005 0.000 0.270 119 G C 1.246 176.194 174.900 0.080 0.000 1.011 119 G CA 1.373 46.487 45.100 0.024 0.000 0.762 119 G HN 2.082 nan 8.290 nan 0.000 0.511 120 S N -1.015 114.773 115.700 0.147 0.000 2.447 120 S HA 0.100 4.573 4.470 0.005 0.000 0.233 120 S C 1.971 176.671 174.600 0.167 0.000 1.006 120 S CA 1.473 59.810 58.200 0.228 0.000 0.957 120 S CB -0.183 63.267 63.200 0.416 0.000 0.773 120 S HN 0.517 nan 8.310 nan 0.000 0.507 121 M N 1.098 120.785 119.600 0.146 0.000 2.493 121 M HA 0.313 4.796 4.480 0.005 0.000 0.244 121 M C 0.316 176.620 176.300 0.006 0.000 1.182 121 M CA -0.242 55.079 55.300 0.035 0.000 0.981 121 M CB 0.193 32.763 32.600 -0.049 0.000 1.551 121 M HN -0.026 nan 8.290 nan 0.000 0.476 122 K N 1.930 122.345 120.400 0.025 0.000 2.473 122 K HA -0.001 4.322 4.320 0.005 0.000 0.277 122 K C 1.006 177.606 176.600 0.001 0.000 1.052 122 K CA 1.244 57.537 56.287 0.009 0.000 1.114 122 K CB -0.104 32.407 32.500 0.019 0.000 0.869 122 K HN 0.597 nan 8.250 nan 0.000 0.481 123 G N 3.901 112.693 108.800 -0.013 0.000 2.194 123 G HA2 -0.237 3.726 3.960 0.005 0.000 0.236 123 G HA3 -0.237 3.726 3.960 0.005 0.000 0.236 123 G C 0.120 175.003 174.900 -0.028 0.000 0.987 123 G CA 0.211 45.302 45.100 -0.015 0.000 0.635 123 G HN 0.609 nan 8.290 nan 0.000 0.520 124 R N -0.414 120.058 120.500 -0.046 0.000 2.888 124 R HA 0.672 5.015 4.340 0.005 0.000 0.264 124 R C -0.637 175.587 176.300 -0.126 0.000 1.045 124 R CA -0.497 55.563 56.100 -0.066 0.000 0.962 124 R CB 1.186 31.452 30.300 -0.056 0.000 1.210 124 R HN 0.110 nan 8.270 nan 0.000 0.479 125 T N 1.519 115.968 114.554 -0.175 0.000 2.909 125 T HA 0.300 4.653 4.350 0.005 0.000 0.286 125 T C -0.118 174.312 174.700 -0.449 0.000 1.002 125 T CA -0.408 61.472 62.100 -0.367 0.000 1.074 125 T CB 0.896 69.412 68.868 -0.587 0.000 0.984 125 T HN 0.257 nan 8.240 nan 0.000 0.495 126 M N 3.420 122.713 119.600 -0.512 0.000 2.129 126 M HA 0.376 4.859 4.480 0.005 0.000 0.348 126 M C -1.700 174.239 176.300 -0.601 0.000 1.116 126 M CA -0.688 54.326 55.300 -0.478 0.000 1.022 126 M CB 0.387 32.739 32.600 -0.412 0.000 1.599 126 M HN 0.621 nan 8.290 nan 0.000 0.449 127 Y N 3.685 123.857 120.300 -0.214 0.000 2.328 127 Y HA 0.414 4.967 4.550 0.005 0.000 0.337 127 Y C -0.020 175.745 175.900 -0.226 0.000 1.008 127 Y CA -0.786 57.201 58.100 -0.189 0.000 1.129 127 Y CB 1.054 39.444 38.460 -0.116 0.000 1.185 127 Y HN 0.303 nan 8.280 nan 0.000 0.476 128 V N 5.015 124.811 119.914 -0.196 0.000 2.385 128 V HA 0.271 4.394 4.120 0.005 0.000 0.269 128 V C -0.333 175.744 176.094 -0.029 0.000 1.043 128 V CA -0.646 61.499 62.300 -0.258 0.000 0.906 128 V CB 0.968 32.326 31.823 -0.775 0.000 0.995 128 V HN 0.550 nan 8.190 nan 0.000 0.467 129 V N 8.391 128.361 119.914 0.093 0.000 2.327 129 V HA 0.336 4.459 4.120 0.005 0.000 0.272 129 V C -2.239 174.014 176.094 0.265 0.000 1.019 129 V CA -1.481 60.923 62.300 0.173 0.000 0.814 129 V CB 1.700 33.625 31.823 0.170 0.000 1.040 129 V HN 0.722 nan 8.190 nan 0.000 0.440 130 P HA 0.558 nan 4.420 nan 0.000 0.281 130 P C -0.955 176.475 177.300 0.217 0.000 1.249 130 P CA -0.205 62.965 63.100 0.116 0.000 0.810 130 P CB 1.259 32.987 31.700 0.048 0.000 1.008 131 F N -0.750 119.245 119.950 0.074 0.000 2.713 131 F HA 0.638 5.168 4.527 0.005 0.000 0.311 131 F C -1.957 173.871 175.800 0.048 0.000 1.141 131 F CA -1.119 56.913 58.000 0.052 0.000 0.939 131 F CB 0.723 39.753 39.000 0.050 0.000 1.325 131 F HN 0.477 nan 8.300 nan 0.000 0.453 132 C N 4.405 123.838 119.300 0.223 0.000 2.431 132 C HA 0.616 5.079 4.460 0.005 0.000 0.321 132 C C -0.299 174.739 174.990 0.080 0.000 1.202 132 C CA -0.725 58.343 59.018 0.083 0.000 1.398 132 C CB 0.975 28.729 27.740 0.024 0.000 2.047 132 C HN 0.829 nan 8.230 nan 0.000 0.465 133 M N 5.395 125.006 119.600 0.018 0.000 3.706 133 M HA 0.375 4.858 4.480 0.005 0.000 0.204 133 M C 0.774 176.910 176.300 -0.274 0.000 1.455 133 M CA 0.563 55.768 55.300 -0.159 0.000 1.659 133 M CB -1.234 31.255 32.600 -0.186 0.000 1.076 133 M HN 1.101 nan 8.290 nan 0.000 0.577 134 G N 1.905 110.589 108.800 -0.193 0.000 2.340 134 G HA2 0.053 4.016 3.960 0.005 0.000 0.527 134 G HA3 0.053 4.016 3.960 0.005 0.000 0.527 134 G C -3.310 171.541 174.900 -0.081 0.000 1.381 134 G CA -1.379 43.623 45.100 -0.164 0.000 1.001 134 G HN 0.169 nan 8.290 nan 0.000 0.626 135 P HA 0.071 nan 4.420 nan 0.000 0.261 135 P C 1.361 178.643 177.300 -0.031 0.000 1.158 135 P CA 0.443 63.510 63.100 -0.055 0.000 0.758 135 P CB 0.094 31.799 31.700 0.008 0.000 0.763 136 I N 1.900 122.437 120.570 -0.054 0.000 2.394 136 I HA -0.177 3.996 4.170 0.005 0.000 0.251 136 I C 1.990 178.051 176.117 -0.092 0.000 1.136 136 I CA 1.714 62.977 61.300 -0.061 0.000 1.425 136 I CB -1.675 36.293 38.000 -0.053 0.000 1.079 136 I HN 0.277 nan 8.210 nan 0.000 0.425 137 S N -0.021 115.631 115.700 -0.079 0.000 2.500 137 S HA -0.172 4.301 4.470 0.005 0.000 0.239 137 S C 1.051 175.435 174.600 -0.360 0.000 0.989 137 S CA 0.318 58.443 58.200 -0.124 0.000 0.951 137 S CB -1.114 62.085 63.200 -0.001 0.000 0.759 137 S HN 0.601 nan 8.310 nan 0.000 0.523 138 D N 2.987 123.182 120.400 -0.341 0.000 2.525 138 D HA 0.056 4.699 4.640 0.005 0.000 0.235 138 D C -1.408 174.503 176.300 -0.649 0.000 1.137 138 D CA -1.139 52.480 54.000 -0.636 0.000 0.868 138 D CB 1.121 41.820 40.800 -0.168 0.000 1.180 138 D HN 0.070 nan 8.370 nan 0.000 0.465 139 P HA -0.116 nan 4.420 nan 0.000 0.210 139 P C -0.069 177.045 177.300 -0.310 0.000 1.185 139 P CA 1.210 63.987 63.100 -0.538 0.000 0.924 139 P CB 0.255 31.620 31.700 -0.559 0.000 0.786 140 D N -0.930 119.321 120.400 -0.249 0.000 2.432 140 D HA 0.198 4.841 4.640 0.005 0.000 0.265 140 D C -2.340 173.917 176.300 -0.071 0.000 1.160 140 D CA -2.444 51.481 54.000 -0.126 0.000 0.911 140 D CB 0.336 41.087 40.800 -0.082 0.000 1.052 140 D HN 0.058 nan 8.370 nan 0.000 0.508 141 P HA 0.197 nan 4.420 nan 0.000 0.275 141 P C -0.464 176.887 177.300 0.084 0.000 1.266 141 P CA -0.622 62.486 63.100 0.013 0.000 0.793 141 P CB 1.021 32.717 31.700 -0.008 0.000 1.074 142 K N 1.157 121.666 120.400 0.182 0.000 2.248 142 K HA 0.424 4.747 4.320 0.005 0.000 0.281 142 K C 0.022 176.756 176.600 0.223 0.000 1.054 142 K CA -0.346 56.116 56.287 0.292 0.000 0.903 142 K CB 0.160 32.973 32.500 0.521 0.000 1.077 142 K HN 0.435 nan 8.250 nan 0.000 0.474 143 L N 0.833 122.173 121.223 0.195 0.000 2.334 143 L HA 0.685 5.028 4.340 0.005 0.000 0.272 143 L C 0.794 177.681 176.870 0.030 0.000 1.020 143 L CA -0.718 54.147 54.840 0.040 0.000 0.812 143 L CB 2.053 44.121 42.059 0.016 0.000 1.264 143 L HN 0.652 nan 8.230 nan 0.000 0.439 144 G N 0.347 108.822 108.800 -0.541 0.000 2.680 144 G HA2 0.714 4.677 3.960 0.005 0.000 0.290 144 G HA3 0.714 4.677 3.960 0.005 0.000 0.290 144 G C -1.806 172.725 174.900 -0.614 0.000 1.355 144 G CA -0.470 44.231 45.100 -0.665 0.000 0.903 144 G HN 0.309 nan 8.290 nan 0.000 0.474 145 V N -0.074 119.848 119.914 0.013 0.000 2.735 145 V HA 0.605 4.728 4.120 0.005 0.000 0.310 145 V C -0.421 176.033 176.094 0.600 0.000 1.061 145 V CA -0.742 61.687 62.300 0.214 0.000 0.913 145 V CB 1.739 33.601 31.823 0.065 0.000 1.005 145 V HN 0.851 nan 8.190 nan 0.000 0.428 146 Q N 3.335 123.493 119.800 0.597 0.000 2.340 146 Q HA 0.680 5.023 4.340 0.005 0.000 0.268 146 Q C -1.781 174.389 176.000 0.284 0.000 1.031 146 Q CA -0.653 55.453 55.803 0.506 0.000 0.804 146 Q CB 1.942 30.908 28.738 0.381 0.000 1.286 146 Q HN 0.745 nan 8.270 nan 0.000 0.448 147 L N 3.070 124.384 121.223 0.151 0.000 2.275 147 L HA 0.612 4.955 4.340 0.005 0.000 0.288 147 L C 0.012 176.797 176.870 -0.143 0.000 1.046 147 L CA -0.434 54.318 54.840 -0.146 0.000 0.805 147 L CB 1.681 43.461 42.059 -0.466 0.000 1.193 147 L HN 0.708 nan 8.230 nan 0.000 0.426 148 T N -0.801 113.691 114.554 -0.103 0.000 2.843 148 T HA 0.310 4.663 4.350 0.005 0.000 0.302 148 T C -0.619 174.066 174.700 -0.025 0.000 1.232 148 T CA -0.609 61.492 62.100 0.001 0.000 1.009 148 T CB 1.797 70.781 68.868 0.192 0.000 1.254 148 T HN 0.700 nan 8.240 nan 0.000 0.504 149 D N 0.545 120.927 120.400 -0.030 0.000 2.440 149 D HA 0.230 4.873 4.640 0.005 0.000 0.216 149 D C 0.310 176.657 176.300 0.079 0.000 1.150 149 D CA -0.214 53.791 54.000 0.008 0.000 0.832 149 D CB 0.233 40.969 40.800 -0.106 0.000 0.992 149 D HN 0.268 nan 8.370 nan 0.000 0.502 150 S N 0.346 116.100 115.700 0.089 0.000 2.420 150 S HA 0.148 4.621 4.470 0.005 0.000 0.313 150 S C 0.937 175.481 174.600 -0.093 0.000 1.079 150 S CA -0.506 57.700 58.200 0.010 0.000 1.104 150 S CB 1.209 64.419 63.200 0.017 0.000 0.969 150 S HN 0.103 nan 8.310 nan 0.000 0.471 151 E N 3.284 123.381 120.200 -0.171 0.000 2.110 151 E HA -0.188 4.165 4.350 0.005 0.000 0.193 151 E C 1.199 177.646 176.600 -0.254 0.000 0.988 151 E CA 1.294 57.475 56.400 -0.366 0.000 0.804 151 E CB -0.113 29.405 29.700 -0.303 0.000 0.745 151 E HN 0.954 nan 8.360 nan 0.000 0.458 152 Y N 0.236 120.368 120.300 -0.280 0.000 2.207 152 Y HA -0.251 4.302 4.550 0.005 0.000 0.287 152 Y C 1.931 177.695 175.900 -0.227 0.000 1.156 152 Y CA 1.248 59.200 58.100 -0.246 0.000 1.182 152 Y CB -0.068 38.273 38.460 -0.198 0.000 0.979 152 Y HN -0.137 nan 8.280 nan 0.000 0.521 153 V N -0.438 119.435 119.914 -0.069 0.000 2.343 153 V HA -0.307 3.816 4.120 0.005 0.000 0.247 153 V C 2.347 178.287 176.094 -0.257 0.000 1.051 153 V CA 1.675 63.856 62.300 -0.198 0.000 1.036 153 V CB -0.798 30.924 31.823 -0.168 0.000 0.654 153 V HN 0.404 nan 8.190 nan 0.000 0.451 154 V N -0.379 119.384 119.914 -0.252 0.000 2.332 154 V HA -0.344 3.779 4.120 0.005 0.000 0.248 154 V C 2.371 178.347 176.094 -0.197 0.000 1.055 154 V CA 2.440 64.596 62.300 -0.240 0.000 1.038 154 V CB -0.620 30.983 31.823 -0.366 0.000 0.651 154 V HN 0.472 nan 8.190 nan 0.000 0.450 155 M N -0.589 118.832 119.600 -0.298 0.000 2.229 155 M HA -0.130 4.353 4.480 0.005 0.000 0.264 155 M C 2.360 178.689 176.300 0.050 0.000 1.063 155 M CA 1.549 56.697 55.300 -0.253 0.000 1.114 155 M CB -0.403 31.794 32.600 -0.672 0.000 1.387 155 M HN 0.300 nan 8.290 nan 0.000 0.420 156 S N 0.133 115.694 115.700 -0.232 0.000 2.371 156 S HA 0.021 4.494 4.470 0.005 0.000 0.224 156 S C 1.852 176.330 174.600 -0.203 0.000 1.029 156 S CA 1.006 59.052 58.200 -0.257 0.000 0.978 156 S CB -0.053 62.856 63.200 -0.485 0.000 0.833 156 S HN 0.422 nan 8.310 nan 0.000 0.466 157 M N 0.835 120.311 119.600 -0.206 0.000 2.394 157 M HA 0.070 4.553 4.480 0.005 0.000 0.264 157 M C 2.171 178.411 176.300 -0.100 0.000 1.073 157 M CA 0.710 55.891 55.300 -0.199 0.000 1.111 157 M CB -0.770 31.700 32.600 -0.216 0.000 1.401 157 M HN 0.229 nan 8.290 nan 0.000 0.448 158 R N 1.238 121.734 120.500 -0.006 0.000 2.066 158 R HA -0.072 4.271 4.340 0.005 0.000 0.232 158 R C 1.895 178.159 176.300 -0.060 0.000 1.131 158 R CA 1.375 57.492 56.100 0.030 0.000 0.955 158 R CB -0.400 30.017 30.300 0.195 0.000 0.851 158 R HN 0.344 nan 8.270 nan 0.000 0.432 159 I N 0.516 121.045 120.570 -0.069 0.000 2.252 159 I HA -0.262 3.911 4.170 0.005 0.000 0.245 159 I C 2.168 178.207 176.117 -0.130 0.000 1.102 159 I CA 0.964 62.187 61.300 -0.130 0.000 1.385 159 I CB -0.099 37.851 38.000 -0.084 0.000 1.064 159 I HN 0.132 nan 8.210 nan 0.000 0.414 160 M N -0.075 119.442 119.600 -0.139 0.000 2.476 160 M HA 0.081 4.564 4.480 0.005 0.000 0.262 160 M C 1.016 177.220 176.300 -0.160 0.000 1.111 160 M CA 0.758 55.959 55.300 -0.165 0.000 1.127 160 M CB -0.936 31.528 32.600 -0.227 0.000 1.376 160 M HN 0.309 nan 8.290 nan 0.000 0.465 161 T N -2.010 112.462 114.554 -0.137 0.000 2.858 161 T HA 0.608 4.961 4.350 0.005 0.000 0.285 161 T C -0.221 174.459 174.700 -0.033 0.000 1.052 161 T CA -0.935 61.112 62.100 -0.089 0.000 1.009 161 T CB 1.783 70.605 68.868 -0.076 0.000 1.241 161 T HN -0.047 nan 8.240 nan 0.000 0.542 162 R N 1.395 121.899 120.500 0.006 0.000 2.608 162 R HA 0.354 4.697 4.340 0.005 0.000 0.277 162 R C 0.223 176.562 176.300 0.066 0.000 1.341 162 R CA -0.241 55.867 56.100 0.014 0.000 1.199 162 R CB -0.463 29.835 30.300 -0.003 0.000 1.156 162 R HN 0.698 nan 8.270 nan 0.000 0.558 163 M N 1.185 120.823 119.600 0.063 0.000 2.314 163 M HA 0.595 5.078 4.480 0.005 0.000 0.342 163 M C 0.337 176.687 176.300 0.082 0.000 1.171 163 M CA 0.682 56.047 55.300 0.109 0.000 1.098 163 M CB 1.240 33.896 32.600 0.093 0.000 1.559 163 M HN 0.600 nan 8.290 nan 0.000 0.459 164 G N 3.172 112.031 108.800 0.100 0.000 2.395 164 G HA2 -0.205 3.758 3.960 0.005 0.000 0.201 164 G HA3 -0.205 3.758 3.960 0.005 0.000 0.201 164 G C -0.112 174.828 174.900 0.066 0.000 1.206 164 G CA -0.049 45.103 45.100 0.087 0.000 1.210 164 G HN 0.781 nan 8.290 nan 0.000 0.557 165 I N 1.284 121.884 120.570 0.049 0.000 2.493 165 I HA 0.072 4.245 4.170 0.005 0.000 0.254 165 I C 2.357 178.478 176.117 0.007 0.000 1.160 165 I CA 2.502 63.819 61.300 0.028 0.000 1.445 165 I CB -0.062 37.949 38.000 0.018 0.000 1.086 165 I HN 0.589 nan 8.210 nan 0.000 0.433 166 E N 0.865 121.068 120.200 0.005 0.000 2.076 166 E HA -0.064 4.289 4.350 0.005 0.000 0.190 166 E C 2.187 178.780 176.600 -0.011 0.000 0.979 166 E CA 1.488 57.882 56.400 -0.009 0.000 0.807 166 E CB -0.468 29.223 29.700 -0.014 0.000 0.761 166 E HN 0.422 nan 8.360 nan 0.000 0.454 167 A N 1.718 124.540 122.820 0.004 0.000 1.883 167 A HA -0.149 4.174 4.320 0.005 0.000 0.217 167 A C 2.372 179.941 177.584 -0.025 0.000 1.186 167 A CA 1.454 53.489 52.037 -0.004 0.000 0.624 167 A CB -0.937 18.080 19.000 0.028 0.000 0.822 167 A HN 0.403 nan 8.150 nan 0.000 0.444 168 L N -0.384 120.832 121.223 -0.011 0.000 2.043 168 L HA -0.231 4.112 4.340 0.005 0.000 0.212 168 L C 1.386 178.234 176.870 -0.037 0.000 1.075 168 L CA 2.490 57.317 54.840 -0.023 0.000 0.752 168 L CB -0.698 41.370 42.059 0.015 0.000 0.891 168 L HN 0.367 nan 8.230 nan 0.000 0.432 169 D N -1.069 119.312 120.400 -0.031 0.000 2.347 169 D HA -0.103 4.540 4.640 0.005 0.000 0.213 169 D C 1.992 178.269 176.300 -0.039 0.000 0.985 169 D CA 0.522 54.501 54.000 -0.035 0.000 0.879 169 D CB 0.320 41.101 40.800 -0.032 0.000 0.919 169 D HN 0.139 nan 8.370 nan 0.000 0.526 170 K N 0.222 120.598 120.400 -0.040 0.000 2.186 170 K HA 0.121 4.444 4.320 0.005 0.000 0.202 170 K C 1.878 178.456 176.600 -0.037 0.000 1.052 170 K CA 0.424 56.684 56.287 -0.044 0.000 0.965 170 K CB 0.085 32.557 32.500 -0.046 0.000 0.746 170 K HN 0.037 nan 8.250 nan 0.000 0.457 171 I N 0.079 120.627 120.570 -0.038 0.000 2.142 171 I HA -0.105 4.068 4.170 0.005 0.000 0.240 171 I C 1.334 177.440 176.117 -0.018 0.000 1.078 171 I CA 1.108 62.391 61.300 -0.029 0.000 1.343 171 I CB -0.657 37.296 38.000 -0.078 0.000 1.046 171 I HN 0.462 nan 8.210 nan 0.000 0.405 172 G N -0.148 108.635 108.800 -0.029 0.000 2.660 172 G HA2 -0.174 3.789 3.960 0.005 0.000 0.215 172 G HA3 -0.174 3.789 3.960 0.005 0.000 0.215 172 G C 0.512 175.404 174.900 -0.013 0.000 1.345 172 G CA -0.049 45.038 45.100 -0.020 0.000 0.877 172 G HN 0.408 nan 8.290 nan 0.000 0.549 173 A N -0.716 122.101 122.820 -0.006 0.000 1.929 173 A HA 0.231 4.554 4.320 0.005 0.000 0.216 173 A C 1.583 179.181 177.584 0.022 0.000 1.176 173 A CA 2.295 54.334 52.037 0.004 0.000 0.628 173 A CB -0.108 18.892 19.000 0.000 0.000 0.816 173 A HN 0.983 nan 8.150 nan 0.000 0.444 174 N N -0.749 117.965 118.700 0.023 0.000 2.553 174 N HA 0.379 5.122 4.740 0.005 0.000 0.298 174 N C -0.175 175.362 175.510 0.046 0.000 1.596 174 N CA 0.370 53.442 53.050 0.037 0.000 0.910 174 N CB 1.022 39.523 38.487 0.023 0.000 1.336 174 N HN 0.369 nan 8.380 nan 0.000 0.497 175 G N -0.874 107.963 108.800 0.062 0.000 2.389 175 G HA2 0.415 4.378 3.960 0.005 0.000 0.328 175 G HA3 0.415 4.378 3.960 0.005 0.000 0.328 175 G C -0.250 174.744 174.900 0.157 0.000 1.133 175 G CA -0.245 44.899 45.100 0.074 0.000 0.891 175 G HN 0.141 nan 8.290 nan 0.000 0.485 176 S N -0.323 115.446 115.700 0.116 0.000 2.584 176 S HA 0.693 5.166 4.470 0.005 0.000 0.273 176 S C -0.663 174.054 174.600 0.196 0.000 1.311 176 S CA -0.234 58.029 58.200 0.105 0.000 1.034 176 S CB 0.245 63.447 63.200 0.004 0.000 0.939 176 S HN 0.594 nan 8.310 nan 0.000 0.513 177 F N -0.214 119.668 119.950 -0.112 0.000 2.628 177 F HA 0.628 5.158 4.527 0.005 0.000 0.309 177 F C -1.050 174.633 175.800 -0.195 0.000 1.108 177 F CA -1.397 56.516 58.000 -0.144 0.000 0.971 177 F CB 0.461 39.348 39.000 -0.189 0.000 1.279 177 F HN 0.173 nan 8.300 nan 0.000 0.441 178 V N 3.270 123.119 119.914 -0.108 0.000 2.521 178 V HA 0.229 4.352 4.120 0.005 0.000 0.286 178 V C 0.216 176.241 176.094 -0.114 0.000 1.034 178 V CA -0.188 61.968 62.300 -0.240 0.000 1.045 178 V CB 0.470 31.985 31.823 -0.514 0.000 0.974 178 V HN 0.679 nan 8.190 nan 0.000 0.480 179 R N 3.763 124.116 120.500 -0.245 0.000 2.267 179 R HA 0.449 4.792 4.340 0.005 0.000 0.319 179 R C -0.716 175.839 176.300 0.424 0.000 1.067 179 R CA 0.019 56.059 56.100 -0.100 0.000 0.936 179 R CB 0.360 30.496 30.300 -0.274 0.000 1.006 179 R HN 0.749 nan 8.270 nan 0.000 0.452 180 C N 4.156 123.852 119.300 0.660 0.000 2.441 180 C HA 0.589 5.052 4.460 0.005 0.000 0.318 180 C C -0.944 174.404 174.990 0.597 0.000 1.222 180 C CA -1.049 58.346 59.018 0.628 0.000 1.474 180 C CB 0.889 28.956 27.740 0.545 0.000 2.125 180 C HN 0.491 nan 8.230 nan 0.000 0.479 181 L N 3.142 124.649 121.223 0.472 0.000 2.333 181 L HA 0.689 5.032 4.340 0.005 0.000 0.269 181 L C -0.094 176.951 176.870 0.293 0.000 1.010 181 L CA -0.076 54.879 54.840 0.192 0.000 0.818 181 L CB 1.178 43.189 42.059 -0.080 0.000 1.306 181 L HN 0.809 nan 8.230 nan 0.000 0.430 182 H N 0.896 119.942 119.070 -0.041 0.000 3.026 182 H HA 0.550 5.109 4.556 0.005 0.000 0.352 182 H C -1.866 173.428 175.328 -0.056 0.000 1.090 182 H CA -0.110 55.983 56.048 0.074 0.000 1.268 182 H CB 2.145 31.947 29.762 0.066 0.000 1.816 182 H HN 0.544 nan 8.280 nan 0.000 0.518 183 S N 3.026 118.412 115.700 -0.523 0.000 2.540 183 S HA 0.236 4.709 4.470 0.005 0.000 0.275 183 S C 1.075 175.287 174.600 -0.646 0.000 1.123 183 S CA -0.162 57.738 58.200 -0.500 0.000 0.907 183 S CB 1.340 64.567 63.200 0.044 0.000 1.081 183 S HN 0.550 nan 8.310 nan 0.000 0.476 184 V N 1.881 121.495 119.914 -0.500 0.000 2.913 184 V HA 0.296 4.419 4.120 0.005 0.000 0.260 184 V C 1.390 177.268 176.094 -0.360 0.000 1.098 184 V CA 0.998 63.092 62.300 -0.344 0.000 1.121 184 V CB -1.596 30.098 31.823 -0.216 0.000 0.714 184 V HN 1.813 nan 8.190 nan 0.000 0.487 185 G N 0.247 108.878 108.800 -0.282 0.000 2.298 185 G HA2 0.068 4.031 3.960 0.005 0.000 0.287 185 G HA3 0.068 4.031 3.960 0.005 0.000 0.287 185 G C 0.187 175.103 174.900 0.026 0.000 1.075 185 G CA 0.287 45.341 45.100 -0.076 0.000 0.960 185 G HN 1.952 nan 8.290 nan 0.000 0.502 186 A N 0.528 123.357 122.820 0.016 0.000 3.355 186 A HA 0.736 5.059 4.320 0.005 0.000 0.290 186 A C -1.523 176.082 177.584 0.035 0.000 0.973 186 A CA -0.784 51.269 52.037 0.028 0.000 0.933 186 A CB 1.233 20.232 19.000 -0.003 0.000 1.138 186 A HN 0.318 nan 8.150 nan 0.000 0.490 187 P HA 0.093 nan 4.420 nan 0.000 0.266 187 P C -0.563 176.759 177.300 0.037 0.000 1.193 187 P CA 0.498 63.631 63.100 0.054 0.000 0.770 187 P CB 0.864 32.608 31.700 0.073 0.000 0.836 188 L N 2.570 123.807 121.223 0.023 0.000 2.377 188 L HA 0.237 4.580 4.340 0.005 0.000 0.270 188 L C 0.552 177.430 176.870 0.014 0.000 0.991 188 L CA -0.839 54.011 54.840 0.017 0.000 0.851 188 L CB 1.448 43.512 42.059 0.009 0.000 1.218 188 L HN 0.261 nan 8.230 nan 0.000 0.420 189 E N 3.629 123.838 120.200 0.017 0.000 2.408 189 E HA 0.118 4.471 4.350 0.005 0.000 0.259 189 E C -1.644 174.961 176.600 0.010 0.000 1.110 189 E CA -1.980 54.428 56.400 0.013 0.000 0.929 189 E CB 0.485 30.193 29.700 0.015 0.000 0.971 189 E HN 0.297 nan 8.360 nan 0.000 0.438 190 P HA -0.142 nan 4.420 nan 0.000 0.205 190 P C 0.252 177.556 177.300 0.006 0.000 1.164 190 P CA 1.595 64.698 63.100 0.005 0.000 0.938 190 P CB -0.000 31.702 31.700 0.004 0.000 0.777 191 G N -0.228 108.576 108.800 0.007 0.000 2.355 191 G HA2 0.416 4.379 3.960 0.005 0.000 0.276 191 G HA3 0.416 4.379 3.960 0.005 0.000 0.276 191 G C -0.822 174.085 174.900 0.011 0.000 1.198 191 G CA 0.033 45.138 45.100 0.009 0.000 0.876 191 G HN 0.389 nan 8.290 nan 0.000 0.478 192 Q N 1.989 121.797 119.800 0.012 0.000 3.227 192 Q HA -0.005 4.339 4.340 0.005 0.000 0.181 192 Q C -1.279 174.731 176.000 0.016 0.000 0.905 192 Q CA -0.664 55.148 55.803 0.015 0.000 1.313 192 Q CB 0.370 29.117 28.738 0.016 0.000 1.585 192 Q HN 0.449 nan 8.270 nan 0.000 0.639 193 E N 2.906 123.117 120.200 0.018 0.000 2.417 193 E HA 0.006 4.359 4.350 0.005 0.000 0.261 193 E C -0.345 176.269 176.600 0.023 0.000 1.000 193 E CA 0.345 56.757 56.400 0.020 0.000 0.919 193 E CB 0.741 30.454 29.700 0.022 0.000 0.955 193 E HN 0.536 nan 8.360 nan 0.000 0.455 194 D N 1.944 122.357 120.400 0.022 0.000 2.339 194 D HA 0.112 4.755 4.640 0.005 0.000 0.245 194 D C -0.236 176.085 176.300 0.034 0.000 1.115 194 D CA -0.349 53.665 54.000 0.024 0.000 0.917 194 D CB 1.210 42.019 40.800 0.016 0.000 1.192 194 D HN -0.009 nan 8.370 nan 0.000 0.428 195 V N 2.124 122.064 119.914 0.042 0.000 3.036 195 V HA 0.323 4.446 4.120 0.005 0.000 0.308 195 V C 1.684 177.824 176.094 0.076 0.000 1.070 195 V CA -0.169 62.169 62.300 0.064 0.000 1.056 195 V CB 0.991 32.865 31.823 0.085 0.000 1.084 195 V HN 0.765 nan 8.190 nan 0.000 0.471 196 A N 1.839 124.721 122.820 0.103 0.000 1.869 196 A HA -0.183 4.140 4.320 0.005 0.000 0.218 196 A C 1.071 178.766 177.584 0.184 0.000 1.203 196 A CA 1.822 53.940 52.037 0.135 0.000 0.638 196 A CB -0.293 18.799 19.000 0.154 0.000 0.831 196 A HN 0.886 nan 8.150 nan 0.000 0.450 197 W N 1.339 122.639 121.300 -0.000 0.000 2.363 197 W HA 0.472 5.135 4.660 0.005 0.000 0.314 197 W C -3.244 173.270 176.519 -0.008 0.000 0.994 197 W CA -2.850 54.484 57.345 -0.017 0.000 1.449 197 W CB 0.870 30.320 29.460 -0.016 0.000 1.248 197 W HN 0.094 nan 8.180 nan 0.000 0.409 198 P HA 0.163 nan 4.420 nan 0.000 0.271 198 P C -0.253 176.974 177.300 -0.121 0.000 1.220 198 P CA 0.514 63.561 63.100 -0.089 0.000 0.768 198 P CB 0.702 32.324 31.700 -0.129 0.000 0.848 199 C N 1.093 120.390 119.300 -0.005 0.000 3.167 199 C HA 0.655 5.118 4.460 0.005 0.000 0.348 199 C C -1.871 173.128 174.990 0.015 0.000 1.394 199 C CA -0.777 58.246 59.018 0.008 0.000 1.204 199 C CB 1.402 29.244 27.740 0.171 0.000 1.467 199 C HN 0.550 nan 8.230 nan 0.000 0.446 200 N N -0.206 118.486 118.700 -0.014 0.000 2.357 200 N HA 0.398 5.141 4.740 0.005 0.000 0.284 200 N C -0.073 175.455 175.510 0.030 0.000 1.236 200 N CA -0.310 52.747 53.050 0.012 0.000 0.774 200 N CB 2.394 40.871 38.487 -0.016 0.000 1.534 200 N HN 0.848 nan 8.380 nan 0.000 0.478 201 D N 0.035 120.466 120.400 0.053 0.000 2.123 201 D HA -0.041 4.602 4.640 0.005 0.000 0.200 201 D C -0.042 176.253 176.300 -0.008 0.000 0.976 201 D CA 1.304 55.322 54.000 0.031 0.000 0.831 201 D CB 0.165 40.989 40.800 0.041 0.000 0.974 201 D HN 0.440 nan 8.370 nan 0.000 0.469 202 T N 1.717 116.265 114.554 -0.011 0.000 2.834 202 T HA 0.173 4.526 4.350 0.005 0.000 0.298 202 T C 0.222 174.826 174.700 -0.159 0.000 0.966 202 T CA 0.357 62.352 62.100 -0.174 0.000 1.141 202 T CB 1.131 69.811 68.868 -0.313 0.000 0.905 202 T HN -0.106 nan 8.240 nan 0.000 0.535 203 K N 2.616 122.817 120.400 -0.332 0.000 2.471 203 K HA 0.519 4.842 4.320 0.005 0.000 0.252 203 K C -1.641 174.806 176.600 -0.255 0.000 0.938 203 K CA -0.649 55.548 56.287 -0.149 0.000 0.796 203 K CB 1.205 33.679 32.500 -0.042 0.000 1.161 203 K HN 0.481 nan 8.250 nan 0.000 0.425 204 Y N 2.562 123.028 120.300 0.277 0.000 2.512 204 Y HA 0.549 5.101 4.550 0.005 0.000 0.348 204 Y C -0.713 175.367 175.900 0.300 0.000 0.990 204 Y CA -1.115 57.156 58.100 0.284 0.000 1.033 204 Y CB 1.496 40.093 38.460 0.229 0.000 1.259 204 Y HN 0.288 nan 8.280 nan 0.000 0.461 205 I N 1.716 122.563 120.570 0.461 0.000 2.517 205 I HA 0.361 4.534 4.170 0.005 0.000 0.280 205 I C -0.465 175.833 176.117 0.300 0.000 1.061 205 I CA -0.463 61.052 61.300 0.359 0.000 1.091 205 I CB 1.841 40.002 38.000 0.267 0.000 1.205 205 I HN 0.578 nan 8.210 nan 0.000 0.459 206 T N 3.071 117.769 114.554 0.240 0.000 2.841 206 T HA 0.746 5.099 4.350 0.005 0.000 0.283 206 T C -0.507 174.067 174.700 -0.211 0.000 1.000 206 T CA -0.617 61.467 62.100 -0.027 0.000 0.977 206 T CB 1.463 70.183 68.868 -0.247 0.000 0.979 206 T HN 0.336 nan 8.240 nan 0.000 0.446 207 Q N 2.448 122.077 119.800 -0.285 0.000 2.256 207 Q HA 0.576 4.919 4.340 0.005 0.000 0.257 207 Q C -1.212 174.471 176.000 -0.530 0.000 0.936 207 Q CA -0.307 55.349 55.803 -0.245 0.000 0.903 207 Q CB 1.313 30.033 28.738 -0.030 0.000 1.263 207 Q HN 0.728 nan 8.270 nan 0.000 0.440 208 F N 3.465 123.382 119.950 -0.055 0.000 2.363 208 F HA 0.338 4.868 4.527 0.005 0.000 0.366 208 F C -1.605 174.162 175.800 -0.056 0.000 1.083 208 F CA -2.128 55.814 58.000 -0.097 0.000 1.176 208 F CB 1.321 40.202 39.000 -0.199 0.000 1.432 208 F HN 0.533 nan 8.300 nan 0.000 0.482 209 P HA -0.185 nan 4.420 nan 0.000 0.217 209 P C 1.090 178.404 177.300 0.023 0.000 1.148 209 P CA 1.498 64.628 63.100 0.051 0.000 0.828 209 P CB 0.376 32.111 31.700 0.059 0.000 0.783 210 E N -1.621 118.601 120.200 0.036 0.000 2.140 210 E HA -0.048 4.305 4.350 0.005 0.000 0.191 210 E C 1.689 178.278 176.600 -0.018 0.000 0.973 210 E CA 1.453 57.856 56.400 0.004 0.000 0.829 210 E CB -0.540 29.168 29.700 0.014 0.000 0.781 210 E HN 0.298 nan 8.360 nan 0.000 0.466 211 T N -1.744 112.803 114.554 -0.011 0.000 3.069 211 T HA 0.122 4.475 4.350 0.005 0.000 0.252 211 T C 0.198 174.860 174.700 -0.064 0.000 1.053 211 T CA -0.417 61.650 62.100 -0.055 0.000 0.964 211 T CB 0.115 68.930 68.868 -0.089 0.000 1.005 211 T HN -0.173 nan 8.240 nan 0.000 0.532 212 K N 1.637 122.020 120.400 -0.029 0.000 3.278 212 K HA -0.149 4.174 4.320 0.005 0.000 0.270 212 K C -0.700 175.880 176.600 -0.035 0.000 0.955 212 K CA 0.808 57.060 56.287 -0.058 0.000 0.723 212 K CB -2.017 30.406 32.500 -0.129 0.000 1.382 212 K HN 0.758 nan 8.250 nan 0.000 0.461 213 E N -0.028 120.237 120.200 0.109 0.000 2.256 213 E HA 0.632 4.985 4.350 0.005 0.000 0.267 213 E C -0.065 176.773 176.600 0.398 0.000 0.892 213 E CA -0.952 55.605 56.400 0.261 0.000 0.775 213 E CB 1.669 31.539 29.700 0.283 0.000 1.207 213 E HN 0.127 nan 8.360 nan 0.000 0.420 214 I N 1.771 122.643 120.570 0.503 0.000 2.466 214 I HA 0.373 4.546 4.170 0.005 0.000 0.289 214 I C -1.236 175.395 176.117 0.856 0.000 1.026 214 I CA -0.705 60.892 61.300 0.495 0.000 1.078 214 I CB 1.107 39.335 38.000 0.380 0.000 1.249 214 I HN 0.330 nan 8.210 nan 0.000 0.429 215 W N 4.407 125.979 121.300 0.454 0.000 2.702 215 W HA 0.670 5.332 4.660 0.004 0.000 0.331 215 W C 0.045 176.840 176.519 0.459 0.000 1.049 215 W CA -1.200 56.464 57.345 0.532 0.000 1.230 215 W CB 1.873 31.697 29.460 0.606 0.000 1.408 215 W HN 0.261 nan 8.180 nan 0.000 0.492 216 S N 2.725 118.890 115.700 0.775 0.000 2.536 216 S HA 0.749 5.222 4.470 0.005 0.000 0.287 216 S C -2.077 172.948 174.600 0.708 0.000 1.101 216 S CA -0.430 58.156 58.200 0.644 0.000 0.950 216 S CB 1.051 64.606 63.200 0.591 0.000 1.056 216 S HN 0.347 nan 8.310 nan 0.000 0.481 217 Y N 2.187 122.748 120.300 0.435 0.000 2.401 217 Y HA 0.550 5.103 4.550 0.005 0.000 0.330 217 Y C 0.485 176.508 175.900 0.205 0.000 1.071 217 Y CA 0.349 58.652 58.100 0.339 0.000 1.049 217 Y CB 1.371 40.009 38.460 0.297 0.000 1.239 217 Y HN 1.053 nan 8.280 nan 0.000 0.437 218 G N 2.759 111.129 108.800 -0.718 0.000 2.218 218 G HA2 -0.195 3.768 3.960 0.005 0.000 0.216 218 G HA3 -0.195 3.768 3.960 0.005 0.000 0.216 218 G C -0.246 174.546 174.900 -0.180 0.000 0.994 218 G CA 0.068 44.750 45.100 -0.698 0.000 0.637 218 G HN 1.005 nan 8.290 nan 0.000 0.505 219 S N -0.300 115.414 115.700 0.023 0.000 2.500 219 S HA 0.631 5.104 4.470 0.005 0.000 0.301 219 S C 0.994 175.773 174.600 0.299 0.000 1.092 219 S CA 0.746 59.063 58.200 0.196 0.000 1.030 219 S CB 1.507 64.852 63.200 0.241 0.000 1.031 219 S HN 1.323 nan 8.310 nan 0.000 0.483 220 G N 2.511 111.455 108.800 0.241 0.000 3.337 220 G HA2 0.153 4.116 3.960 0.005 0.000 0.246 220 G HA3 0.153 4.116 3.960 0.005 0.000 0.246 220 G C -0.330 174.744 174.900 0.291 0.000 1.131 220 G CA -0.036 45.084 45.100 0.034 0.000 0.773 220 G HN 0.645 nan 8.290 nan 0.000 0.544 221 Y N 1.747 122.283 120.300 0.393 0.000 2.336 221 Y HA 0.425 4.979 4.550 0.005 0.000 0.335 221 Y C 1.530 177.609 175.900 0.297 0.000 1.046 221 Y CA 0.375 58.727 58.100 0.420 0.000 1.198 221 Y CB 1.027 39.674 38.460 0.313 0.000 1.182 221 Y HN 0.317 nan 8.280 nan 0.000 0.502 222 G N 4.111 112.642 108.800 -0.447 0.000 2.678 222 G HA2 -0.453 3.510 3.960 0.005 0.000 0.362 222 G HA3 -0.453 3.510 3.960 0.005 0.000 0.362 222 G C 1.440 176.274 174.900 -0.110 0.000 1.169 222 G CA 0.955 45.904 45.100 -0.251 0.000 0.933 222 G HN 1.236 nan 8.290 nan 0.000 0.587 223 G N -0.018 108.872 108.800 0.150 0.000 2.443 223 G HA2 -0.135 3.828 3.960 0.005 0.000 0.219 223 G HA3 -0.135 3.828 3.960 0.005 0.000 0.219 223 G C 1.566 176.552 174.900 0.143 0.000 1.131 223 G CA 1.446 46.629 45.100 0.138 0.000 0.775 223 G HN 0.592 nan 8.290 nan 0.000 0.547 224 N N 0.973 119.791 118.700 0.197 0.000 2.289 224 N HA -0.015 4.729 4.740 0.005 0.000 0.184 224 N C 2.006 177.609 175.510 0.156 0.000 1.016 224 N CA 1.318 54.495 53.050 0.212 0.000 0.872 224 N CB -0.029 38.622 38.487 0.273 0.000 0.973 224 N HN 0.402 nan 8.380 nan 0.000 0.433 225 A N -0.122 122.704 122.820 0.010 0.000 2.009 225 A HA 0.326 4.649 4.320 0.005 0.000 0.197 225 A C 0.782 178.163 177.584 -0.338 0.000 1.471 225 A CA -0.260 51.619 52.037 -0.264 0.000 0.973 225 A CB 0.311 19.176 19.000 -0.225 0.000 1.020 225 A HN 0.086 nan 8.150 nan 0.000 0.476 226 I N 2.339 122.752 120.570 -0.263 0.000 2.243 226 I HA 0.068 4.241 4.170 0.005 0.000 0.297 226 I C 0.586 176.590 176.117 -0.189 0.000 1.161 226 I CA -0.471 60.648 61.300 -0.301 0.000 1.298 226 I CB 0.760 38.486 38.000 -0.457 0.000 1.475 226 I HN 0.110 nan 8.210 nan 0.000 0.561 227 L N 4.405 125.563 121.223 -0.107 0.000 2.191 227 L HA -0.150 4.193 4.340 0.005 0.000 0.212 227 L C 2.630 179.558 176.870 0.095 0.000 1.103 227 L CA 1.556 56.430 54.840 0.057 0.000 0.769 227 L CB -1.000 41.172 42.059 0.188 0.000 0.908 227 L HN 0.673 nan 8.230 nan 0.000 0.438 228 A N -0.858 121.882 122.820 -0.133 0.000 2.070 228 A HA -0.177 4.146 4.320 0.005 0.000 0.220 228 A C 1.484 179.051 177.584 -0.029 0.000 1.159 228 A CA 0.773 52.744 52.037 -0.110 0.000 0.656 228 A CB -0.462 18.255 19.000 -0.472 0.000 0.800 228 A HN 0.289 nan 8.150 nan 0.000 0.453 229 K N -0.101 120.252 120.400 -0.078 0.000 2.234 229 K HA 0.351 4.674 4.320 0.005 0.000 0.277 229 K C 0.576 177.187 176.600 0.019 0.000 1.038 229 K CA -0.376 55.865 56.287 -0.077 0.000 0.888 229 K CB 0.531 32.912 32.500 -0.198 0.000 1.091 229 K HN 0.120 nan 8.250 nan 0.000 0.467 230 K N 1.906 122.320 120.400 0.024 0.000 10.062 230 K HA -0.296 4.027 4.320 0.005 0.000 0.515 230 K C 1.518 178.239 176.600 0.201 0.000 0.373 230 K CA 2.184 58.493 56.287 0.037 0.000 1.953 230 K CB -2.587 29.956 32.500 0.073 0.000 0.729 230 K HN 0.737 nan 8.250 nan 0.000 1.124 231 C N 0.266 119.703 119.300 0.228 0.000 2.413 231 C HA -0.123 4.340 4.460 0.005 0.000 0.276 231 C C 2.542 177.747 174.990 0.360 0.000 1.248 231 C CA 1.220 60.400 59.018 0.271 0.000 1.742 231 C CB -0.997 26.896 27.740 0.255 0.000 2.017 231 C HN 0.543 nan 8.230 nan 0.000 0.481 232 Y N 0.304 120.743 120.300 0.231 0.000 2.472 232 Y HA 0.242 4.795 4.550 0.005 0.000 0.288 232 Y C 2.568 178.705 175.900 0.395 0.000 1.154 232 Y CA 0.574 58.862 58.100 0.314 0.000 1.238 232 Y CB -0.342 38.338 38.460 0.366 0.000 1.287 232 Y HN 0.115 nan 8.280 nan 0.000 0.524 233 A N 0.568 123.697 122.820 0.515 0.000 2.019 233 A HA -0.090 4.233 4.320 0.005 0.000 0.219 233 A C 1.736 179.683 177.584 0.604 0.000 1.164 233 A CA 1.592 53.953 52.037 0.539 0.000 0.644 233 A CB -0.570 18.528 19.000 0.164 0.000 0.805 233 A HN 0.552 nan 8.150 nan 0.000 0.449 234 L N -2.665 118.786 121.223 0.379 0.000 2.590 234 L HA 0.154 4.497 4.340 0.005 0.000 0.181 234 L C 2.643 179.693 176.870 0.299 0.000 1.134 234 L CA 0.133 55.158 54.840 0.309 0.000 0.850 234 L CB -0.446 41.691 42.059 0.131 0.000 1.172 234 L HN 0.126 nan 8.230 nan 0.000 0.498 235 R N 0.418 121.091 120.500 0.288 0.000 2.061 235 R HA -0.075 4.268 4.340 0.005 0.000 0.230 235 R C 2.182 178.609 176.300 0.212 0.000 1.140 235 R CA 1.192 57.435 56.100 0.238 0.000 0.940 235 R CB -0.417 30.011 30.300 0.213 0.000 0.839 235 R HN 0.158 nan 8.270 nan 0.000 0.429 236 I N 1.404 122.105 120.570 0.218 0.000 2.151 236 I HA -0.259 3.914 4.170 0.005 0.000 0.243 236 I C 2.609 178.819 176.117 0.156 0.000 1.080 236 I CA 1.540 62.930 61.300 0.149 0.000 1.339 236 I CB -1.587 36.425 38.000 0.022 0.000 1.039 236 I HN 0.201 nan 8.210 nan 0.000 0.409 237 A N 1.121 124.105 122.820 0.273 0.000 1.908 237 A HA -0.231 4.092 4.320 0.005 0.000 0.218 237 A C 2.565 180.049 177.584 -0.165 0.000 1.181 237 A CA 2.647 54.744 52.037 0.100 0.000 0.627 237 A CB -0.977 18.159 19.000 0.227 0.000 0.818 237 A HN 0.583 nan 8.150 nan 0.000 0.445 238 S N -0.096 115.624 115.700 0.033 0.000 2.365 238 S HA -0.184 4.289 4.470 0.005 0.000 0.225 238 S C 1.752 176.340 174.600 -0.019 0.000 1.039 238 S CA 1.708 59.967 58.200 0.097 0.000 1.033 238 S CB -1.200 62.208 63.200 0.347 0.000 0.887 238 S HN 0.303 nan 8.310 nan 0.000 0.447 239 V N 2.283 122.196 119.914 -0.002 0.000 2.343 239 V HA -0.149 3.974 4.120 0.005 0.000 0.247 239 V C 2.664 178.585 176.094 -0.287 0.000 1.051 239 V CA 2.176 64.362 62.300 -0.190 0.000 1.036 239 V CB -0.878 30.908 31.823 -0.060 0.000 0.654 239 V HN 0.468 nan 8.190 nan 0.000 0.451 240 M N -0.047 119.409 119.600 -0.241 0.000 2.117 240 M HA -0.158 4.325 4.480 0.005 0.000 0.262 240 M C 2.422 178.381 176.300 -0.569 0.000 1.065 240 M CA 2.124 57.276 55.300 -0.247 0.000 1.114 240 M CB -0.628 31.949 32.600 -0.039 0.000 1.361 240 M HN 0.397 nan 8.290 nan 0.000 0.408 241 A N 0.765 122.904 122.820 -1.135 0.000 1.908 241 A HA -0.243 4.081 4.320 0.005 0.000 0.218 241 A C 2.103 179.150 177.584 -0.894 0.000 1.181 241 A CA 2.323 53.268 52.037 -1.820 0.000 0.627 241 A CB -0.706 17.362 19.000 -1.552 0.000 0.818 241 A HN 0.525 nan 8.150 nan 0.000 0.445 242 R N -0.028 120.133 120.500 -0.564 0.000 2.119 242 R HA -0.017 4.326 4.340 0.005 0.000 0.222 242 R C 1.742 177.842 176.300 -0.333 0.000 1.088 242 R CA 1.646 57.510 56.100 -0.394 0.000 0.984 242 R CB -0.492 29.499 30.300 -0.515 0.000 0.884 242 R HN 0.581 nan 8.270 nan 0.000 0.447 243 E N 0.118 120.115 120.200 -0.338 0.000 2.209 243 E HA -0.192 4.161 4.350 0.005 0.000 0.196 243 E C 0.780 177.303 176.600 -0.130 0.000 0.993 243 E CA 1.684 57.961 56.400 -0.206 0.000 0.819 243 E CB 0.152 29.756 29.700 -0.160 0.000 0.745 243 E HN 0.603 nan 8.360 nan 0.000 0.477 244 E N -2.077 118.033 120.200 -0.149 0.000 2.676 244 E HA 0.216 4.569 4.350 0.005 0.000 0.225 244 E C 0.487 177.135 176.600 0.080 0.000 0.944 244 E CA 0.292 56.705 56.400 0.022 0.000 1.156 244 E CB 1.802 31.634 29.700 0.221 0.000 1.117 244 E HN 0.183 nan 8.360 nan 0.000 0.523 245 G N 1.728 110.494 108.800 -0.056 0.000 2.173 245 G HA2 -0.145 3.819 3.960 0.005 0.000 0.174 245 G HA3 -0.145 3.819 3.960 0.005 0.000 0.174 245 G C -0.279 174.713 174.900 0.153 0.000 1.025 245 G CA -0.002 45.118 45.100 0.034 0.000 0.706 245 G HN 0.212 nan 8.290 nan 0.000 0.499 246 W N -1.672 119.591 121.300 -0.062 0.000 3.624 246 W HA 0.855 5.518 4.660 0.005 0.000 0.359 246 W C -0.414 176.060 176.519 -0.074 0.000 1.122 246 W CA -1.605 55.702 57.345 -0.063 0.000 1.009 246 W CB 0.646 30.078 29.460 -0.047 0.000 1.586 246 W HN 0.101 nan 8.180 nan 0.000 0.610 247 M N 1.579 121.323 119.600 0.240 0.000 2.327 247 M HA 0.552 5.035 4.480 0.005 0.000 0.298 247 M C -0.713 175.739 176.300 0.254 0.000 1.065 247 M CA -0.637 54.707 55.300 0.072 0.000 0.916 247 M CB 2.375 34.980 32.600 0.008 0.000 1.630 247 M HN 0.430 nan 8.290 nan 0.000 0.442 248 A N 3.062 125.951 122.820 0.115 0.000 2.258 248 A HA 0.754 5.077 4.320 0.005 0.000 0.316 248 A C -0.702 177.142 177.584 0.433 0.000 1.279 248 A CA -0.480 51.723 52.037 0.278 0.000 0.876 248 A CB 0.606 19.631 19.000 0.042 0.000 1.170 248 A HN 0.738 nan 8.150 nan 0.000 0.520 249 E N 0.938 121.447 120.200 0.514 0.000 2.343 249 E HA 0.183 4.536 4.350 0.005 0.000 0.270 249 E C -1.084 175.791 176.600 0.460 0.000 0.895 249 E CA -0.584 56.114 56.400 0.497 0.000 0.767 249 E CB 1.519 31.508 29.700 0.480 0.000 1.248 249 E HN 0.787 nan 8.360 nan 0.000 0.440 250 H N 2.386 121.637 119.070 0.303 0.000 2.855 250 H HA 0.290 4.849 4.556 0.005 0.000 0.238 250 H C -0.658 174.754 175.328 0.139 0.000 1.847 250 H CA -0.007 56.154 56.048 0.189 0.000 1.368 250 H CB -0.071 29.803 29.762 0.186 0.000 1.758 250 H HN 0.194 nan 8.280 nan 0.000 0.546 251 M N 3.907 123.592 119.600 0.143 0.000 2.327 251 M HA 0.163 4.646 4.480 0.005 0.000 0.298 251 M C -0.652 175.650 176.300 0.003 0.000 1.065 251 M CA -1.267 54.039 55.300 0.010 0.000 0.916 251 M CB 2.611 35.255 32.600 0.074 0.000 1.630 251 M HN 0.294 nan 8.290 nan 0.000 0.442 252 L N 1.714 122.897 121.223 -0.066 0.000 2.482 252 L HA 0.552 4.895 4.340 0.005 0.000 0.273 252 L C -0.975 175.911 176.870 0.027 0.000 1.228 252 L CA 0.357 55.194 54.840 -0.005 0.000 0.827 252 L CB 0.066 42.117 42.059 -0.013 0.000 1.099 252 L HN 0.558 nan 8.230 nan 0.000 0.494 253 I N 2.760 123.370 120.570 0.068 0.000 2.465 253 I HA 0.517 4.690 4.170 0.005 0.000 0.291 253 I C -0.889 175.302 176.117 0.123 0.000 1.014 253 I CA -0.525 60.831 61.300 0.092 0.000 1.093 253 I CB 1.879 39.931 38.000 0.087 0.000 1.267 253 I HN 0.599 nan 8.210 nan 0.000 0.431 254 L N 6.760 128.073 121.223 0.150 0.000 2.410 254 L HA 0.504 4.847 4.340 0.005 0.000 0.270 254 L C -0.774 176.216 176.870 0.201 0.000 0.983 254 L CA -0.383 54.548 54.840 0.152 0.000 0.822 254 L CB 1.661 43.788 42.059 0.114 0.000 1.285 254 L HN 0.524 nan 8.230 nan 0.000 0.409 255 K N 5.801 126.317 120.400 0.194 0.000 2.248 255 K HA 0.469 4.792 4.320 0.005 0.000 0.281 255 K C -1.542 175.105 176.600 0.078 0.000 1.054 255 K CA -0.484 55.858 56.287 0.092 0.000 0.903 255 K CB 0.639 33.213 32.500 0.124 0.000 1.077 255 K HN 0.773 nan 8.250 nan 0.000 0.474 256 L N 6.809 128.084 121.223 0.085 0.000 2.307 256 L HA 0.469 4.812 4.340 0.005 0.000 0.284 256 L C -0.226 176.770 176.870 0.209 0.000 1.023 256 L CA -0.956 54.013 54.840 0.214 0.000 0.810 256 L CB 1.441 43.689 42.059 0.315 0.000 1.231 256 L HN 0.577 nan 8.230 nan 0.000 0.423 257 I N 2.653 123.316 120.570 0.156 0.000 2.378 257 I HA 0.290 4.463 4.170 0.005 0.000 0.291 257 I C -0.265 175.682 176.117 -0.283 0.000 0.992 257 I CA -0.962 60.327 61.300 -0.019 0.000 1.154 257 I CB 1.583 39.549 38.000 -0.057 0.000 1.315 257 I HN 0.580 nan 8.210 nan 0.000 0.448 258 N N 6.604 124.988 118.700 -0.526 0.000 2.483 258 N HA 0.304 5.047 4.740 0.005 0.000 0.269 258 N C -2.226 172.799 175.510 -0.808 0.000 1.209 258 N CA -1.936 50.351 53.050 -1.272 0.000 0.969 258 N CB 0.162 38.130 38.487 -0.866 0.000 1.173 258 N HN 0.182 nan 8.380 nan 0.000 0.475 259 P HA -0.248 nan 4.420 nan 0.000 0.216 259 P C 0.730 177.876 177.300 -0.257 0.000 1.167 259 P CA 2.023 64.882 63.100 -0.400 0.000 0.933 259 P CB 0.031 31.564 31.700 -0.279 0.000 0.793 260 E N -1.916 118.151 120.200 -0.221 0.000 2.233 260 E HA -0.095 4.258 4.350 0.005 0.000 0.199 260 E C 1.592 178.108 176.600 -0.140 0.000 1.004 260 E CA 1.681 57.999 56.400 -0.137 0.000 0.819 260 E CB -0.912 28.731 29.700 -0.095 0.000 0.738 260 E HN 0.426 nan 8.360 nan 0.000 0.478 261 G N -0.552 108.137 108.800 -0.186 0.000 2.184 261 G HA2 -0.262 3.701 3.960 0.005 0.000 0.206 261 G HA3 -0.262 3.701 3.960 0.005 0.000 0.206 261 G C 0.233 175.032 174.900 -0.169 0.000 0.995 261 G CA -0.029 44.976 45.100 -0.158 0.000 0.651 261 G HN 0.153 nan 8.290 nan 0.000 0.511 262 K N 1.029 121.306 120.400 -0.205 0.000 2.326 262 K HA 0.615 4.938 4.320 0.005 0.000 0.275 262 K C 0.353 176.726 176.600 -0.378 0.000 1.018 262 K CA 0.397 56.505 56.287 -0.300 0.000 0.962 262 K CB 0.909 33.192 32.500 -0.361 0.000 0.953 262 K HN 0.536 nan 8.250 nan 0.000 0.475 263 A N 4.580 127.146 122.820 -0.424 0.000 2.260 263 A HA 0.448 4.771 4.320 0.005 0.000 0.314 263 A C -1.456 175.820 177.584 -0.512 0.000 1.257 263 A CA -0.483 51.341 52.037 -0.354 0.000 0.871 263 A CB 0.159 19.023 19.000 -0.226 0.000 1.166 263 A HN 0.651 nan 8.150 nan 0.000 0.522 264 Y N 1.150 121.280 120.300 -0.284 0.000 2.562 264 Y HA 0.588 5.141 4.550 0.005 0.000 0.343 264 Y C 0.301 175.929 175.900 -0.453 0.000 1.025 264 Y CA -0.524 57.422 58.100 -0.257 0.000 1.082 264 Y CB 2.031 40.449 38.460 -0.070 0.000 1.264 264 Y HN 0.650 nan 8.280 nan 0.000 0.478 265 H N 2.721 121.896 119.070 0.173 0.000 2.782 265 H HA 0.516 5.075 4.556 0.005 0.000 0.347 265 H C -1.372 173.999 175.328 0.072 0.000 1.038 265 H CA -0.632 55.472 56.048 0.093 0.000 1.255 265 H CB 2.223 32.005 29.762 0.033 0.000 1.623 265 H HN 0.538 nan 8.280 nan 0.000 0.525 266 I N 1.952 122.627 120.570 0.174 0.000 2.465 266 I HA 0.469 4.642 4.170 0.005 0.000 0.291 266 I C 0.092 176.260 176.117 0.084 0.000 1.014 266 I CA -0.665 60.694 61.300 0.097 0.000 1.093 266 I CB 1.900 39.933 38.000 0.055 0.000 1.267 266 I HN 0.566 nan 8.210 nan 0.000 0.431 267 A N 4.881 127.733 122.820 0.053 0.000 2.306 267 A HA 0.962 5.285 4.320 0.005 0.000 0.330 267 A C -0.566 176.971 177.584 -0.079 0.000 1.146 267 A CA -0.415 51.632 52.037 0.016 0.000 0.827 267 A CB 1.227 20.255 19.000 0.048 0.000 1.178 267 A HN 0.838 nan 8.150 nan 0.000 0.490 268 A N 0.293 123.014 122.820 -0.166 0.000 2.488 268 A HA 0.739 5.062 4.320 0.005 0.000 0.298 268 A C -0.459 176.794 177.584 -0.551 0.000 1.044 268 A CA 0.155 51.942 52.037 -0.416 0.000 0.693 268 A CB 1.210 19.890 19.000 -0.532 0.000 1.272 268 A HN 2.280 nan 8.150 nan 0.000 0.402 269 A N 2.136 124.623 122.820 -0.555 0.000 2.316 269 A HA 0.757 5.081 4.320 0.005 0.000 0.324 269 A C -0.862 176.546 177.584 -0.293 0.000 1.375 269 A CA -0.260 51.590 52.037 -0.313 0.000 0.882 269 A CB -0.347 18.709 19.000 0.092 0.000 1.152 269 A HN 0.680 nan 8.150 nan 0.000 0.512 270 F N 2.341 122.300 119.950 0.016 0.000 2.522 270 F HA 0.491 5.021 4.527 0.005 0.000 0.324 270 F C -1.901 173.903 175.800 0.006 0.000 1.077 270 F CA -2.584 55.426 58.000 0.016 0.000 0.944 270 F CB 2.461 41.475 39.000 0.024 0.000 1.175 270 F HN 0.329 nan 8.300 nan 0.000 0.468 271 P HA 0.071 nan 4.420 nan 0.000 0.235 271 P C -0.685 176.686 177.300 0.119 0.000 1.725 271 P CA 0.235 63.426 63.100 0.152 0.000 0.894 271 P CB 0.415 32.168 31.700 0.089 0.000 1.704 272 S N -0.767 115.017 115.700 0.140 0.000 2.572 272 S HA 0.592 5.065 4.470 0.005 0.000 0.274 272 S C 1.092 175.757 174.600 0.109 0.000 1.150 272 S CA -0.249 58.012 58.200 0.103 0.000 0.944 272 S CB 1.076 64.323 63.200 0.079 0.000 1.071 272 S HN 0.017 nan 8.310 nan 0.000 0.479 273 A N 2.990 125.855 122.820 0.074 0.000 1.877 273 A HA 0.067 4.390 4.320 0.005 0.000 0.216 273 A C 1.082 178.682 177.584 0.026 0.000 1.186 273 A CA 1.165 53.224 52.037 0.036 0.000 0.620 273 A CB -1.217 17.782 19.000 -0.000 0.000 0.822 273 A HN 0.881 nan 8.150 nan 0.000 0.443 274 C N -1.212 118.102 119.300 0.024 0.000 2.662 274 C HA 0.538 5.001 4.460 0.005 0.000 0.420 274 C C 1.832 176.887 174.990 0.108 0.000 1.314 274 C CA 0.171 59.219 59.018 0.049 0.000 1.963 274 C CB -0.078 27.684 27.740 0.037 0.000 2.686 274 C HN 1.190 nan 8.230 nan 0.000 0.609 275 G N 2.426 111.310 108.800 0.140 0.000 4.024 275 G HA2 -0.272 3.691 3.960 0.005 0.000 0.206 275 G HA3 -0.272 3.691 3.960 0.005 0.000 0.206 275 G C 1.048 176.162 174.900 0.358 0.000 1.608 275 G CA 0.515 45.754 45.100 0.231 0.000 1.221 275 G HN 0.598 nan 8.290 nan 0.000 0.623 276 K N 0.740 121.335 120.400 0.325 0.000 1.991 276 K HA -0.019 4.305 4.320 0.005 0.000 0.212 276 K C 2.996 179.665 176.600 0.116 0.000 1.049 276 K CA 3.133 59.555 56.287 0.225 0.000 0.932 276 K CB -0.702 31.833 32.500 0.058 0.000 0.717 276 K HN 0.715 nan 8.250 nan 0.000 0.441 277 T N -0.745 113.837 114.554 0.047 0.000 2.777 277 T HA -0.085 4.268 4.350 0.005 0.000 0.266 277 T C 1.601 176.297 174.700 -0.006 0.000 1.040 277 T CA 1.353 63.434 62.100 -0.032 0.000 1.141 277 T CB -0.467 68.353 68.868 -0.081 0.000 0.868 277 T HN 0.156 nan 8.240 nan 0.000 0.444 278 N N 1.558 120.287 118.700 0.049 0.000 2.106 278 N HA -0.024 4.719 4.740 0.005 0.000 0.188 278 N C 1.922 177.467 175.510 0.058 0.000 1.029 278 N CA 1.169 54.250 53.050 0.052 0.000 0.848 278 N CB -0.483 38.049 38.487 0.075 0.000 1.007 278 N HN 0.277 nan 8.380 nan 0.000 0.423 279 L N 1.652 122.958 121.223 0.138 0.000 2.042 279 L HA -0.098 4.245 4.340 0.005 0.000 0.210 279 L C 2.365 179.303 176.870 0.114 0.000 1.076 279 L CA 1.489 56.434 54.840 0.175 0.000 0.749 279 L CB -0.690 41.627 42.059 0.431 0.000 0.893 279 L HN 0.129 nan 8.230 nan 0.000 0.432 280 A N -0.730 122.141 122.820 0.086 0.000 1.948 280 A HA -0.223 4.100 4.320 0.005 0.000 0.220 280 A C 2.020 179.606 177.584 0.003 0.000 1.177 280 A CA 2.282 54.339 52.037 0.034 0.000 0.636 280 A CB -0.545 18.449 19.000 -0.010 0.000 0.815 280 A HN 0.557 nan 8.150 nan 0.000 0.449 281 M N -0.856 118.728 119.600 -0.026 0.000 2.560 281 M HA 0.344 4.827 4.480 0.005 0.000 0.297 281 M C 0.114 176.410 176.300 -0.007 0.000 1.201 281 M CA -0.217 55.059 55.300 -0.041 0.000 0.973 281 M CB 0.115 32.652 32.600 -0.106 0.000 1.401 281 M HN 0.364 nan 8.290 nan 0.000 0.497 282 I N 1.690 122.266 120.570 0.011 0.000 2.752 282 I HA -0.049 4.124 4.170 0.005 0.000 0.289 282 I C -0.041 176.085 176.117 0.015 0.000 1.197 282 I CA 1.036 62.339 61.300 0.006 0.000 1.432 282 I CB 0.806 38.801 38.000 -0.008 0.000 1.359 282 I HN 0.093 nan 8.210 nan 0.000 0.571 283 T N 9.060 123.620 114.554 0.009 0.000 2.738 283 T HA 0.364 4.717 4.350 0.005 0.000 0.298 283 T C -2.237 172.469 174.700 0.010 0.000 0.962 283 T CA -0.952 61.160 62.100 0.020 0.000 0.972 283 T CB 0.823 69.704 68.868 0.023 0.000 0.928 283 T HN 0.423 nan 8.240 nan 0.000 0.474 284 P HA 0.164 nan 4.420 nan 0.000 0.269 284 P C 0.589 177.899 177.300 0.016 0.000 1.217 284 P CA -0.130 62.981 63.100 0.019 0.000 0.783 284 P CB 0.524 32.289 31.700 0.109 0.000 0.898 285 T N 0.293 114.836 114.554 -0.019 0.000 3.145 285 T HA 0.372 4.725 4.350 0.005 0.000 0.281 285 T C 0.045 174.743 174.700 -0.004 0.000 1.003 285 T CA -0.079 62.004 62.100 -0.029 0.000 0.901 285 T CB -0.433 68.387 68.868 -0.080 0.000 1.112 285 T HN 0.181 nan 8.240 nan 0.000 0.535 286 I N 2.567 123.162 120.570 0.042 0.000 2.545 286 I HA 0.425 4.598 4.170 0.005 0.000 0.292 286 I C -2.523 173.723 176.117 0.215 0.000 1.040 286 I CA -2.807 58.552 61.300 0.098 0.000 1.068 286 I CB 2.621 40.662 38.000 0.068 0.000 1.251 286 I HN -0.043 nan 8.210 nan 0.000 0.424 287 P HA 0.140 nan 4.420 nan 0.000 0.266 287 P C 0.754 178.163 177.300 0.182 0.000 1.195 287 P CA 0.656 63.846 63.100 0.151 0.000 0.768 287 P CB 0.671 32.431 31.700 0.101 0.000 0.838 288 G N 0.269 109.120 108.800 0.085 0.000 2.336 288 G HA2 -0.225 3.738 3.960 0.005 0.000 0.233 288 G HA3 -0.225 3.738 3.960 0.005 0.000 0.233 288 G C -0.376 174.460 174.900 -0.107 0.000 1.053 288 G CA -0.522 44.555 45.100 -0.040 0.000 0.625 288 G HN 0.417 nan 8.290 nan 0.000 0.511 289 W N 1.022 122.333 121.300 0.017 0.000 2.316 289 W HA 0.669 5.332 4.660 0.005 0.000 0.321 289 W C 0.604 177.132 176.519 0.015 0.000 1.203 289 W CA 0.669 58.025 57.345 0.019 0.000 1.214 289 W CB 1.636 31.106 29.460 0.018 0.000 1.169 289 W HN 0.239 nan 8.180 nan 0.000 0.561 290 T N 1.298 116.016 114.554 0.273 0.000 3.012 290 T HA 0.722 5.075 4.350 0.005 0.000 0.330 290 T C -1.586 173.208 174.700 0.157 0.000 1.321 290 T CA -0.511 61.681 62.100 0.154 0.000 1.067 290 T CB 0.792 69.702 68.868 0.071 0.000 1.235 290 T HN 0.663 nan 8.240 nan 0.000 0.479 291 A N 3.403 126.294 122.820 0.119 0.000 2.549 291 A HA 0.825 5.148 4.320 0.005 0.000 0.297 291 A C -1.382 176.254 177.584 0.086 0.000 1.061 291 A CA -0.740 51.364 52.037 0.111 0.000 0.690 291 A CB 1.839 20.909 19.000 0.116 0.000 1.287 291 A HN 0.732 nan 8.150 nan 0.000 0.402 292 Q N 0.589 120.443 119.800 0.091 0.000 2.394 292 Q HA 0.589 4.932 4.340 0.005 0.000 0.273 292 Q C -1.041 175.021 176.000 0.104 0.000 1.089 292 Q CA -1.080 54.776 55.803 0.089 0.000 0.812 292 Q CB 2.732 31.526 28.738 0.093 0.000 1.353 292 Q HN 0.518 nan 8.270 nan 0.000 0.438 293 V N 2.300 122.271 119.914 0.095 0.000 2.488 293 V HA 0.040 4.163 4.120 0.005 0.000 0.277 293 V C 0.809 176.977 176.094 0.123 0.000 1.046 293 V CA 0.051 62.418 62.300 0.111 0.000 0.986 293 V CB 1.138 33.048 31.823 0.145 0.000 0.989 293 V HN 0.743 nan 8.190 nan 0.000 0.475 294 V N 3.555 123.555 119.914 0.143 0.000 2.575 294 V HA 0.419 4.542 4.120 0.005 0.000 0.242 294 V C 1.037 177.212 176.094 0.135 0.000 1.045 294 V CA 1.389 63.777 62.300 0.147 0.000 1.065 294 V CB 0.121 32.030 31.823 0.144 0.000 0.717 294 V HN 0.982 nan 8.190 nan 0.000 0.467 295 G N 0.178 109.067 108.800 0.148 0.000 2.646 295 G HA2 0.498 4.461 3.960 0.005 0.000 0.291 295 G HA3 0.498 4.461 3.960 0.005 0.000 0.291 295 G C -1.398 173.605 174.900 0.172 0.000 1.445 295 G CA 0.333 45.544 45.100 0.185 0.000 0.814 295 G HN 0.163 nan 8.290 nan 0.000 0.495 296 D N -1.212 119.307 120.400 0.198 0.000 2.571 296 D HA 0.259 4.902 4.640 0.005 0.000 0.239 296 D C 0.204 176.537 176.300 0.055 0.000 1.267 296 D CA -0.089 53.952 54.000 0.068 0.000 0.823 296 D CB 1.347 42.107 40.800 -0.067 0.000 1.056 296 D HN 0.320 nan 8.370 nan 0.000 0.494 297 D N -0.631 119.820 120.400 0.086 0.000 2.712 297 D HA 0.206 4.849 4.640 0.005 0.000 0.181 297 D C -0.279 176.116 176.300 0.158 0.000 1.434 297 D CA 0.224 54.285 54.000 0.102 0.000 1.446 297 D CB 0.828 41.705 40.800 0.128 0.000 1.609 297 D HN -0.005 nan 8.370 nan 0.000 0.340 298 I N 1.437 122.085 120.570 0.129 0.000 2.646 298 I HA 0.754 4.927 4.170 0.005 0.000 0.299 298 I C -0.662 175.527 176.117 0.120 0.000 1.036 298 I CA -1.091 60.304 61.300 0.159 0.000 1.074 298 I CB 1.488 39.546 38.000 0.097 0.000 1.258 298 I HN 0.162 nan 8.210 nan 0.000 0.430 299 A N 4.953 127.922 122.820 0.248 0.000 2.427 299 A HA 0.736 5.059 4.320 0.005 0.000 0.298 299 A C -2.117 175.804 177.584 0.562 0.000 1.036 299 A CA -0.440 51.754 52.037 0.262 0.000 0.701 299 A CB 1.258 20.392 19.000 0.225 0.000 1.250 299 A HN 0.596 nan 8.150 nan 0.000 0.412 300 W N 1.973 123.381 121.300 0.179 0.000 2.532 300 W HA 0.664 5.327 4.660 0.005 0.000 0.321 300 W C -1.105 175.514 176.519 0.166 0.000 1.037 300 W CA -1.141 56.348 57.345 0.241 0.000 1.220 300 W CB 1.419 30.969 29.460 0.150 0.000 1.361 300 W HN 0.457 nan 8.180 nan 0.000 0.468 301 L N 3.779 125.256 121.223 0.423 0.000 2.349 301 L HA 0.497 4.840 4.340 0.005 0.000 0.278 301 L C 0.134 177.152 176.870 0.247 0.000 0.996 301 L CA -0.532 54.464 54.840 0.261 0.000 0.825 301 L CB 1.525 43.705 42.059 0.202 0.000 1.243 301 L HN 0.217 nan 8.230 nan 0.000 0.412 302 K N 2.615 123.115 120.400 0.167 0.000 2.318 302 K HA 0.564 4.887 4.320 0.005 0.000 0.249 302 K C -1.362 175.300 176.600 0.105 0.000 0.942 302 K CA -0.891 55.470 56.287 0.124 0.000 0.808 302 K CB 1.862 34.378 32.500 0.026 0.000 1.189 302 K HN 0.281 nan 8.250 nan 0.000 0.428 303 L N 2.911 124.174 121.223 0.067 0.000 2.350 303 L HA 0.400 4.743 4.340 0.005 0.000 0.275 303 L C -0.043 176.845 176.870 0.031 0.000 1.099 303 L CA 0.067 54.936 54.840 0.048 0.000 0.808 303 L CB 1.005 43.063 42.059 -0.000 0.000 1.149 303 L HN 0.577 nan 8.230 nan 0.000 0.442 304 R N 2.397 122.924 120.500 0.045 0.000 2.629 304 R HA 0.140 4.483 4.340 0.005 0.000 0.275 304 R C 0.677 176.959 176.300 -0.030 0.000 1.719 304 R CA -0.274 55.787 56.100 -0.064 0.000 1.472 304 R CB 0.147 30.247 30.300 -0.333 0.000 1.237 304 R HN 0.742 nan 8.270 nan 0.000 0.589 305 E N 0.711 120.899 120.200 -0.021 0.000 5.374 305 E HA -0.316 4.037 4.350 0.005 0.000 0.165 305 E C 0.417 177.032 176.600 0.024 0.000 1.352 305 E CA 2.711 59.107 56.400 -0.006 0.000 1.914 305 E CB -0.204 29.484 29.700 -0.021 0.000 1.913 305 E HN 0.745 nan 8.360 nan 0.000 0.282 306 D N -1.481 118.959 120.400 0.066 0.000 2.500 306 D HA 0.281 4.924 4.640 0.005 0.000 0.217 306 D C 0.684 177.068 176.300 0.139 0.000 1.159 306 D CA 0.762 54.824 54.000 0.103 0.000 0.828 306 D CB 0.631 41.492 40.800 0.103 0.000 1.039 306 D HN 0.362 nan 8.370 nan 0.000 0.512 307 G N 0.130 109.037 108.800 0.177 0.000 2.313 307 G HA2 0.346 4.309 3.960 0.005 0.000 0.296 307 G HA3 0.346 4.309 3.960 0.005 0.000 0.296 307 G C -2.344 172.648 174.900 0.154 0.000 1.356 307 G CA -0.861 44.303 45.100 0.106 0.000 0.833 307 G HN 0.138 nan 8.290 nan 0.000 0.552 308 L N 0.331 121.564 121.223 0.018 0.000 2.275 308 L HA 0.803 5.146 4.340 0.005 0.000 0.288 308 L C -1.214 175.650 176.870 -0.010 0.000 1.046 308 L CA -0.923 53.941 54.840 0.041 0.000 0.805 308 L CB 0.635 42.674 42.059 -0.033 0.000 1.193 308 L HN 0.518 nan 8.230 nan 0.000 0.426 309 Y N 3.602 123.897 120.300 -0.009 0.000 2.393 309 Y HA 0.736 5.289 4.550 0.005 0.000 0.341 309 Y C 0.151 176.054 175.900 0.006 0.000 0.988 309 Y CA -0.682 57.402 58.100 -0.026 0.000 1.078 309 Y CB 2.070 40.491 38.460 -0.065 0.000 1.203 309 Y HN 0.719 nan 8.280 nan 0.000 0.453 310 A N 3.107 125.977 122.820 0.084 0.000 2.318 310 A HA 0.770 5.093 4.320 0.005 0.000 0.324 310 A C -0.972 176.652 177.584 0.067 0.000 1.170 310 A CA -0.663 51.434 52.037 0.101 0.000 0.810 310 A CB 0.673 19.721 19.000 0.079 0.000 1.198 310 A HN 0.695 nan 8.150 nan 0.000 0.484 311 V N 0.771 120.739 119.914 0.090 0.000 2.815 311 V HA 0.703 4.826 4.120 0.005 0.000 0.314 311 V C -0.371 175.709 176.094 -0.023 0.000 1.064 311 V CA -1.041 61.275 62.300 0.028 0.000 0.952 311 V CB 1.875 33.707 31.823 0.015 0.000 1.020 311 V HN 0.861 nan 8.190 nan 0.000 0.439 312 N N 5.094 123.764 118.700 -0.050 0.000 2.414 312 N HA 0.468 5.211 4.740 0.005 0.000 0.256 312 N C -1.229 174.114 175.510 -0.278 0.000 1.029 312 N CA -2.339 50.642 53.050 -0.115 0.000 0.948 312 N CB 1.486 39.975 38.487 0.003 0.000 1.102 312 N HN 0.569 nan 8.380 nan 0.000 0.496 313 P HA -0.114 nan 4.420 nan 0.000 0.221 313 P C -0.555 176.515 177.300 -0.382 0.000 1.145 313 P CA 1.191 63.838 63.100 -0.755 0.000 0.795 313 P CB 0.416 31.290 31.700 -1.377 0.000 0.775 314 E N -0.398 119.653 120.200 -0.249 0.000 2.250 314 E HA 0.188 4.541 4.350 0.005 0.000 0.269 314 E C 0.288 176.826 176.600 -0.103 0.000 1.018 314 E CA -0.595 55.706 56.400 -0.166 0.000 0.873 314 E CB 0.546 30.171 29.700 -0.125 0.000 1.134 314 E HN -0.142 nan 8.360 nan 0.000 0.403 315 N N -0.388 118.248 118.700 -0.108 0.000 2.171 315 N HA 0.167 4.911 4.740 0.005 0.000 0.212 315 N C -0.446 174.949 175.510 -0.191 0.000 1.184 315 N CA 0.109 53.125 53.050 -0.057 0.000 0.888 315 N CB 1.196 39.658 38.487 -0.042 0.000 1.038 315 N HN 0.561 nan 8.380 nan 0.000 0.517 316 G N -1.261 107.376 108.800 -0.271 0.000 2.706 316 G HA2 0.497 4.460 3.960 0.005 0.000 0.307 316 G HA3 0.497 4.460 3.960 0.005 0.000 0.307 316 G C -1.698 173.007 174.900 -0.325 0.000 1.307 316 G CA -0.686 44.153 45.100 -0.435 0.000 0.790 316 G HN 0.019 nan 8.290 nan 0.000 0.503 317 F N -0.301 119.646 119.950 -0.005 0.000 2.495 317 F HA 0.598 5.128 4.527 0.005 0.000 0.327 317 F C -0.725 175.092 175.800 0.027 0.000 1.103 317 F CA -0.748 57.260 58.000 0.013 0.000 0.949 317 F CB 2.684 41.720 39.000 0.060 0.000 1.142 317 F HN 0.303 nan 8.300 nan 0.000 0.457 318 F N 2.860 122.787 119.950 -0.039 0.000 2.523 318 F HA 0.599 5.129 4.527 0.005 0.000 0.322 318 F C 0.093 175.685 175.800 -0.346 0.000 1.361 318 F CA -0.811 57.072 58.000 -0.195 0.000 1.151 318 F CB 0.053 38.975 39.000 -0.131 0.000 1.391 318 F HN 0.417 nan 8.300 nan 0.000 0.566 319 G N 1.213 109.487 108.800 -0.877 0.000 2.502 319 G HA2 0.477 4.440 3.960 0.005 0.000 0.305 319 G HA3 0.477 4.440 3.960 0.005 0.000 0.305 319 G C -1.001 173.325 174.900 -0.956 0.000 1.190 319 G CA -0.677 43.878 45.100 -0.907 0.000 0.933 319 G HN 0.163 nan 8.290 nan 0.000 0.503 320 V N 1.428 121.027 119.914 -0.525 0.000 2.508 320 V HA 0.307 4.430 4.120 0.005 0.000 0.281 320 V C 1.455 177.303 176.094 -0.410 0.000 1.041 320 V CA 0.407 62.462 62.300 -0.410 0.000 1.016 320 V CB 0.630 32.304 31.823 -0.247 0.000 0.984 320 V HN 0.984 nan 8.190 nan 0.000 0.478 321 A N 7.916 130.436 122.820 -0.501 0.000 1.841 321 A HA 0.100 4.423 4.320 0.005 0.000 0.214 321 A C -1.239 175.638 177.584 -1.179 0.000 1.195 321 A CA 0.905 52.406 52.037 -0.893 0.000 0.611 321 A CB -1.256 17.104 19.000 -1.068 0.000 0.835 321 A HN 0.714 nan 8.150 nan 0.000 0.443 322 P HA 0.281 nan 4.420 nan 0.000 0.267 322 P C 0.845 178.000 177.300 -0.242 0.000 1.200 322 P CA 1.754 64.574 63.100 -0.467 0.000 0.772 322 P CB 0.541 32.094 31.700 -0.244 0.000 0.855 323 G N 1.165 109.949 108.800 -0.026 0.000 2.241 323 G HA2 -0.217 3.746 3.960 0.005 0.000 0.244 323 G HA3 -0.217 3.746 3.960 0.005 0.000 0.244 323 G C 0.191 175.132 174.900 0.069 0.000 0.998 323 G CA 0.097 45.211 45.100 0.023 0.000 0.621 323 G HN 0.603 nan 8.290 nan 0.000 0.519 324 T N 3.007 117.628 114.554 0.113 0.000 2.799 324 T HA 0.504 4.857 4.350 0.005 0.000 0.296 324 T C 0.296 175.117 174.700 0.202 0.000 0.947 324 T CA 0.558 62.754 62.100 0.160 0.000 1.141 324 T CB 0.756 69.703 68.868 0.131 0.000 0.891 324 T HN 0.938 nan 8.240 nan 0.000 0.533 325 N N 1.805 120.494 118.700 -0.019 0.000 3.020 325 N HA 0.096 4.839 4.740 0.005 0.000 0.248 325 N C -0.213 175.175 175.510 -0.203 0.000 1.480 325 N CA -0.888 52.087 53.050 -0.125 0.000 0.874 325 N CB 0.767 39.220 38.487 -0.057 0.000 1.433 325 N HN 0.304 nan 8.380 nan 0.000 0.530 326 Y N -0.009 120.256 120.300 -0.058 0.000 2.403 326 Y HA -0.052 4.501 4.550 0.005 0.000 0.291 326 Y C 2.461 178.309 175.900 -0.087 0.000 1.143 326 Y CA 1.897 59.960 58.100 -0.063 0.000 1.257 326 Y CB -0.082 38.343 38.460 -0.058 0.000 0.984 326 Y HN 0.776 nan 8.280 nan 0.000 0.550 327 A N -0.406 122.408 122.820 -0.011 0.000 1.850 327 A HA -0.134 4.190 4.320 0.005 0.000 0.212 327 A C 2.373 179.815 177.584 -0.238 0.000 1.208 327 A CA 1.492 53.451 52.037 -0.131 0.000 0.609 327 A CB -1.068 17.823 19.000 -0.181 0.000 0.860 327 A HN 0.401 nan 8.150 nan 0.000 0.448 328 S N -0.528 114.999 115.700 -0.288 0.000 2.355 328 S HA -0.043 4.430 4.470 0.005 0.000 0.222 328 S C 0.897 175.484 174.600 -0.021 0.000 1.031 328 S CA 1.222 59.287 58.200 -0.225 0.000 0.993 328 S CB -0.213 62.925 63.200 -0.104 0.000 0.859 328 S HN 0.442 nan 8.310 nan 0.000 0.453 329 N N 1.245 119.908 118.700 -0.062 0.000 2.726 329 N HA 0.337 5.080 4.740 0.005 0.000 0.253 329 N C -2.660 172.768 175.510 -0.137 0.000 1.530 329 N CA -1.836 51.176 53.050 -0.063 0.000 0.772 329 N CB 1.386 39.846 38.487 -0.046 0.000 1.220 329 N HN 0.004 nan 8.380 nan 0.000 0.508 330 P HA -0.145 nan 4.420 nan 0.000 0.216 330 P C 1.798 179.066 177.300 -0.053 0.000 1.153 330 P CA 0.740 63.809 63.100 -0.051 0.000 0.858 330 P CB 0.635 32.393 31.700 0.097 0.000 0.789 331 I N 0.080 120.630 120.570 -0.034 0.000 2.127 331 I HA -0.230 3.943 4.170 0.005 0.000 0.241 331 I C 2.423 178.494 176.117 -0.076 0.000 1.075 331 I CA 1.634 62.916 61.300 -0.030 0.000 1.334 331 I CB -1.933 36.058 38.000 -0.016 0.000 1.040 331 I HN -0.073 nan 8.210 nan 0.000 0.405 332 A N 0.724 123.468 122.820 -0.127 0.000 1.903 332 A HA -0.263 4.060 4.320 0.005 0.000 0.219 332 A C 2.290 179.743 177.584 -0.217 0.000 1.191 332 A CA 2.026 53.951 52.037 -0.186 0.000 0.638 332 A CB -0.505 18.380 19.000 -0.191 0.000 0.823 332 A HN 0.308 nan 8.150 nan 0.000 0.451 333 M N -0.130 119.315 119.600 -0.257 0.000 2.065 333 M HA -0.144 4.339 4.480 0.005 0.000 0.259 333 M C 1.877 178.126 176.300 -0.085 0.000 1.071 333 M CA 1.907 57.027 55.300 -0.301 0.000 1.109 333 M CB -1.410 30.659 32.600 -0.885 0.000 1.313 333 M HN 0.425 nan 8.290 nan 0.000 0.408 334 K N -0.681 119.716 120.400 -0.006 0.000 2.365 334 K HA -0.019 4.304 4.320 0.005 0.000 0.199 334 K C 1.846 178.465 176.600 0.033 0.000 1.045 334 K CA 1.185 57.510 56.287 0.064 0.000 0.962 334 K CB -0.348 32.207 32.500 0.091 0.000 0.759 334 K HN 0.375 nan 8.250 nan 0.000 0.469 335 T N 1.526 116.085 114.554 0.007 0.000 2.821 335 T HA -0.060 4.293 4.350 0.005 0.000 0.267 335 T C 1.770 176.480 174.700 0.017 0.000 1.046 335 T CA 1.116 63.233 62.100 0.029 0.000 1.139 335 T CB -0.034 68.877 68.868 0.072 0.000 0.871 335 T HN 0.192 nan 8.240 nan 0.000 0.454 336 M N 1.144 120.739 119.600 -0.008 0.000 2.506 336 M HA 0.051 4.534 4.480 0.005 0.000 0.260 336 M C 2.456 178.799 176.300 0.073 0.000 1.104 336 M CA 0.742 56.056 55.300 0.024 0.000 1.112 336 M CB -0.239 32.383 32.600 0.036 0.000 1.401 336 M HN 0.410 nan 8.290 nan 0.000 0.473 337 E N 1.479 121.718 120.200 0.066 0.000 2.150 337 E HA -0.147 4.206 4.350 0.005 0.000 0.193 337 E C -1.010 175.625 176.600 0.059 0.000 0.985 337 E CA 0.849 57.296 56.400 0.078 0.000 0.814 337 E CB -1.332 28.425 29.700 0.095 0.000 0.752 337 E HN 0.317 nan 8.360 nan 0.000 0.466 338 P HA 0.013 nan 4.420 nan 0.000 0.223 338 P C 0.788 178.108 177.300 0.033 0.000 1.144 338 P CA 1.725 64.843 63.100 0.030 0.000 0.783 338 P CB -0.048 31.661 31.700 0.015 0.000 0.771 339 G N -0.447 108.381 108.800 0.047 0.000 2.513 339 G HA2 -0.245 3.718 3.960 0.005 0.000 0.227 339 G HA3 -0.245 3.718 3.960 0.005 0.000 0.227 339 G C -0.282 174.636 174.900 0.029 0.000 1.176 339 G CA -0.114 45.023 45.100 0.061 0.000 0.967 339 G HN 0.198 nan 8.290 nan 0.000 0.587 340 N N -0.584 118.140 118.700 0.039 0.000 2.714 340 N HA -0.183 4.560 4.740 0.005 0.000 0.250 340 N C 0.009 175.513 175.510 -0.010 0.000 1.117 340 N CA 1.135 54.179 53.050 -0.011 0.000 0.719 340 N CB -1.170 37.235 38.487 -0.136 0.000 1.081 340 N HN 0.802 nan 8.380 nan 0.000 0.557 341 T N 0.690 115.270 114.554 0.043 0.000 2.824 341 T HA 0.481 4.834 4.350 0.005 0.000 0.280 341 T C -0.233 174.455 174.700 -0.021 0.000 0.995 341 T CA -0.592 61.437 62.100 -0.120 0.000 1.009 341 T CB 2.042 70.658 68.868 -0.420 0.000 0.955 341 T HN 0.033 nan 8.240 nan 0.000 0.452 342 L N 4.013 125.247 121.223 0.019 0.000 2.265 342 L HA 0.549 4.892 4.340 0.005 0.000 0.289 342 L C -1.310 175.572 176.870 0.021 0.000 1.033 342 L CA -0.861 54.078 54.840 0.164 0.000 0.814 342 L CB -0.331 41.853 42.059 0.209 0.000 1.203 342 L HN 0.562 nan 8.230 nan 0.000 0.423 343 F N 2.487 122.638 119.950 0.336 0.000 2.421 343 F HA 0.533 5.063 4.527 0.005 0.000 0.337 343 F C 0.621 176.608 175.800 0.313 0.000 1.105 343 F CA -0.456 57.724 58.000 0.299 0.000 1.049 343 F CB 1.844 41.017 39.000 0.288 0.000 1.139 343 F HN 0.313 nan 8.300 nan 0.000 0.479 344 T N 3.511 118.333 114.554 0.446 0.000 2.791 344 T HA 0.256 4.609 4.350 0.005 0.000 0.288 344 T C -0.250 174.591 174.700 0.236 0.000 0.999 344 T CA -0.778 61.547 62.100 0.375 0.000 0.952 344 T CB 0.650 69.784 68.868 0.443 0.000 0.938 344 T HN 0.640 nan 8.240 nan 0.000 0.444 345 N N 0.394 119.221 118.700 0.211 0.000 2.869 345 N HA -0.127 4.617 4.740 0.005 0.000 0.249 345 N C -0.043 175.566 175.510 0.165 0.000 1.104 345 N CA 0.863 54.001 53.050 0.146 0.000 0.760 345 N CB -1.650 36.766 38.487 -0.119 0.000 1.108 345 N HN 0.664 nan 8.380 nan 0.000 0.555 346 V N -2.881 117.164 119.914 0.218 0.000 2.966 346 V HA 0.948 5.071 4.120 0.005 0.000 0.317 346 V C 1.049 177.260 176.094 0.194 0.000 1.070 346 V CA -0.564 61.861 62.300 0.209 0.000 1.008 346 V CB 1.822 33.804 31.823 0.266 0.000 1.070 346 V HN 0.273 nan 8.190 nan 0.000 0.457 347 A N 2.619 125.535 122.820 0.160 0.000 2.327 347 A HA 0.644 4.967 4.320 0.005 0.000 0.255 347 A C -0.274 177.349 177.584 0.064 0.000 1.099 347 A CA -0.500 51.593 52.037 0.094 0.000 0.801 347 A CB 0.337 19.369 19.000 0.053 0.000 1.062 347 A HN 1.087 nan 8.150 nan 0.000 0.496 348 L N 1.173 122.408 121.223 0.020 0.000 2.349 348 L HA 0.282 4.625 4.340 0.005 0.000 0.278 348 L C 1.575 178.431 176.870 -0.024 0.000 0.996 348 L CA -0.019 54.825 54.840 0.007 0.000 0.825 348 L CB 1.992 44.066 42.059 0.025 0.000 1.243 348 L HN 1.110 nan 8.230 nan 0.000 0.412 349 T N -0.911 113.630 114.554 -0.021 0.000 2.821 349 T HA -0.107 4.246 4.350 0.005 0.000 0.267 349 T C 0.803 175.507 174.700 0.007 0.000 1.046 349 T CA 1.474 63.556 62.100 -0.029 0.000 1.139 349 T CB 0.085 68.937 68.868 -0.027 0.000 0.871 349 T HN 0.776 nan 8.240 nan 0.000 0.454 350 D N 0.547 120.961 120.400 0.025 0.000 2.075 350 D HA -0.137 4.507 4.640 0.005 0.000 0.168 350 D C 0.565 176.892 176.300 0.045 0.000 1.113 350 D CA 1.329 55.362 54.000 0.056 0.000 1.082 350 D CB -1.708 39.160 40.800 0.114 0.000 1.171 350 D HN 0.685 nan 8.370 nan 0.000 0.531 351 D N 1.009 121.427 120.400 0.030 0.000 2.378 351 D HA 0.153 4.796 4.640 0.005 0.000 0.227 351 D C 1.629 177.937 176.300 0.014 0.000 1.012 351 D CA 1.325 55.336 54.000 0.019 0.000 0.905 351 D CB -0.415 40.391 40.800 0.009 0.000 0.895 351 D HN 0.606 nan 8.370 nan 0.000 0.532 352 G N 1.062 109.872 108.800 0.016 0.000 2.147 352 G HA2 -0.290 3.673 3.960 0.005 0.000 0.244 352 G HA3 -0.290 3.673 3.960 0.005 0.000 0.244 352 G C -0.075 174.824 174.900 -0.002 0.000 1.005 352 G CA 0.378 45.488 45.100 0.017 0.000 0.713 352 G HN 0.521 nan 8.290 nan 0.000 0.515 353 D N -1.027 119.362 120.400 -0.019 0.000 2.469 353 D HA 0.690 5.333 4.640 0.005 0.000 0.278 353 D C 0.323 176.570 176.300 -0.089 0.000 1.231 353 D CA -0.321 53.645 54.000 -0.057 0.000 1.075 353 D CB 0.484 41.251 40.800 -0.055 0.000 1.121 353 D HN 0.087 nan 8.370 nan 0.000 0.571 354 I N -0.017 120.454 120.570 -0.166 0.000 2.647 354 I HA 0.464 4.637 4.170 0.005 0.000 0.295 354 I C -1.666 174.337 176.117 -0.190 0.000 1.078 354 I CA -0.571 60.578 61.300 -0.252 0.000 1.048 354 I CB 1.658 39.280 38.000 -0.630 0.000 1.239 354 I HN 0.428 nan 8.210 nan 0.000 0.421 355 W N 7.884 129.010 121.300 -0.290 0.000 3.127 355 W HA 0.679 5.341 4.660 0.005 0.000 0.330 355 W C -2.001 174.437 176.519 -0.134 0.000 1.187 355 W CA -0.438 56.687 57.345 -0.366 0.000 1.198 355 W CB 1.534 30.815 29.460 -0.298 0.000 1.408 355 W HN 0.490 nan 8.180 nan 0.000 0.529 356 W N 3.032 123.666 121.300 -1.110 0.000 3.118 356 W HA 0.683 5.346 4.660 0.005 0.000 0.328 356 W C -0.907 174.555 176.519 -1.760 0.000 1.239 356 W CA -1.474 55.200 57.345 -1.118 0.000 1.176 356 W CB 0.328 29.465 29.460 -0.538 0.000 1.433 356 W HN 0.282 nan 8.180 nan 0.000 0.562 357 E N 1.052 120.822 120.200 -0.717 0.000 2.529 357 E HA 0.348 4.701 4.350 0.005 0.000 0.259 357 E C 1.242 177.733 176.600 -0.182 0.000 0.966 357 E CA 2.751 58.918 56.400 -0.388 0.000 0.937 357 E CB 0.258 29.917 29.700 -0.068 0.000 0.923 357 E HN 1.087 nan 8.360 nan 0.000 0.468 358 G N 3.057 111.794 108.800 -0.104 0.000 2.148 358 G HA2 -0.362 3.601 3.960 0.005 0.000 0.254 358 G HA3 -0.362 3.601 3.960 0.005 0.000 0.254 358 G C 0.317 175.179 174.900 -0.062 0.000 0.981 358 G CA 0.180 45.269 45.100 -0.019 0.000 0.670 358 G HN 0.473 nan 8.290 nan 0.000 0.528 359 M N 1.997 121.414 119.600 -0.305 0.000 2.245 359 M HA 0.192 4.675 4.480 0.005 0.000 0.344 359 M C 0.767 177.062 176.300 -0.008 0.000 1.170 359 M CA 0.170 55.274 55.300 -0.327 0.000 1.135 359 M CB 0.312 32.435 32.600 -0.795 0.000 1.574 359 M HN 0.350 nan 8.290 nan 0.000 0.452 360 D N 2.720 123.129 120.400 0.015 0.000 2.671 360 D HA 0.133 4.776 4.640 0.005 0.000 0.228 360 D C 0.504 176.850 176.300 0.078 0.000 1.102 360 D CA 0.069 54.102 54.000 0.055 0.000 1.044 360 D CB 0.025 40.849 40.800 0.040 0.000 1.113 360 D HN 0.802 nan 8.370 nan 0.000 0.480 361 G N 0.599 109.469 108.800 0.117 0.000 3.680 361 G HA2 0.010 3.973 3.960 0.005 0.000 0.211 361 G HA3 0.010 3.973 3.960 0.005 0.000 0.211 361 G C 0.367 175.319 174.900 0.086 0.000 1.509 361 G CA 0.151 45.305 45.100 0.090 0.000 0.868 361 G HN 0.369 nan 8.290 nan 0.000 0.759 362 D N -1.693 118.781 120.400 0.122 0.000 1.895 362 D HA 0.416 5.059 4.640 0.005 0.000 0.313 362 D C -0.077 176.259 176.300 0.060 0.000 1.403 362 D CA 1.649 55.692 54.000 0.073 0.000 0.997 362 D CB 0.329 41.137 40.800 0.014 0.000 2.880 362 D HN 1.450 nan 8.370 nan 0.000 0.244 363 A N 0.499 123.257 122.820 -0.104 0.000 2.428 363 A HA 0.309 4.632 4.320 0.005 0.000 0.684 363 A C -2.768 174.597 177.584 -0.365 0.000 0.138 363 A CA -0.430 51.284 52.037 -0.539 0.000 0.038 363 A CB -1.259 17.562 19.000 -0.297 0.000 3.962 363 A HN 0.053 nan 8.150 nan 0.000 0.547 364 P HA 0.415 nan 4.420 nan 0.000 0.270 364 P C 1.005 178.267 177.300 -0.064 0.000 1.227 364 P CA 0.520 63.495 63.100 -0.208 0.000 0.788 364 P CB 0.610 32.184 31.700 -0.210 0.000 0.926 365 A N -0.056 122.751 122.820 -0.021 0.000 2.238 365 A HA 0.008 4.331 4.320 0.005 0.000 0.208 365 A C 0.860 178.496 177.584 0.086 0.000 1.177 365 A CA 0.749 52.782 52.037 -0.007 0.000 0.804 365 A CB -0.779 18.204 19.000 -0.028 0.000 0.823 365 A HN 0.692 nan 8.150 nan 0.000 0.482 366 H N -1.321 117.758 119.070 0.015 0.000 2.961 366 H HA 0.754 5.313 4.556 0.005 0.000 0.371 366 H C -1.935 173.466 175.328 0.122 0.000 1.190 366 H CA -0.614 55.476 56.048 0.071 0.000 1.138 366 H CB 1.450 31.225 29.762 0.022 0.000 1.816 366 H HN 0.148 nan 8.280 nan 0.000 0.551 367 L N 3.668 124.551 121.223 -0.566 0.000 2.869 367 L HA 0.255 4.599 4.340 0.005 0.000 0.265 367 L C -1.035 175.588 176.870 -0.413 0.000 1.011 367 L CA -0.813 53.777 54.840 -0.415 0.000 0.913 367 L CB 2.765 44.716 42.059 -0.181 0.000 1.490 367 L HN 0.538 nan 8.230 nan 0.000 0.410 368 I N 0.850 121.296 120.570 -0.206 0.000 2.437 368 I HA 0.384 4.557 4.170 0.005 0.000 0.298 368 I C -0.807 175.293 176.117 -0.028 0.000 0.984 368 I CA -0.103 61.157 61.300 -0.067 0.000 1.214 368 I CB 1.692 39.687 38.000 -0.008 0.000 1.365 368 I HN 0.726 nan 8.210 nan 0.000 0.469 369 D N 6.400 126.797 120.400 -0.005 0.000 2.447 369 D HA 0.091 4.734 4.640 0.005 0.000 0.265 369 D C 1.216 177.522 176.300 0.010 0.000 1.250 369 D CA -0.357 53.627 54.000 -0.027 0.000 1.046 369 D CB 0.090 40.859 40.800 -0.053 0.000 1.095 369 D HN 0.687 nan 8.370 nan 0.000 0.555 370 W N -0.979 120.320 121.300 -0.002 0.000 2.595 370 W HA 0.008 4.671 4.660 0.004 0.000 0.257 370 W C 1.215 177.728 176.519 -0.009 0.000 1.267 370 W CA 0.070 57.418 57.345 0.005 0.000 1.300 370 W CB -0.926 28.541 29.460 0.011 0.000 1.120 370 W HN 0.204 nan 8.180 nan 0.000 0.618 371 M N 0.895 120.123 119.600 -0.619 0.000 2.492 371 M HA 0.131 4.614 4.480 0.005 0.000 0.262 371 M C 1.724 177.886 176.300 -0.230 0.000 1.090 371 M CA 1.867 56.815 55.300 -0.588 0.000 1.110 371 M CB -0.378 31.741 32.600 -0.801 0.000 1.407 371 M HN 0.214 nan 8.290 nan 0.000 0.470 372 G N 1.228 109.955 108.800 -0.121 0.000 2.131 372 G HA2 -0.233 3.730 3.960 0.005 0.000 0.223 372 G HA3 -0.233 3.730 3.960 0.005 0.000 0.223 372 G C -0.417 174.467 174.900 -0.027 0.000 0.990 372 G CA -0.136 44.939 45.100 -0.043 0.000 0.671 372 G HN 0.483 nan 8.290 nan 0.000 0.521 373 N N 0.424 119.103 118.700 -0.035 0.000 2.417 373 N HA 0.512 5.255 4.740 0.005 0.000 0.300 373 N C -0.705 174.854 175.510 0.081 0.000 1.102 373 N CA -0.705 52.352 53.050 0.012 0.000 0.886 373 N CB 0.919 39.397 38.487 -0.015 0.000 1.203 373 N HN 0.220 nan 8.380 nan 0.000 0.496 374 D N 0.768 121.230 120.400 0.103 0.000 2.458 374 D HA 0.125 4.768 4.640 0.005 0.000 0.243 374 D C -1.118 175.287 176.300 0.175 0.000 1.146 374 D CA 0.664 54.765 54.000 0.169 0.000 0.877 374 D CB 0.466 41.401 40.800 0.224 0.000 1.176 374 D HN 0.355 nan 8.370 nan 0.000 0.461 375 W N 2.385 123.658 121.300 -0.046 0.000 3.129 375 W HA 0.463 5.125 4.660 0.005 0.000 0.333 375 W C -1.198 175.289 176.519 -0.055 0.000 1.141 375 W CA -0.541 56.777 57.345 -0.046 0.000 1.224 375 W CB 1.480 30.909 29.460 -0.051 0.000 1.393 375 W HN 0.468 nan 8.180 nan 0.000 0.499 376 T N 1.855 115.821 114.554 -0.981 0.000 2.841 376 T HA 0.494 4.847 4.350 0.005 0.000 0.296 376 T C -2.634 171.113 174.700 -1.589 0.000 1.166 376 T CA -1.796 59.776 62.100 -0.880 0.000 1.007 376 T CB 2.197 70.851 68.868 -0.356 0.000 1.253 376 T HN 0.181 nan 8.240 nan 0.000 0.511 377 P HA 0.106 nan 4.420 nan 0.000 0.242 377 P C 0.878 177.935 177.300 -0.405 0.000 1.197 377 P CA 0.385 63.096 63.100 -0.649 0.000 0.765 377 P CB -0.011 31.578 31.700 -0.186 0.000 0.936 378 E N -0.162 119.788 120.200 -0.415 0.000 2.482 378 E HA -0.059 4.294 4.350 0.005 0.000 0.196 378 E C 1.244 177.715 176.600 -0.216 0.000 1.047 378 E CA 0.713 56.967 56.400 -0.243 0.000 0.869 378 E CB -0.392 29.197 29.700 -0.185 0.000 0.836 378 E HN 0.057 nan 8.360 nan 0.000 0.520 379 S N 0.455 115.952 115.700 -0.339 0.000 2.414 379 S HA -0.073 4.400 4.470 0.005 0.000 0.227 379 S C 0.449 175.039 174.600 -0.017 0.000 1.022 379 S CA 0.740 58.803 58.200 -0.229 0.000 0.958 379 S CB -0.047 62.887 63.200 -0.443 0.000 0.797 379 S HN 0.389 nan 8.310 nan 0.000 0.493 380 D N 0.109 120.548 120.400 0.065 0.000 2.328 380 D HA -0.140 4.503 4.640 0.005 0.000 0.167 380 D C 0.110 176.504 176.300 0.157 0.000 1.205 380 D CA 1.379 55.441 54.000 0.103 0.000 1.128 380 D CB -0.976 39.856 40.800 0.053 0.000 1.157 380 D HN 0.482 nan 8.370 nan 0.000 0.468 381 E N 0.390 120.713 120.200 0.206 0.000 2.318 381 E HA 0.331 4.684 4.350 0.005 0.000 0.265 381 E C 0.031 176.878 176.600 0.411 0.000 1.069 381 E CA -0.556 56.007 56.400 0.270 0.000 0.893 381 E CB 0.538 30.387 29.700 0.248 0.000 1.076 381 E HN 0.065 nan 8.360 nan 0.000 0.414 382 N N 0.676 119.572 118.700 0.327 0.000 2.492 382 N HA 0.031 4.774 4.740 0.005 0.000 0.260 382 N C 0.300 175.939 175.510 0.215 0.000 1.215 382 N CA 0.228 53.446 53.050 0.279 0.000 0.923 382 N CB 1.120 39.693 38.487 0.143 0.000 1.092 382 N HN 0.559 nan 8.380 nan 0.000 0.448 383 A N 1.702 124.466 122.820 -0.094 0.000 1.898 383 A HA 0.176 4.500 4.320 0.005 0.000 0.216 383 A C 0.840 178.449 177.584 0.041 0.000 1.181 383 A CA 1.368 53.101 52.037 -0.506 0.000 0.620 383 A CB -0.385 18.046 19.000 -0.949 0.000 0.819 383 A HN 0.685 nan 8.150 nan 0.000 0.442 384 A N -0.777 122.093 122.820 0.084 0.000 2.324 384 A HA 0.517 4.840 4.320 0.005 0.000 0.330 384 A C -0.012 177.526 177.584 -0.077 0.000 1.165 384 A CA -0.554 51.535 52.037 0.086 0.000 0.813 384 A CB 0.063 19.082 19.000 0.031 0.000 1.197 384 A HN 0.482 nan 8.150 nan 0.000 0.484 385 H N 2.664 121.368 119.070 -0.610 0.000 2.928 385 H HA 0.055 4.614 4.556 0.005 0.000 0.338 385 H C -1.793 173.273 175.328 -0.437 0.000 1.047 385 H CA -0.757 54.763 56.048 -0.880 0.000 1.435 385 H CB 1.069 29.841 29.762 -1.650 0.000 1.428 385 H HN 0.291 nan 8.280 nan 0.000 0.590 386 P HA -0.118 nan 4.420 nan 0.000 0.221 386 P C 0.680 177.773 177.300 -0.347 0.000 1.145 386 P CA 1.241 64.045 63.100 -0.493 0.000 0.795 386 P CB 0.223 31.667 31.700 -0.427 0.000 0.775 387 N N -0.892 117.655 118.700 -0.256 0.000 2.276 387 N HA 0.012 4.755 4.740 0.005 0.000 0.212 387 N C -0.244 175.248 175.510 -0.029 0.000 1.127 387 N CA -0.182 52.842 53.050 -0.043 0.000 0.834 387 N CB -0.289 38.240 38.487 0.070 0.000 1.014 387 N HN 0.017 nan 8.380 nan 0.000 0.491 388 S N -0.503 115.134 115.700 -0.105 0.000 2.589 388 S HA 0.400 4.873 4.470 0.005 0.000 0.265 388 S C 0.139 174.620 174.600 -0.198 0.000 1.342 388 S CA -0.416 57.722 58.200 -0.103 0.000 1.005 388 S CB 1.363 64.509 63.200 -0.091 0.000 0.909 388 S HN 0.146 nan 8.310 nan 0.000 0.555 389 R N 0.259 120.677 120.500 -0.138 0.000 2.707 389 R HA 0.401 4.744 4.340 0.005 0.000 0.272 389 R C -1.682 174.577 176.300 -0.068 0.000 1.011 389 R CA -0.660 55.242 56.100 -0.331 0.000 0.893 389 R CB 1.720 31.623 30.300 -0.661 0.000 1.233 389 R HN 0.894 nan 8.270 nan 0.000 0.464 390 Y N -1.915 118.268 120.300 -0.196 0.000 2.485 390 Y HA 0.740 5.293 4.550 0.005 0.000 0.345 390 Y C -0.669 175.166 175.900 -0.109 0.000 0.998 390 Y CA -1.432 56.578 58.100 -0.149 0.000 1.059 390 Y CB 1.678 40.076 38.460 -0.103 0.000 1.234 390 Y HN 0.566 nan 8.280 nan 0.000 0.461 391 C N 4.557 123.923 119.300 0.109 0.000 2.432 391 C HA 0.879 5.342 4.460 0.005 0.000 0.334 391 C C -1.535 173.521 174.990 0.109 0.000 1.155 391 C CA -0.492 58.626 59.018 0.166 0.000 1.335 391 C CB 0.121 28.002 27.740 0.234 0.000 1.964 391 C HN 0.988 nan 8.230 nan 0.000 0.444 392 V N 5.544 125.536 119.914 0.130 0.000 3.147 392 V HA 0.831 4.954 4.120 0.005 0.000 0.299 392 V C 0.073 176.125 176.094 -0.070 0.000 1.302 392 V CA 0.185 62.509 62.300 0.039 0.000 1.015 392 V CB 2.209 34.088 31.823 0.093 0.000 1.086 392 V HN 1.369 nan 8.190 nan 0.000 0.437 393 A N 4.657 127.386 122.820 -0.152 0.000 2.440 393 A HA 0.417 4.740 4.320 0.005 0.000 0.251 393 A C 1.117 178.490 177.584 -0.351 0.000 1.089 393 A CA 0.460 52.355 52.037 -0.237 0.000 0.779 393 A CB 0.253 19.135 19.000 -0.196 0.000 1.022 393 A HN 1.337 nan 8.150 nan 0.000 0.492 394 I N 0.725 120.943 120.570 -0.586 0.000 2.394 394 I HA -0.154 4.019 4.170 0.005 0.000 0.251 394 I C 0.916 176.717 176.117 -0.525 0.000 1.136 394 I CA 1.727 62.521 61.300 -0.844 0.000 1.425 394 I CB -0.217 36.986 38.000 -1.329 0.000 1.079 394 I HN 0.683 nan 8.210 nan 0.000 0.425 395 D N 0.818 121.035 120.400 -0.306 0.000 2.280 395 D HA -0.304 4.339 4.640 0.005 0.000 0.206 395 D C 1.908 178.176 176.300 -0.054 0.000 0.988 395 D CA 1.386 55.359 54.000 -0.045 0.000 0.886 395 D CB -0.154 40.674 40.800 0.046 0.000 0.914 395 D HN 0.627 nan 8.370 nan 0.000 0.473 396 Q N -0.211 119.537 119.800 -0.088 0.000 2.356 396 Q HA 0.051 4.395 4.340 0.005 0.000 0.205 396 Q C 0.264 176.258 176.000 -0.008 0.000 0.901 396 Q CA -0.147 55.631 55.803 -0.041 0.000 0.938 396 Q CB 0.452 29.157 28.738 -0.054 0.000 1.081 396 Q HN -0.091 nan 8.270 nan 0.000 0.517 397 S N 1.705 117.401 115.700 -0.006 0.000 2.549 397 S HA 0.123 4.596 4.470 0.005 0.000 0.283 397 S C -1.637 172.980 174.600 0.028 0.000 1.320 397 S CA -1.248 56.980 58.200 0.047 0.000 1.058 397 S CB 0.924 64.192 63.200 0.113 0.000 0.882 397 S HN 0.289 nan 8.310 nan 0.000 0.498 398 P HA 0.134 nan 4.420 nan 0.000 0.242 398 P C 0.099 177.422 177.300 0.038 0.000 1.197 398 P CA 0.344 63.464 63.100 0.034 0.000 0.765 398 P CB 0.085 31.807 31.700 0.036 0.000 0.936 399 A N -0.786 122.059 122.820 0.042 0.000 2.603 399 A HA 0.575 4.898 4.320 0.005 0.000 0.277 399 A C 0.994 178.609 177.584 0.052 0.000 1.158 399 A CA -0.135 51.931 52.037 0.048 0.000 0.962 399 A CB -0.103 18.925 19.000 0.046 0.000 1.189 399 A HN 0.184 nan 8.150 nan 0.000 0.552 400 A N 0.861 123.698 122.820 0.029 0.000 2.520 400 A HA 0.538 4.861 4.320 0.005 0.000 0.245 400 A C 0.805 178.425 177.584 0.059 0.000 1.072 400 A CA 0.459 52.485 52.037 -0.018 0.000 0.761 400 A CB -0.238 18.664 19.000 -0.164 0.000 1.004 400 A HN 1.447 nan 8.150 nan 0.000 0.499 401 A N 5.136 128.019 122.820 0.105 0.000 2.450 401 A HA 0.534 4.857 4.320 0.005 0.000 0.255 401 A C -0.803 176.932 177.584 0.251 0.000 1.096 401 A CA -1.127 51.008 52.037 0.163 0.000 0.778 401 A CB 0.003 19.117 19.000 0.189 0.000 1.031 401 A HN 0.689 nan 8.150 nan 0.000 0.494 402 P HA -0.206 nan 4.420 nan 0.000 0.219 402 P C 0.831 178.216 177.300 0.140 0.000 1.146 402 P CA 1.351 64.570 63.100 0.199 0.000 0.808 402 P CB 0.104 31.868 31.700 0.107 0.000 0.779 403 E N 0.509 120.782 120.200 0.122 0.000 2.516 403 E HA -0.137 4.217 4.350 0.005 0.000 0.199 403 E C 1.661 178.294 176.600 0.055 0.000 1.069 403 E CA 0.128 56.556 56.400 0.046 0.000 0.876 403 E CB -1.229 28.494 29.700 0.038 0.000 0.843 403 E HN 0.373 nan 8.360 nan 0.000 0.530 404 F N 1.685 121.628 119.950 -0.012 0.000 2.307 404 F HA -0.038 4.492 4.527 0.005 0.000 0.301 404 F C 1.268 177.045 175.800 -0.038 0.000 1.076 404 F CA 0.868 58.852 58.000 -0.027 0.000 1.383 404 F CB -0.298 38.688 39.000 -0.023 0.000 1.055 404 F HN -0.140 nan 8.300 nan 0.000 0.526 405 N N 0.587 118.896 118.700 -0.652 0.000 2.235 405 N HA 0.020 4.763 4.740 0.005 0.000 0.209 405 N C -0.956 174.419 175.510 -0.225 0.000 1.122 405 N CA 0.085 52.804 53.050 -0.551 0.000 0.845 405 N CB -0.247 37.842 38.487 -0.664 0.000 1.004 405 N HN 0.306 nan 8.380 nan 0.000 0.499 406 D N 0.734 121.038 120.400 -0.161 0.000 2.325 406 D HA 0.003 4.646 4.640 0.005 0.000 0.251 406 D C 1.643 177.866 176.300 -0.128 0.000 1.196 406 D CA -0.496 53.410 54.000 -0.156 0.000 0.866 406 D CB 0.399 41.084 40.800 -0.192 0.000 1.101 406 D HN 0.281 nan 8.370 nan 0.000 0.476 407 W N 3.949 125.189 121.300 -0.099 0.000 2.421 407 W HA -0.141 4.522 4.660 0.005 0.000 0.270 407 W C 0.748 177.224 176.519 -0.072 0.000 1.233 407 W CA 0.562 57.853 57.345 -0.089 0.000 1.226 407 W CB -0.386 29.023 29.460 -0.086 0.000 1.121 407 W HN 0.348 nan 8.180 nan 0.000 0.579 408 E N 1.353 121.067 120.200 -0.810 0.000 2.502 408 E HA 0.270 4.623 4.350 0.005 0.000 0.194 408 E C 1.162 177.595 176.600 -0.279 0.000 1.062 408 E CA 0.922 56.868 56.400 -0.756 0.000 0.867 408 E CB -0.661 28.351 29.700 -1.146 0.000 0.888 408 E HN 0.215 nan 8.360 nan 0.000 0.510 409 G N 0.939 109.655 108.800 -0.140 0.000 2.814 409 G HA2 -0.212 3.751 3.960 0.005 0.000 0.677 409 G HA3 -0.212 3.751 3.960 0.005 0.000 0.677 409 G C -0.122 174.803 174.900 0.041 0.000 1.429 409 G CA -0.254 44.844 45.100 -0.003 0.000 0.868 409 G HN 0.687 nan 8.290 nan 0.000 0.553 410 V N -1.650 118.214 119.914 -0.083 0.000 2.532 410 V HA 0.823 4.946 4.120 0.005 0.000 0.295 410 V C 0.789 176.623 176.094 -0.432 0.000 1.041 410 V CA -0.549 61.575 62.300 -0.295 0.000 0.926 410 V CB 1.651 32.948 31.823 -0.876 0.000 0.992 410 V HN 1.181 nan 8.190 nan 0.000 0.457 411 K N 4.383 124.325 120.400 -0.763 0.000 2.437 411 K HA 0.138 4.461 4.320 0.005 0.000 0.277 411 K C -0.311 176.111 176.600 -0.296 0.000 1.073 411 K CA -0.090 55.644 56.287 -0.922 0.000 1.105 411 K CB 0.001 32.083 32.500 -0.696 0.000 0.881 411 K HN 0.679 nan 8.250 nan 0.000 0.475 412 I N 5.161 125.601 120.570 -0.216 0.000 2.352 412 I HA 0.011 4.184 4.170 0.005 0.000 0.290 412 I C 0.687 176.832 176.117 0.046 0.000 1.036 412 I CA 0.031 61.329 61.300 -0.005 0.000 1.336 412 I CB 1.137 39.157 38.000 0.033 0.000 1.407 412 I HN 0.787 nan 8.210 nan 0.000 0.497 413 D N 4.855 125.323 120.400 0.114 0.000 2.327 413 D HA 0.243 4.886 4.640 0.005 0.000 0.205 413 D C 0.518 176.906 176.300 0.147 0.000 0.989 413 D CA 0.608 54.688 54.000 0.133 0.000 0.873 413 D CB 1.031 41.945 40.800 0.191 0.000 0.955 413 D HN 0.596 nan 8.370 nan 0.000 0.515 414 A N 0.510 123.416 122.820 0.143 0.000 2.555 414 A HA 0.565 4.888 4.320 0.005 0.000 0.297 414 A C -1.314 176.360 177.584 0.150 0.000 1.060 414 A CA -0.607 51.537 52.037 0.178 0.000 0.710 414 A CB 1.036 20.027 19.000 -0.015 0.000 1.282 414 A HN -0.003 nan 8.150 nan 0.000 0.399 415 I N 2.573 123.261 120.570 0.196 0.000 2.404 415 I HA 0.431 4.604 4.170 0.005 0.000 0.293 415 I C -0.715 175.388 176.117 -0.022 0.000 0.992 415 I CA -0.523 60.796 61.300 0.031 0.000 1.149 415 I CB 1.599 39.604 38.000 0.007 0.000 1.315 415 I HN 0.494 nan 8.210 nan 0.000 0.446 416 L N 6.079 127.226 121.223 -0.125 0.000 2.322 416 L HA 0.537 4.880 4.340 0.005 0.000 0.281 416 L C -0.831 175.892 176.870 -0.244 0.000 1.014 416 L CA -0.461 54.352 54.840 -0.046 0.000 0.815 416 L CB 1.301 43.416 42.059 0.093 0.000 1.247 416 L HN 0.422 nan 8.230 nan 0.000 0.421 417 F N 0.795 120.785 119.950 0.067 0.000 2.421 417 F HA 0.723 5.253 4.527 0.005 0.000 0.337 417 F C 0.815 176.697 175.800 0.136 0.000 1.105 417 F CA -0.498 57.522 58.000 0.033 0.000 1.049 417 F CB 2.161 41.127 39.000 -0.056 0.000 1.139 417 F HN 0.470 nan 8.300 nan 0.000 0.479 418 G N 0.947 110.025 108.800 0.464 0.000 2.759 418 G HA2 0.588 4.551 3.960 0.005 0.000 0.297 418 G HA3 0.588 4.551 3.960 0.005 0.000 0.297 418 G C -1.398 173.592 174.900 0.150 0.000 1.434 418 G CA -0.615 44.620 45.100 0.225 0.000 0.980 418 G HN 0.956 nan 8.290 nan 0.000 0.531 419 G N -0.365 108.405 108.800 -0.050 0.000 2.866 419 G HA2 0.652 4.615 3.960 0.005 0.000 0.289 419 G HA3 0.652 4.615 3.960 0.005 0.000 0.289 419 G C -1.046 173.788 174.900 -0.110 0.000 1.396 419 G CA -0.971 44.086 45.100 -0.072 0.000 0.848 419 G HN 0.668 nan 8.290 nan 0.000 0.515 420 R N 0.723 121.114 120.500 -0.182 0.000 2.247 420 R HA 0.489 4.832 4.340 0.005 0.000 0.329 420 R C -0.770 175.441 176.300 -0.148 0.000 1.014 420 R CA -0.535 55.395 56.100 -0.283 0.000 0.907 420 R CB 0.245 30.076 30.300 -0.781 0.000 1.146 420 R HN 0.294 nan 8.270 nan 0.000 0.499 421 R N 3.068 123.573 120.500 0.008 0.000 2.532 421 R HA 0.295 4.638 4.340 0.005 0.000 0.297 421 R C -0.139 176.178 176.300 0.028 0.000 0.984 421 R CA -0.464 55.612 56.100 -0.041 0.000 0.884 421 R CB 2.041 32.281 30.300 -0.100 0.000 1.182 421 R HN 0.689 nan 8.270 nan 0.000 0.442 422 A N 1.633 124.444 122.820 -0.015 0.000 2.208 422 A HA -0.010 4.313 4.320 0.005 0.000 0.209 422 A C 0.117 177.678 177.584 -0.037 0.000 1.161 422 A CA 1.153 53.181 52.037 -0.015 0.000 0.782 422 A CB -0.331 18.631 19.000 -0.063 0.000 0.816 422 A HN 0.802 nan 8.150 nan 0.000 0.477 423 D N -6.417 113.949 120.400 -0.058 0.000 2.768 423 D HA 0.468 5.111 4.640 0.005 0.000 0.327 423 D C 0.369 176.605 176.300 -0.106 0.000 1.302 423 D CA 0.344 54.305 54.000 -0.066 0.000 0.897 423 D CB 0.145 40.901 40.800 -0.074 0.000 1.420 423 D HN -0.063 nan 8.370 nan 0.000 0.494 424 T N -1.860 112.640 114.554 -0.090 0.000 13.029 424 T HA -0.182 4.172 4.350 0.005 0.000 0.417 424 T C 0.408 175.148 174.700 0.067 0.000 1.457 424 T CA 1.355 63.351 62.100 -0.175 0.000 2.388 424 T CB -1.462 67.076 68.868 -0.550 0.000 2.799 424 T HN 0.616 nan 8.240 nan 0.000 0.661 425 V N 5.121 125.038 119.914 0.004 0.000 2.432 425 V HA 0.402 4.525 4.120 0.005 0.000 0.275 425 V C -2.050 174.095 176.094 0.085 0.000 1.043 425 V CA -1.650 60.736 62.300 0.144 0.000 0.925 425 V CB 1.294 33.134 31.823 0.029 0.000 0.985 425 V HN 0.244 nan 8.190 nan 0.000 0.466 426 P HA 0.045 nan 4.420 nan 0.000 0.271 426 P C 0.739 177.976 177.300 -0.105 0.000 1.244 426 P CA -0.372 62.718 63.100 -0.017 0.000 0.793 426 P CB 0.582 32.259 31.700 -0.038 0.000 0.984 427 L N 2.187 123.298 121.223 -0.187 0.000 2.046 427 L HA 0.017 4.360 4.340 0.005 0.000 0.208 427 L C 0.467 177.169 176.870 -0.281 0.000 1.077 427 L CA 1.976 56.645 54.840 -0.286 0.000 0.747 427 L CB -0.178 41.607 42.059 -0.456 0.000 0.896 427 L HN 0.200 nan 8.230 nan 0.000 0.432 428 V N -1.437 118.318 119.914 -0.266 0.000 3.000 428 V HA 0.573 4.696 4.120 0.005 0.000 0.300 428 V C -1.180 174.835 176.094 -0.132 0.000 1.251 428 V CA 0.190 62.398 62.300 -0.153 0.000 0.972 428 V CB 2.073 33.826 31.823 -0.118 0.000 1.065 428 V HN 0.430 nan 8.190 nan 0.000 0.431 429 T N 3.183 117.767 114.554 0.050 0.000 2.956 429 T HA 0.525 4.878 4.350 0.005 0.000 0.312 429 T C -0.972 173.799 174.700 0.119 0.000 1.151 429 T CA -0.450 61.689 62.100 0.066 0.000 1.024 429 T CB 1.887 70.722 68.868 -0.055 0.000 1.140 429 T HN 1.073 nan 8.240 nan 0.000 0.473 430 Q N 2.507 122.364 119.800 0.096 0.000 2.288 430 Q HA 0.457 4.800 4.340 0.005 0.000 0.254 430 Q C 0.587 176.357 176.000 -0.383 0.000 0.932 430 Q CA -0.571 54.980 55.803 -0.420 0.000 0.902 430 Q CB 1.001 29.564 28.738 -0.292 0.000 1.203 430 Q HN 0.939 nan 8.270 nan 0.000 0.415 431 T N 0.949 115.234 114.554 -0.447 0.000 2.698 431 T HA 0.079 4.432 4.350 0.005 0.000 0.295 431 T C 0.596 175.204 174.700 -0.154 0.000 1.007 431 T CA 0.167 62.034 62.100 -0.388 0.000 0.980 431 T CB 0.278 68.826 68.868 -0.533 0.000 1.036 431 T HN 0.701 nan 8.240 nan 0.000 0.526 432 Y N 0.514 120.955 120.300 0.234 0.000 2.436 432 Y HA 0.222 4.775 4.550 0.005 0.000 0.288 432 Y C 0.984 176.979 175.900 0.158 0.000 1.112 432 Y CA -0.011 58.149 58.100 0.101 0.000 1.220 432 Y CB 0.356 38.802 38.460 -0.023 0.000 1.073 432 Y HN 0.900 nan 8.280 nan 0.000 0.552 433 D N -4.867 115.727 120.400 0.323 0.000 3.010 433 D HA -0.108 4.535 4.640 0.005 0.000 0.353 433 D C 0.075 176.564 176.300 0.314 0.000 1.415 433 D CA -0.809 53.370 54.000 0.299 0.000 0.864 433 D CB -0.416 40.553 40.800 0.282 0.000 1.445 433 D HN -0.010 nan 8.370 nan 0.000 0.516 434 W N 0.013 121.412 121.300 0.165 0.000 2.467 434 W HA 0.015 4.679 4.660 0.005 0.000 0.275 434 W C 0.986 177.624 176.519 0.197 0.000 1.239 434 W CA 1.416 58.873 57.345 0.188 0.000 1.266 434 W CB 0.361 29.929 29.460 0.180 0.000 1.112 434 W HN 0.513 nan 8.180 nan 0.000 0.576 435 E N -1.298 119.082 120.200 0.301 0.000 2.170 435 E HA -0.155 4.198 4.350 0.005 0.000 0.191 435 E C 2.051 178.740 176.600 0.149 0.000 0.981 435 E CA 1.102 57.630 56.400 0.213 0.000 0.830 435 E CB -0.727 29.109 29.700 0.227 0.000 0.775 435 E HN 0.340 nan 8.360 nan 0.000 0.470 436 H N -1.081 118.030 119.070 0.069 0.000 2.326 436 H HA -0.042 4.517 4.556 0.005 0.000 0.301 436 H C 1.855 177.135 175.328 -0.079 0.000 1.081 436 H CA 1.295 57.352 56.048 0.015 0.000 1.334 436 H CB 0.082 29.871 29.762 0.045 0.000 1.385 436 H HN 0.265 nan 8.280 nan 0.000 0.504 437 G N -0.685 107.933 108.800 -0.304 0.000 2.484 437 G HA2 -0.176 3.787 3.960 0.005 0.000 0.218 437 G HA3 -0.176 3.787 3.960 0.005 0.000 0.218 437 G C 1.612 176.284 174.900 -0.381 0.000 1.130 437 G CA 0.889 45.778 45.100 -0.352 0.000 0.784 437 G HN 0.380 nan 8.290 nan 0.000 0.543 438 T N 0.984 115.303 114.554 -0.392 0.000 2.746 438 T HA -0.120 4.234 4.350 0.005 0.000 0.267 438 T C 2.244 176.697 174.700 -0.411 0.000 1.039 438 T CA 1.220 63.041 62.100 -0.465 0.000 1.142 438 T CB -0.170 68.568 68.868 -0.216 0.000 0.866 438 T HN 0.237 nan 8.240 nan 0.000 0.444 439 M N 1.227 120.690 119.600 -0.228 0.000 2.099 439 M HA -0.093 4.390 4.480 0.005 0.000 0.262 439 M C 2.204 178.376 176.300 -0.213 0.000 1.067 439 M CA 1.521 56.733 55.300 -0.147 0.000 1.124 439 M CB -0.495 32.127 32.600 0.036 0.000 1.353 439 M HN 0.112 nan 8.290 nan 0.000 0.410 440 V N 1.011 120.754 119.914 -0.285 0.000 2.324 440 V HA -0.253 3.870 4.120 0.005 0.000 0.250 440 V C 2.713 178.495 176.094 -0.519 0.000 1.060 440 V CA 2.157 64.274 62.300 -0.305 0.000 1.042 440 V CB -1.986 29.627 31.823 -0.350 0.000 0.650 440 V HN 0.733 nan 8.190 nan 0.000 0.450 441 G N -0.385 107.853 108.800 -0.937 0.000 2.446 441 G HA2 -0.258 3.705 3.960 0.005 0.000 0.217 441 G HA3 -0.258 3.705 3.960 0.005 0.000 0.217 441 G C 1.793 176.250 174.900 -0.739 0.000 1.168 441 G CA 1.182 45.395 45.100 -1.479 0.000 0.771 441 G HN 0.641 nan 8.290 nan 0.000 0.551 442 A N 0.409 122.934 122.820 -0.491 0.000 1.917 442 A HA 0.060 4.384 4.320 0.005 0.000 0.219 442 A C 2.256 179.783 177.584 -0.094 0.000 1.182 442 A CA 1.330 53.236 52.037 -0.220 0.000 0.633 442 A CB -0.346 18.544 19.000 -0.184 0.000 0.819 442 A HN 0.377 nan 8.150 nan 0.000 0.448 443 L N -0.691 120.457 121.223 -0.125 0.000 2.611 443 L HA 0.216 4.559 4.340 0.005 0.000 0.229 443 L C 0.395 177.221 176.870 -0.074 0.000 1.137 443 L CA -0.535 54.288 54.840 -0.027 0.000 0.901 443 L CB -0.243 41.837 42.059 0.035 0.000 1.098 443 L HN 0.327 nan 8.230 nan 0.000 0.456 444 L N 1.326 122.451 121.223 -0.162 0.000 2.416 444 L HA 0.473 4.816 4.340 0.005 0.000 0.272 444 L C 0.110 176.866 176.870 -0.189 0.000 1.161 444 L CA 0.421 55.160 54.840 -0.168 0.000 0.845 444 L CB 0.681 42.627 42.059 -0.188 0.000 1.119 444 L HN 0.056 nan 8.230 nan 0.000 0.464 445 A N 3.177 125.852 122.820 -0.242 0.000 2.606 445 A HA 0.787 5.111 4.320 0.005 0.000 0.293 445 A C -0.935 176.490 177.584 -0.265 0.000 1.082 445 A CA -0.614 51.205 52.037 -0.364 0.000 0.685 445 A CB 1.330 19.963 19.000 -0.612 0.000 1.284 445 A HN 0.615 nan 8.150 nan 0.000 0.408 446 S N 0.010 115.556 115.700 -0.257 0.000 2.593 446 S HA 0.699 5.172 4.470 0.005 0.000 0.297 446 S C 0.872 175.331 174.600 -0.235 0.000 1.112 446 S CA -0.040 58.025 58.200 -0.225 0.000 1.043 446 S CB 1.587 64.664 63.200 -0.204 0.000 1.054 446 S HN 1.489 nan 8.310 nan 0.000 0.516 459 T N -0.606 113.908 114.554 -0.066 0.000 3.401 459 T HA 0.407 4.760 4.350 0.005 0.000 0.225 459 T C 1.346 175.973 174.700 -0.122 0.000 0.961 459 T CA 1.056 63.106 62.100 -0.084 0.000 1.429 459 T CB -1.175 67.643 68.868 -0.084 0.000 1.213 459 T HN 1.934 nan 8.240 nan 0.000 0.440 460 L N 1.135 122.256 121.223 -0.171 0.000 4.444 460 L HA -0.020 4.323 4.340 0.005 0.000 0.550 460 L C -0.213 176.448 176.870 -0.350 0.000 1.072 460 L CA -0.158 54.519 54.840 -0.272 0.000 0.526 460 L CB -0.637 41.215 42.059 -0.345 0.000 0.633 460 L HN 0.242 nan 8.230 nan 0.000 1.083 461 R N 3.343 123.650 120.500 -0.320 0.000 2.248 461 R HA 0.319 4.662 4.340 0.005 0.000 0.337 461 R C -0.262 175.816 176.300 -0.371 0.000 1.106 461 R CA -0.180 55.753 56.100 -0.279 0.000 0.959 461 R CB -0.183 30.008 30.300 -0.182 0.000 1.075 461 R HN 0.662 nan 8.270 nan 0.000 0.480 462 H N 1.704 120.561 119.070 -0.355 0.000 2.764 462 H HA 0.075 4.634 4.556 0.005 0.000 0.341 462 H C -0.367 174.784 175.328 -0.296 0.000 1.072 462 H CA 0.618 56.363 56.048 -0.505 0.000 1.444 462 H CB 1.127 30.214 29.762 -1.126 0.000 1.458 462 H HN 0.433 nan 8.280 nan 0.000 0.572 463 D N 4.316 124.653 120.400 -0.106 0.000 2.823 463 D HA 0.137 4.780 4.640 0.005 0.000 0.255 463 D C -2.721 173.579 176.300 0.000 0.000 1.257 463 D CA -1.648 52.340 54.000 -0.020 0.000 0.803 463 D CB 0.760 41.557 40.800 -0.006 0.000 1.384 463 D HN 0.231 nan 8.370 nan 0.000 0.541 464 P HA -0.001 nan 4.420 nan 0.000 0.258 464 P C 0.425 177.721 177.300 -0.006 0.000 1.187 464 P CA -0.005 63.092 63.100 -0.004 0.000 0.767 464 P CB 0.527 32.281 31.700 0.090 0.000 0.770 465 M N 2.137 121.670 119.600 -0.113 0.000 2.762 465 M HA -0.272 4.211 4.480 0.005 0.000 0.190 465 M C 0.788 177.252 176.300 0.273 0.000 0.586 465 M CA 1.141 56.475 55.300 0.057 0.000 0.620 465 M CB -2.625 30.118 32.600 0.238 0.000 2.269 465 M HN 0.593 nan 8.290 nan 0.000 0.563 466 A N -1.484 121.454 122.820 0.197 0.000 2.748 466 A HA -0.252 4.071 4.320 0.005 0.000 0.297 466 A C 1.126 178.971 177.584 0.435 0.000 1.508 466 A CA 1.693 53.895 52.037 0.274 0.000 0.799 466 A CB -1.006 18.145 19.000 0.252 0.000 1.011 466 A HN 0.620 nan 8.150 nan 0.000 0.500 467 M N -1.281 118.495 119.600 0.293 0.000 2.412 467 M HA 0.247 4.730 4.480 0.005 0.000 0.315 467 M C 1.532 177.877 176.300 0.075 0.000 1.092 467 M CA 0.140 55.609 55.300 0.282 0.000 0.974 467 M CB -0.317 32.334 32.600 0.084 0.000 1.437 467 M HN 0.647 nan 8.290 nan 0.000 0.524 468 L N 1.430 122.656 121.223 0.005 0.000 2.012 468 L HA -0.146 4.197 4.340 0.005 0.000 0.210 468 L C -0.628 176.091 176.870 -0.251 0.000 1.073 468 L CA 1.991 56.774 54.840 -0.095 0.000 0.748 468 L CB -1.136 40.901 42.059 -0.037 0.000 0.891 468 L HN 0.169 nan 8.230 nan 0.000 0.431 469 P HA -0.090 nan 4.420 nan 0.000 0.230 469 P C 0.533 177.265 177.300 -0.947 0.000 1.158 469 P CA 1.327 63.917 63.100 -0.850 0.000 0.769 469 P CB 0.033 30.941 31.700 -1.321 0.000 0.807 470 F N -2.168 117.743 119.950 -0.066 0.000 2.746 470 F HA 0.299 4.830 4.527 0.006 0.000 0.320 470 F C 0.877 176.631 175.800 -0.077 0.000 1.097 470 F CA -0.632 57.334 58.000 -0.056 0.000 1.195 470 F CB -0.238 38.716 39.000 -0.077 0.000 1.056 470 F HN -0.314 nan 8.300 nan 0.000 0.562 471 I N 1.580 122.095 120.570 -0.091 0.000 2.581 471 I HA 0.069 4.242 4.170 0.005 0.000 0.285 471 I C 1.531 177.582 176.117 -0.109 0.000 1.129 471 I CA 0.252 61.407 61.300 -0.241 0.000 1.397 471 I CB 0.479 38.161 38.000 -0.530 0.000 1.399 471 I HN 0.295 nan 8.210 nan 0.000 0.537 472 G N 6.203 115.027 108.800 0.039 0.000 2.920 472 G HA2 0.072 4.035 3.960 0.005 0.000 0.208 472 G HA3 0.072 4.035 3.960 0.005 0.000 0.208 472 G C 0.238 175.303 174.900 0.275 0.000 1.159 472 G CA 0.269 45.474 45.100 0.175 0.000 0.784 472 G HN 0.775 nan 8.290 nan 0.000 0.535 473 Y N -2.819 117.495 120.300 0.024 0.000 3.097 473 Y HA 0.490 5.043 4.550 0.005 0.000 0.291 473 Y C -0.307 175.595 175.900 0.003 0.000 1.799 473 Y CA -1.648 56.466 58.100 0.022 0.000 1.074 473 Y CB 0.379 38.856 38.460 0.029 0.000 1.789 473 Y HN -0.194 nan 8.280 nan 0.000 0.446 474 N N 0.987 119.708 118.700 0.035 0.000 2.452 474 N HA 0.105 4.848 4.740 0.005 0.000 0.266 474 N C 0.917 176.321 175.510 -0.177 0.000 1.175 474 N CA 0.856 53.870 53.050 -0.061 0.000 0.945 474 N CB 1.765 40.275 38.487 0.037 0.000 1.063 474 N HN 0.913 nan 8.380 nan 0.000 0.472 475 A N 4.054 126.747 122.820 -0.211 0.000 1.948 475 A HA -0.152 4.171 4.320 0.005 0.000 0.220 475 A C 1.928 179.492 177.584 -0.034 0.000 1.177 475 A CA 2.075 54.002 52.037 -0.182 0.000 0.636 475 A CB -0.917 17.959 19.000 -0.205 0.000 0.815 475 A HN 0.760 nan 8.150 nan 0.000 0.449 476 G N -1.147 107.615 108.800 -0.064 0.000 2.403 476 G HA2 -0.161 3.802 3.960 0.005 0.000 0.216 476 G HA3 -0.161 3.802 3.960 0.005 0.000 0.216 476 G C 1.462 176.393 174.900 0.051 0.000 1.154 476 G CA 0.911 45.993 45.100 -0.030 0.000 0.784 476 G HN 0.641 nan 8.290 nan 0.000 0.538 477 E N -0.535 119.725 120.200 0.099 0.000 2.110 477 E HA -0.186 4.167 4.350 0.005 0.000 0.193 477 E C 1.981 178.774 176.600 0.322 0.000 0.988 477 E CA 0.781 57.314 56.400 0.220 0.000 0.804 477 E CB -0.258 29.647 29.700 0.342 0.000 0.745 477 E HN 0.554 nan 8.360 nan 0.000 0.458 478 Y N 1.190 121.540 120.300 0.084 0.000 2.165 478 Y HA -0.224 4.329 4.550 0.005 0.000 0.286 478 Y C 1.833 177.889 175.900 0.259 0.000 1.155 478 Y CA 1.694 59.840 58.100 0.076 0.000 1.164 478 Y CB -0.262 38.015 38.460 -0.305 0.000 0.978 478 Y HN 0.010 nan 8.280 nan 0.000 0.513 479 L N 0.210 121.486 121.223 0.089 0.000 2.187 479 L HA -0.216 4.127 4.340 0.005 0.000 0.213 479 L C 2.481 179.424 176.870 0.122 0.000 1.100 479 L CA 1.579 56.436 54.840 0.028 0.000 0.765 479 L CB -0.611 41.434 42.059 -0.022 0.000 0.904 479 L HN 0.275 nan 8.230 nan 0.000 0.437 480 Q N 0.379 120.252 119.800 0.121 0.000 2.187 480 Q HA -0.152 4.192 4.340 0.005 0.000 0.199 480 Q C 1.899 177.979 176.000 0.132 0.000 0.957 480 Q CA 1.396 57.271 55.803 0.120 0.000 0.857 480 Q CB -0.202 28.598 28.738 0.103 0.000 0.929 480 Q HN 0.411 nan 8.270 nan 0.000 0.453 481 N N -0.965 117.814 118.700 0.131 0.000 2.043 481 N HA -0.189 4.554 4.740 0.005 0.000 0.193 481 N C 1.231 176.779 175.510 0.063 0.000 1.037 481 N CA 1.577 54.670 53.050 0.073 0.000 0.851 481 N CB -0.226 38.302 38.487 0.070 0.000 1.027 481 N HN 0.324 nan 8.380 nan 0.000 0.422 482 W N 1.585 122.871 121.300 -0.024 0.000 2.318 482 W HA -0.139 4.524 4.660 0.005 0.000 0.313 482 W C 2.302 179.052 176.519 0.385 0.000 1.221 482 W CA 0.497 57.947 57.345 0.174 0.000 1.266 482 W CB -0.544 28.908 29.460 -0.014 0.000 1.150 482 W HN 0.135 nan 8.180 nan 0.000 0.496 483 I N -0.109 120.729 120.570 0.448 0.000 2.179 483 I HA -0.247 3.926 4.170 0.005 0.000 0.242 483 I C 1.751 178.007 176.117 0.231 0.000 1.088 483 I CA 1.682 63.192 61.300 0.350 0.000 1.357 483 I CB -1.685 36.444 38.000 0.214 0.000 1.051 483 I HN -0.009 nan 8.210 nan 0.000 0.409 484 D N 0.258 120.751 120.400 0.154 0.000 2.178 484 D HA -0.204 4.439 4.640 0.005 0.000 0.201 484 D C 2.116 178.439 176.300 0.040 0.000 0.980 484 D CA 1.124 55.170 54.000 0.078 0.000 0.842 484 D CB -0.126 40.703 40.800 0.048 0.000 0.948 484 D HN 0.215 nan 8.370 nan 0.000 0.472 485 M N 0.027 119.653 119.600 0.044 0.000 2.193 485 M HA 0.115 4.598 4.480 0.005 0.000 0.265 485 M C 1.907 178.082 176.300 -0.209 0.000 1.071 485 M CA 1.382 56.644 55.300 -0.063 0.000 1.140 485 M CB -0.326 32.225 32.600 -0.082 0.000 1.369 485 M HN -0.034 nan 8.290 nan 0.000 0.423 486 G N -0.256 108.430 108.800 -0.190 0.000 2.559 486 G HA2 -0.166 3.797 3.960 0.005 0.000 0.216 486 G HA3 -0.166 3.797 3.960 0.005 0.000 0.216 486 G C 1.371 176.182 174.900 -0.148 0.000 1.126 486 G CA 0.633 45.423 45.100 -0.517 0.000 0.778 486 G HN 0.449 nan 8.290 nan 0.000 0.543 487 N N 0.097 118.777 118.700 -0.032 0.000 2.409 487 N HA 0.055 4.798 4.740 0.005 0.000 0.174 487 N C 2.027 177.521 175.510 -0.026 0.000 1.037 487 N CA 0.386 53.438 53.050 0.003 0.000 0.898 487 N CB 0.086 38.599 38.487 0.042 0.000 1.010 487 N HN 0.284 nan 8.380 nan 0.000 0.445 488 K N -0.102 120.268 120.400 -0.051 0.000 2.062 488 K HA 0.051 4.374 4.320 0.005 0.000 0.205 488 K C 1.699 178.258 176.600 -0.068 0.000 1.051 488 K CA 1.206 57.464 56.287 -0.049 0.000 0.941 488 K CB 0.011 32.483 32.500 -0.045 0.000 0.719 488 K HN 0.091 nan 8.250 nan 0.000 0.440 489 G N -0.493 108.232 108.800 -0.125 0.000 3.020 489 G HA2 0.187 4.150 3.960 0.005 0.000 0.217 489 G HA3 0.187 4.150 3.960 0.005 0.000 0.217 489 G C 0.940 175.770 174.900 -0.117 0.000 1.144 489 G CA 0.361 45.384 45.100 -0.129 0.000 0.760 489 G HN 0.399 nan 8.290 nan 0.000 0.548 490 G N 2.151 110.886 108.800 -0.110 0.000 2.690 490 G HA2 -0.504 3.459 3.960 0.005 0.000 0.362 490 G HA3 -0.504 3.459 3.960 0.005 0.000 0.362 490 G C 1.295 176.173 174.900 -0.036 0.000 1.132 490 G CA 1.296 46.365 45.100 -0.051 0.000 0.922 490 G HN 0.524 nan 8.290 nan 0.000 0.595 491 D N 0.196 120.591 120.400 -0.009 0.000 2.317 491 D HA 0.021 4.664 4.640 0.005 0.000 0.211 491 D C 1.405 177.714 176.300 0.016 0.000 0.966 491 D CA 0.886 54.897 54.000 0.018 0.000 0.876 491 D CB 0.126 40.940 40.800 0.023 0.000 0.927 491 D HN 0.243 nan 8.370 nan 0.000 0.519 492 K N 0.395 120.788 120.400 -0.011 0.000 2.861 492 K HA 0.231 4.554 4.320 0.005 0.000 0.210 492 K C -0.300 176.273 176.600 -0.044 0.000 1.112 492 K CA -0.584 55.700 56.287 -0.005 0.000 1.076 492 K CB 0.208 32.713 32.500 0.009 0.000 0.853 492 K HN 0.030 nan 8.250 nan 0.000 0.463 493 M N 2.023 121.572 119.600 -0.084 0.000 2.314 493 M HA 0.339 4.822 4.480 0.005 0.000 0.342 493 M C -2.110 174.200 176.300 0.017 0.000 1.171 493 M CA -3.063 52.121 55.300 -0.194 0.000 1.098 493 M CB 0.833 33.171 32.600 -0.436 0.000 1.559 493 M HN -0.029 nan 8.290 nan 0.000 0.459 494 P HA 0.162 nan 4.420 nan 0.000 0.278 494 P C -0.554 176.970 177.300 0.374 0.000 1.238 494 P CA -0.356 62.876 63.100 0.220 0.000 0.794 494 P CB 0.787 32.616 31.700 0.216 0.000 0.955 495 S N 2.023 117.920 115.700 0.329 0.000 2.584 495 S HA 0.255 4.728 4.470 0.005 0.000 0.270 495 S C 0.079 174.875 174.600 0.326 0.000 1.346 495 S CA -0.450 57.937 58.200 0.313 0.000 1.018 495 S CB -0.403 62.949 63.200 0.254 0.000 0.899 495 S HN 0.304 nan 8.310 nan 0.000 0.542 496 I N 3.054 123.684 120.570 0.101 0.000 2.404 496 I HA 0.462 4.635 4.170 0.005 0.000 0.293 496 I C -1.045 174.963 176.117 -0.181 0.000 0.992 496 I CA -0.555 60.780 61.300 0.059 0.000 1.149 496 I CB 1.362 39.359 38.000 -0.006 0.000 1.315 496 I HN 0.511 nan 8.210 nan 0.000 0.446 497 F N 5.927 125.896 119.950 0.032 0.000 2.546 497 F HA 0.605 5.135 4.527 0.005 0.000 0.320 497 F C -0.417 175.411 175.800 0.047 0.000 1.076 497 F CA -0.864 57.170 58.000 0.057 0.000 0.928 497 F CB 1.887 40.947 39.000 0.100 0.000 1.189 497 F HN 0.178 nan 8.300 nan 0.000 0.465 498 L N 4.291 125.612 121.223 0.163 0.000 2.346 498 L HA 0.930 5.273 4.340 0.005 0.000 0.276 498 L C -1.106 175.793 176.870 0.048 0.000 1.006 498 L CA -0.725 54.181 54.840 0.111 0.000 0.817 498 L CB 1.696 43.783 42.059 0.048 0.000 1.272 498 L HN 0.470 nan 8.230 nan 0.000 0.421 499 V N 1.506 121.376 119.914 -0.073 0.000 3.007 499 V HA 0.763 4.886 4.120 0.005 0.000 0.311 499 V C -1.284 174.538 176.094 -0.454 0.000 1.120 499 V CA -0.609 61.500 62.300 -0.317 0.000 0.980 499 V CB 1.928 33.387 31.823 -0.606 0.000 1.033 499 V HN 0.936 nan 8.190 nan 0.000 0.429 500 N N 1.426 119.823 118.700 -0.505 0.000 2.478 500 N HA 0.459 5.202 4.740 0.005 0.000 0.291 500 N C -0.734 174.604 175.510 -0.286 0.000 1.090 500 N CA -0.755 52.073 53.050 -0.370 0.000 0.911 500 N CB 1.749 40.157 38.487 -0.132 0.000 1.546 500 N HN 0.928 nan 8.380 nan 0.000 0.500 501 W N 2.074 123.203 121.300 -0.284 0.000 3.211 501 W HA 0.326 4.989 4.660 0.005 0.000 0.292 501 W C 0.101 176.246 176.519 -0.623 0.000 1.268 501 W CA -0.477 56.520 57.345 -0.581 0.000 1.702 501 W CB 0.391 29.267 29.460 -0.973 0.000 1.092 501 W HN 0.394 nan 8.180 nan 0.000 0.643 502 F N 0.500 120.588 119.950 0.230 0.000 2.850 502 F HA 0.365 4.895 4.527 0.006 0.000 0.306 502 F C 1.131 177.080 175.800 0.247 0.000 1.162 502 F CA -0.879 57.334 58.000 0.355 0.000 1.327 502 F CB -0.457 38.705 39.000 0.270 0.000 0.953 502 F HN -0.400 nan 8.300 nan 0.000 0.507 503 R N 1.141 121.791 120.500 0.251 0.000 2.863 503 R HA 0.500 4.843 4.340 0.005 0.000 0.273 503 R C -0.140 176.211 176.300 0.085 0.000 1.057 503 R CA 0.293 56.477 56.100 0.141 0.000 1.191 503 R CB 0.551 30.896 30.300 0.074 0.000 1.104 503 R HN 0.247 nan 8.270 nan 0.000 0.519 504 R N -0.360 120.131 120.500 -0.015 0.000 2.698 504 R HA 0.412 4.755 4.340 0.005 0.000 0.275 504 R C -0.512 175.757 176.300 -0.052 0.000 1.001 504 R CA -0.641 55.400 56.100 -0.098 0.000 0.896 504 R CB 2.136 32.303 30.300 -0.221 0.000 1.218 504 R HN 0.779 nan 8.270 nan 0.000 0.462 505 G N 0.897 109.670 108.800 -0.045 0.000 2.532 505 G HA2 0.265 4.228 3.960 0.005 0.000 0.291 505 G HA3 0.265 4.228 3.960 0.005 0.000 0.291 505 G C -0.109 174.762 174.900 -0.049 0.000 1.349 505 G CA -0.375 44.708 45.100 -0.029 0.000 1.038 505 G HN 0.473 nan 8.290 nan 0.000 0.518 506 E N -0.759 119.420 120.200 -0.035 0.000 4.456 506 E HA 0.022 4.375 4.350 0.005 0.000 0.581 506 E C 1.425 177.995 176.600 -0.049 0.000 0.549 506 E CA 0.833 57.210 56.400 -0.039 0.000 3.939 506 E CB -0.186 29.498 29.700 -0.026 0.000 2.250 506 E HN 0.520 nan 8.360 nan 0.000 0.300 507 D N -1.276 119.103 120.400 -0.035 0.000 2.984 507 D HA -0.299 4.344 4.640 0.005 0.000 0.180 507 D C 0.976 177.245 176.300 -0.052 0.000 1.316 507 D CA 2.971 56.952 54.000 -0.033 0.000 0.991 507 D CB -1.046 39.740 40.800 -0.023 0.000 0.957 507 D HN 0.661 nan 8.370 nan 0.000 0.469 508 G N -0.362 108.386 108.800 -0.085 0.000 2.168 508 G HA2 -0.395 3.568 3.960 0.005 0.000 0.263 508 G HA3 -0.395 3.568 3.960 0.005 0.000 0.263 508 G C 0.287 175.049 174.900 -0.230 0.000 0.977 508 G CA 0.988 46.002 45.100 -0.143 0.000 0.659 508 G HN 0.906 nan 8.290 nan 0.000 0.533 509 R N -0.585 119.821 120.500 -0.156 0.000 2.490 509 R HA 0.605 4.948 4.340 0.005 0.000 0.278 509 R C -0.365 175.826 176.300 -0.181 0.000 1.069 509 R CA -0.719 55.319 56.100 -0.104 0.000 1.080 509 R CB 0.592 30.890 30.300 -0.003 0.000 1.030 509 R HN 0.027 nan 8.270 nan 0.000 0.491 510 F N 1.976 121.960 119.950 0.056 0.000 2.443 510 F HA 0.114 4.644 4.527 0.005 0.000 0.353 510 F C 1.109 176.945 175.800 0.060 0.000 1.101 510 F CA -0.535 57.505 58.000 0.067 0.000 1.226 510 F CB 0.959 39.999 39.000 0.067 0.000 1.140 510 F HN 0.412 nan 8.300 nan 0.000 0.557 511 L N 3.380 124.764 121.223 0.268 0.000 2.585 511 L HA 0.118 4.461 4.340 0.005 0.000 0.226 511 L C -0.569 176.470 176.870 0.281 0.000 1.113 511 L CA 0.262 55.223 54.840 0.202 0.000 0.876 511 L CB -0.192 41.962 42.059 0.159 0.000 1.072 511 L HN 0.545 nan 8.230 nan 0.000 0.468 512 W N 0.326 121.665 121.300 0.065 0.000 3.211 512 W HA 0.300 4.963 4.660 0.005 0.000 0.335 512 W C -2.312 174.165 176.519 -0.070 0.000 1.113 512 W CA -1.331 56.006 57.345 -0.014 0.000 1.235 512 W CB 2.146 31.591 29.460 -0.025 0.000 1.365 512 W HN -0.122 nan 8.180 nan 0.000 0.476 513 P HA 0.126 nan 4.420 nan 0.000 0.227 513 P C 1.032 178.076 177.300 -0.426 0.000 1.161 513 P CA 1.763 64.627 63.100 -0.393 0.000 0.788 513 P CB 0.583 32.052 31.700 -0.386 0.000 0.822 514 G N -0.857 107.502 108.800 -0.735 0.000 2.552 514 G HA2 -0.269 3.694 3.960 0.005 0.000 0.265 514 G HA3 -0.269 3.694 3.960 0.005 0.000 0.265 514 G C 0.074 174.676 174.900 -0.497 0.000 1.234 514 G CA -0.175 44.547 45.100 -0.629 0.000 0.944 514 G HN 0.141 nan 8.290 nan 0.000 0.568 515 F N -1.900 117.769 119.950 -0.468 0.000 2.169 515 F HA -0.248 4.282 4.527 0.005 0.000 0.314 515 F C 2.607 178.213 175.800 -0.323 0.000 0.318 515 F CA 2.663 60.457 58.000 -0.342 0.000 0.904 515 F CB -1.675 37.171 39.000 -0.257 0.000 4.078 515 F HN 1.683 nan 8.300 nan 0.000 0.173 516 G N -0.273 108.524 108.800 -0.005 0.000 2.462 516 G HA2 -0.214 3.749 3.960 0.005 0.000 0.220 516 G HA3 -0.214 3.749 3.960 0.005 0.000 0.220 516 G C 1.078 175.893 174.900 -0.143 0.000 1.121 516 G CA 1.261 46.314 45.100 -0.077 0.000 0.758 516 G HN 0.661 nan 8.290 nan 0.000 0.559 517 D N 0.989 121.268 120.400 -0.202 0.000 2.263 517 D HA -0.093 4.550 4.640 0.005 0.000 0.208 517 D C 1.915 178.121 176.300 -0.156 0.000 0.971 517 D CA 0.550 54.382 54.000 -0.280 0.000 0.867 517 D CB -0.110 40.381 40.800 -0.515 0.000 0.929 517 D HN 0.205 nan 8.370 nan 0.000 0.492 518 N N 0.644 119.206 118.700 -0.231 0.000 2.453 518 N HA -0.120 4.623 4.740 0.005 0.000 0.183 518 N C 1.840 177.253 175.510 -0.161 0.000 1.041 518 N CA 0.578 53.455 53.050 -0.288 0.000 0.900 518 N CB -0.258 37.611 38.487 -1.030 0.000 0.961 518 N HN 0.193 nan 8.380 nan 0.000 0.443 519 S N 1.330 116.936 115.700 -0.156 0.000 2.402 519 S HA -0.136 4.337 4.470 0.005 0.000 0.233 519 S C 1.831 176.292 174.600 -0.231 0.000 1.030 519 S CA 0.748 58.833 58.200 -0.191 0.000 1.003 519 S CB -0.141 62.943 63.200 -0.192 0.000 0.813 519 S HN 0.280 nan 8.310 nan 0.000 0.477 520 R N 0.273 120.726 120.500 -0.079 0.000 2.148 520 R HA 0.122 4.465 4.340 0.005 0.000 0.227 520 R C 2.194 178.528 176.300 0.056 0.000 1.103 520 R CA 1.137 57.237 56.100 -0.000 0.000 0.983 520 R CB -0.501 29.907 30.300 0.178 0.000 0.874 520 R HN 0.367 nan 8.270 nan 0.000 0.451 521 V N 1.094 121.052 119.914 0.073 0.000 2.548 521 V HA -0.138 3.985 4.120 0.005 0.000 0.249 521 V C 2.014 178.153 176.094 0.075 0.000 1.055 521 V CA 1.412 63.748 62.300 0.059 0.000 1.065 521 V CB -0.267 31.610 31.823 0.090 0.000 0.681 521 V HN 0.269 nan 8.190 nan 0.000 0.462 522 L N -0.149 121.056 121.223 -0.031 0.000 2.291 522 L HA -0.080 4.263 4.340 0.005 0.000 0.214 522 L C 2.488 179.204 176.870 -0.257 0.000 1.120 522 L CA 1.258 56.026 54.840 -0.120 0.000 0.799 522 L CB -0.540 41.448 42.059 -0.118 0.000 0.925 522 L HN 0.289 nan 8.230 nan 0.000 0.446 523 K N 0.043 120.235 120.400 -0.347 0.000 2.031 523 K HA -0.227 4.096 4.320 0.005 0.000 0.205 523 K C 2.123 178.634 176.600 -0.150 0.000 1.049 523 K CA 1.313 57.337 56.287 -0.439 0.000 0.939 523 K CB -0.296 31.825 32.500 -0.632 0.000 0.717 523 K HN 0.198 nan 8.250 nan 0.000 0.438 524 W N 1.699 122.892 121.300 -0.178 0.000 2.290 524 W HA -0.323 4.340 4.660 0.005 0.000 0.318 524 W C 1.768 178.212 176.519 -0.124 0.000 1.248 524 W CA 2.127 59.413 57.345 -0.099 0.000 1.263 524 W CB -0.543 28.877 29.460 -0.066 0.000 1.147 524 W HN -0.112 nan 8.180 nan 0.000 0.494 525 V N 0.776 120.638 119.914 -0.087 0.000 2.295 525 V HA -0.337 3.786 4.120 0.005 0.000 0.246 525 V C 2.203 177.995 176.094 -0.503 0.000 1.049 525 V CA 2.173 64.207 62.300 -0.444 0.000 1.024 525 V CB -0.917 30.548 31.823 -0.597 0.000 0.648 525 V HN 0.223 nan 8.190 nan 0.000 0.447 526 I N 0.049 120.365 120.570 -0.423 0.000 2.226 526 I HA -0.231 3.942 4.170 0.005 0.000 0.245 526 I C 2.265 178.121 176.117 -0.435 0.000 1.100 526 I CA 1.515 62.520 61.300 -0.490 0.000 1.374 526 I CB -0.467 37.171 38.000 -0.604 0.000 1.057 526 I HN 0.330 nan 8.210 nan 0.000 0.413 527 D N 0.370 120.539 120.400 -0.385 0.000 2.144 527 D HA -0.203 4.440 4.640 0.005 0.000 0.199 527 D C 2.178 178.241 176.300 -0.395 0.000 0.984 527 D CA 1.020 54.798 54.000 -0.369 0.000 0.834 527 D CB -0.186 40.457 40.800 -0.261 0.000 0.955 527 D HN 0.112 nan 8.370 nan 0.000 0.465 528 R N 1.332 121.505 120.500 -0.546 0.000 2.061 528 R HA -0.052 4.291 4.340 0.005 0.000 0.230 528 R C 2.398 178.614 176.300 -0.140 0.000 1.140 528 R CA 1.076 56.906 56.100 -0.450 0.000 0.940 528 R CB -0.948 28.959 30.300 -0.654 0.000 0.839 528 R HN 0.357 nan 8.270 nan 0.000 0.429 529 I N -1.162 119.367 120.570 -0.068 0.000 2.567 529 I HA -0.122 4.051 4.170 0.005 0.000 0.257 529 I C 1.393 177.512 176.117 0.004 0.000 1.184 529 I CA 1.208 62.529 61.300 0.034 0.000 1.451 529 I CB -0.300 37.742 38.000 0.069 0.000 1.089 529 I HN 0.032 nan 8.210 nan 0.000 0.441 530 E N 2.265 122.413 120.200 -0.086 0.000 2.004 530 E HA 0.066 4.419 4.350 0.005 0.000 0.193 530 E C 1.656 178.337 176.600 0.134 0.000 0.985 530 E CA 1.640 57.991 56.400 -0.081 0.000 0.832 530 E CB -0.473 28.901 29.700 -0.544 0.000 0.787 530 E HN 0.601 nan 8.360 nan 0.000 0.466 531 G N 0.077 109.067 108.800 0.316 0.000 3.977 531 G HA2 -0.041 3.922 3.960 0.005 0.000 0.224 531 G HA3 -0.041 3.922 3.960 0.005 0.000 0.224 531 G C -0.403 174.688 174.900 0.318 0.000 0.978 531 G CA -0.406 44.848 45.100 0.258 0.000 1.222 531 G HN 0.095 nan 8.290 nan 0.000 0.696 532 H N -0.539 118.489 119.070 -0.070 0.000 2.542 532 H HA 0.558 5.117 4.556 0.005 0.000 0.283 532 H C 1.615 176.911 175.328 -0.052 0.000 1.059 532 H CA 0.078 56.100 56.048 -0.043 0.000 1.162 532 H CB 0.920 30.665 29.762 -0.028 0.000 1.539 532 H HN 0.258 nan 8.280 nan 0.000 0.543 533 V N -1.331 118.601 119.914 0.030 0.000 3.102 533 V HA 0.389 4.512 4.120 0.005 0.000 0.225 533 V C 0.853 177.014 176.094 0.112 0.000 1.301 533 V CA 0.688 62.991 62.300 0.006 0.000 1.308 533 V CB 0.310 31.959 31.823 -0.290 0.000 1.129 533 V HN 0.661 nan 8.190 nan 0.000 0.502 534 G N 0.648 109.496 108.800 0.079 0.000 2.825 534 G HA2 0.303 4.266 3.960 0.005 0.000 0.684 534 G HA3 0.303 4.266 3.960 0.005 0.000 0.684 534 G C -0.410 174.674 174.900 0.306 0.000 1.528 534 G CA -0.041 45.145 45.100 0.142 0.000 0.963 534 G HN 1.530 nan 8.290 nan 0.000 0.577 535 A N 1.458 124.419 122.820 0.236 0.000 2.422 535 A HA 0.716 5.039 4.320 0.005 0.000 0.302 535 A C -0.469 177.220 177.584 0.175 0.000 1.041 535 A CA -0.467 51.742 52.037 0.286 0.000 0.708 535 A CB 1.426 20.628 19.000 0.337 0.000 1.257 535 A HN 0.744 nan 8.150 nan 0.000 0.414 536 D N 2.163 122.643 120.400 0.133 0.000 2.390 536 D HA 0.236 4.879 4.640 0.005 0.000 0.249 536 D C -0.246 176.122 176.300 0.113 0.000 1.144 536 D CA 0.450 54.504 54.000 0.089 0.000 0.880 536 D CB 0.937 41.762 40.800 0.041 0.000 1.182 536 D HN 0.368 nan 8.370 nan 0.000 0.451 537 E N 1.606 121.871 120.200 0.109 0.000 2.180 537 E HA 0.181 4.534 4.350 0.005 0.000 0.283 537 E C 0.446 177.071 176.600 0.041 0.000 1.061 537 E CA -0.214 56.262 56.400 0.127 0.000 0.861 537 E CB 0.718 30.497 29.700 0.132 0.000 1.056 537 E HN 0.417 nan 8.360 nan 0.000 0.407 538 T N -2.492 112.057 114.554 -0.008 0.000 2.919 538 T HA 0.280 4.633 4.350 0.005 0.000 0.282 538 T C 1.500 176.099 174.700 -0.168 0.000 1.020 538 T CA -0.497 61.539 62.100 -0.107 0.000 0.994 538 T CB 0.788 69.558 68.868 -0.164 0.000 1.180 538 T HN 0.134 nan 8.240 nan 0.000 0.566 539 V N -0.618 119.110 119.914 -0.311 0.000 2.867 539 V HA -0.050 4.073 4.120 0.005 0.000 0.260 539 V C 2.047 177.844 176.094 -0.495 0.000 1.099 539 V CA 1.053 63.123 62.300 -0.383 0.000 1.122 539 V CB -1.496 30.019 31.823 -0.513 0.000 0.708 539 V HN 0.695 nan 8.190 nan 0.000 0.490 540 V N 0.524 120.082 119.914 -0.594 0.000 2.500 540 V HA 0.621 4.744 4.120 0.005 0.000 0.243 540 V C 1.381 177.205 176.094 -0.449 0.000 1.039 540 V CA 1.419 63.386 62.300 -0.555 0.000 1.053 540 V CB -0.562 30.955 31.823 -0.511 0.000 0.695 540 V HN 0.902 nan 8.190 nan 0.000 0.463 541 G N -1.244 107.272 108.800 -0.473 0.000 2.441 541 G HA2 0.115 4.078 3.960 0.005 0.000 0.222 541 G HA3 0.115 4.078 3.960 0.005 0.000 0.222 541 G C -1.404 173.322 174.900 -0.290 0.000 1.254 541 G CA -0.722 43.890 45.100 -0.813 0.000 0.959 541 G HN 0.218 nan 8.290 nan 0.000 0.474 542 H N 1.300 120.382 119.070 0.021 0.000 2.864 542 H HA 0.504 5.063 4.556 0.005 0.000 0.281 542 H C 0.003 175.414 175.328 0.138 0.000 1.093 542 H CA 0.388 56.514 56.048 0.129 0.000 1.453 542 H CB 0.036 29.913 29.762 0.192 0.000 1.462 542 H HN 0.380 nan 8.280 nan 0.000 0.480 543 T N 1.927 116.580 114.554 0.166 0.000 2.907 543 T HA 0.463 4.816 4.350 0.005 0.000 0.284 543 T C 0.684 175.340 174.700 -0.074 0.000 1.004 543 T CA -0.744 61.359 62.100 0.006 0.000 1.063 543 T CB 1.392 70.224 68.868 -0.060 0.000 0.992 543 T HN 0.693 nan 8.240 nan 0.000 0.483 544 A N 3.040 125.520 122.820 -0.566 0.000 2.520 544 A HA 0.343 4.666 4.320 0.005 0.000 0.245 544 A C 0.106 177.488 177.584 -0.336 0.000 1.072 544 A CA -0.155 51.394 52.037 -0.814 0.000 0.761 544 A CB -0.191 17.753 19.000 -1.761 0.000 1.004 544 A HN 0.735 nan 8.150 nan 0.000 0.499 545 K N 2.491 122.823 120.400 -0.112 0.000 2.205 545 K HA 0.490 4.813 4.320 0.005 0.000 0.279 545 K C 1.142 177.702 176.600 -0.067 0.000 1.027 545 K CA 0.353 56.612 56.287 -0.048 0.000 0.932 545 K CB 1.135 33.660 32.500 0.041 0.000 1.032 545 K HN 0.645 nan 8.250 nan 0.000 0.466 546 A N 2.736 125.523 122.820 -0.056 0.000 2.024 546 A HA -0.198 4.125 4.320 0.005 0.000 0.220 546 A C 1.396 178.993 177.584 0.022 0.000 1.164 546 A CA 1.697 53.714 52.037 -0.033 0.000 0.643 546 A CB -0.488 18.511 19.000 -0.002 0.000 0.806 546 A HN 0.861 nan 8.150 nan 0.000 0.451 547 E N -0.633 119.592 120.200 0.043 0.000 2.474 547 E HA -0.006 4.347 4.350 0.005 0.000 0.195 547 E C -0.439 176.224 176.600 0.105 0.000 1.039 547 E CA 0.465 56.906 56.400 0.069 0.000 0.881 547 E CB -0.192 29.543 29.700 0.058 0.000 0.970 547 E HN 0.441 nan 8.360 nan 0.000 0.486 548 D N 0.703 121.187 120.400 0.141 0.000 2.328 548 D HA 0.146 4.789 4.640 0.005 0.000 0.221 548 D C -0.502 175.968 176.300 0.283 0.000 1.072 548 D CA -0.003 54.145 54.000 0.248 0.000 0.850 548 D CB 0.217 41.254 40.800 0.395 0.000 0.922 548 D HN 0.076 nan 8.370 nan 0.000 0.516 549 L N 1.067 122.384 121.223 0.157 0.000 2.289 549 L HA 0.196 4.539 4.340 0.005 0.000 0.285 549 L C 0.421 177.375 176.870 0.139 0.000 1.049 549 L CA -0.616 54.309 54.840 0.142 0.000 0.804 549 L CB 1.327 43.423 42.059 0.061 0.000 1.195 549 L HN -0.135 nan 8.230 nan 0.000 0.428 550 D N 3.725 124.206 120.400 0.135 0.000 2.441 550 D HA -0.004 4.639 4.640 0.005 0.000 0.243 550 D C 0.505 176.863 176.300 0.097 0.000 1.257 550 D CA -0.144 53.918 54.000 0.103 0.000 1.027 550 D CB 0.626 41.473 40.800 0.078 0.000 1.084 550 D HN 0.263 nan 8.370 nan 0.000 0.514 551 L N 2.177 123.457 121.223 0.095 0.000 2.591 551 L HA 0.086 4.429 4.340 0.005 0.000 0.228 551 L C 0.371 177.259 176.870 0.031 0.000 1.133 551 L CA 0.187 55.069 54.840 0.071 0.000 0.880 551 L CB -1.122 40.987 42.059 0.084 0.000 1.033 551 L HN 0.188 nan 8.230 nan 0.000 0.450 552 D N 1.223 121.646 120.400 0.039 0.000 2.658 552 D HA 0.285 4.928 4.640 0.005 0.000 0.230 552 D C 1.543 177.847 176.300 0.007 0.000 1.118 552 D CA 1.436 55.453 54.000 0.028 0.000 0.848 552 D CB 0.487 41.312 40.800 0.042 0.000 1.160 552 D HN 0.348 nan 8.370 nan 0.000 0.497 553 G N 1.830 110.628 108.800 -0.004 0.000 2.217 553 G HA2 -0.263 3.700 3.960 0.005 0.000 0.246 553 G HA3 -0.263 3.700 3.960 0.005 0.000 0.246 553 G C 0.262 175.134 174.900 -0.046 0.000 0.990 553 G CA -0.210 44.878 45.100 -0.020 0.000 0.627 553 G HN 0.515 nan 8.290 nan 0.000 0.522 554 L N 2.348 123.538 121.223 -0.055 0.000 2.260 554 L HA 0.344 4.687 4.340 0.005 0.000 0.289 554 L C 1.126 177.952 176.870 -0.073 0.000 1.057 554 L CA 0.002 54.785 54.840 -0.096 0.000 0.811 554 L CB 0.828 42.808 42.059 -0.132 0.000 1.184 554 L HN 0.328 nan 8.230 nan 0.000 0.429 555 D N 0.813 121.165 120.400 -0.081 0.000 2.390 555 D HA -0.085 4.558 4.640 0.005 0.000 0.235 555 D C 0.555 176.823 176.300 -0.052 0.000 1.040 555 D CA 0.225 54.191 54.000 -0.057 0.000 0.923 555 D CB -0.183 40.584 40.800 -0.055 0.000 0.886 555 D HN 0.187 nan 8.370 nan 0.000 0.532 556 T N 2.476 116.988 114.554 -0.071 0.000 2.733 556 T HA 0.289 4.642 4.350 0.005 0.000 0.294 556 T C -2.499 172.202 174.700 0.001 0.000 0.956 556 T CA -1.808 60.263 62.100 -0.048 0.000 0.987 556 T CB 1.134 69.935 68.868 -0.111 0.000 0.920 556 T HN 0.000 nan 8.240 nan 0.000 0.470 557 P HA 0.081 nan 4.420 nan 0.000 0.261 557 P C 1.057 178.386 177.300 0.048 0.000 1.203 557 P CA -0.035 63.082 63.100 0.029 0.000 0.767 557 P CB 0.255 31.971 31.700 0.026 0.000 0.785 558 I N 1.880 122.479 120.570 0.048 0.000 2.874 558 I HA -0.266 3.907 4.170 0.005 0.000 0.271 558 I C 1.447 177.595 176.117 0.051 0.000 1.263 558 I CA 1.444 62.779 61.300 0.059 0.000 1.443 558 I CB 0.042 38.071 38.000 0.048 0.000 1.100 558 I HN 0.264 nan 8.210 nan 0.000 0.480 559 E N 0.245 120.472 120.200 0.044 0.000 2.463 559 E HA -0.048 4.306 4.350 0.005 0.000 0.193 559 E C 0.941 177.565 176.600 0.041 0.000 1.041 559 E CA 0.350 56.771 56.400 0.035 0.000 0.879 559 E CB 0.146 29.862 29.700 0.027 0.000 0.997 559 E HN 0.496 nan 8.360 nan 0.000 0.478 560 D N -1.700 118.736 120.400 0.059 0.000 2.431 560 D HA 0.016 4.660 4.640 0.005 0.000 0.227 560 D C 1.515 177.871 176.300 0.095 0.000 1.030 560 D CA 0.363 54.408 54.000 0.076 0.000 0.897 560 D CB 0.367 41.223 40.800 0.093 0.000 1.058 560 D HN 0.030 nan 8.370 nan 0.000 0.500 561 V N 0.688 120.669 119.914 0.110 0.000 2.667 561 V HA -0.088 4.035 4.120 0.005 0.000 0.252 561 V C 2.102 178.204 176.094 0.012 0.000 1.065 561 V CA 1.206 63.573 62.300 0.112 0.000 1.083 561 V CB -0.125 31.792 31.823 0.157 0.000 0.692 561 V HN 0.008 nan 8.190 nan 0.000 0.468 562 K N 0.155 120.566 120.400 0.018 0.000 2.242 562 K HA 0.033 4.356 4.320 0.005 0.000 0.200 562 K C 2.002 178.600 176.600 -0.003 0.000 1.050 562 K CA 0.793 57.076 56.287 -0.006 0.000 0.981 562 K CB -0.057 32.445 32.500 0.004 0.000 0.795 562 K HN 0.557 nan 8.250 nan 0.000 0.477 563 E N 0.206 120.415 120.200 0.014 0.000 2.012 563 E HA -0.172 4.181 4.350 0.005 0.000 0.197 563 E C 1.566 178.172 176.600 0.011 0.000 1.007 563 E CA 1.429 57.839 56.400 0.016 0.000 0.816 563 E CB -0.146 29.569 29.700 0.025 0.000 0.762 563 E HN 0.225 nan 8.360 nan 0.000 0.451 564 A N 0.334 123.164 122.820 0.016 0.000 2.194 564 A HA -0.145 4.178 4.320 0.005 0.000 0.220 564 A C 1.768 179.320 177.584 -0.053 0.000 1.162 564 A CA 0.927 52.963 52.037 -0.003 0.000 0.674 564 A CB -0.215 18.797 19.000 0.020 0.000 0.789 564 A HN 0.304 nan 8.150 nan 0.000 0.470 565 L N -0.137 121.048 121.223 -0.063 0.000 2.640 565 L HA 0.107 4.450 4.340 0.005 0.000 0.230 565 L C 1.302 178.145 176.870 -0.045 0.000 1.123 565 L CA 1.093 55.875 54.840 -0.097 0.000 0.900 565 L CB -0.635 41.340 42.059 -0.140 0.000 1.146 565 L HN 0.464 nan 8.230 nan 0.000 0.484 566 T N -1.610 112.940 114.554 -0.007 0.000 2.907 566 T HA 0.531 4.884 4.350 0.005 0.000 0.298 566 T C 0.302 175.048 174.700 0.075 0.000 1.017 566 T CA -0.273 61.840 62.100 0.022 0.000 1.118 566 T CB 1.804 70.689 68.868 0.029 0.000 0.948 566 T HN 0.217 nan 8.240 nan 0.000 0.531 567 A N 3.988 126.863 122.820 0.092 0.000 2.938 567 A HA 0.594 4.917 4.320 0.005 0.000 0.344 567 A C -2.675 175.033 177.584 0.205 0.000 1.142 567 A CA -1.730 50.443 52.037 0.226 0.000 0.841 567 A CB -0.109 18.895 19.000 0.007 0.000 1.083 567 A HN 0.662 nan 8.150 nan 0.000 0.479 568 P HA 0.188 nan 4.420 nan 0.000 0.265 568 P C 1.072 178.526 177.300 0.256 0.000 1.222 568 P CA 0.364 63.567 63.100 0.171 0.000 0.767 568 P CB 1.254 33.022 31.700 0.113 0.000 0.801 569 A N 4.445 127.360 122.820 0.158 0.000 2.019 569 A HA -0.217 4.106 4.320 0.005 0.000 0.219 569 A C 1.997 179.682 177.584 0.167 0.000 1.164 569 A CA 1.791 53.925 52.037 0.162 0.000 0.644 569 A CB -0.814 18.224 19.000 0.064 0.000 0.805 569 A HN 0.629 nan 8.150 nan 0.000 0.449 570 E N -0.070 120.197 120.200 0.111 0.000 2.150 570 E HA -0.225 4.128 4.350 0.005 0.000 0.193 570 E C 1.853 178.491 176.600 0.064 0.000 0.985 570 E CA 1.559 58.002 56.400 0.071 0.000 0.814 570 E CB -0.440 29.285 29.700 0.042 0.000 0.752 570 E HN 0.703 nan 8.360 nan 0.000 0.466 571 Q N -0.780 119.061 119.800 0.068 0.000 2.172 571 Q HA -0.051 4.292 4.340 0.005 0.000 0.200 571 Q C 1.386 177.331 176.000 -0.093 0.000 0.964 571 Q CA 1.253 57.037 55.803 -0.031 0.000 0.855 571 Q CB -0.117 28.582 28.738 -0.065 0.000 0.918 571 Q HN 0.432 nan 8.270 nan 0.000 0.444 572 W N 0.075 121.368 121.300 -0.011 0.000 2.523 572 W HA 0.080 4.744 4.660 0.006 0.000 0.278 572 W C 2.318 178.839 176.519 0.004 0.000 1.236 572 W CA 0.860 58.202 57.345 -0.005 0.000 1.306 572 W CB -0.119 29.333 29.460 -0.013 0.000 1.101 572 W HN 0.090 nan 8.180 nan 0.000 0.577 573 A N 0.427 123.360 122.820 0.189 0.000 1.978 573 A HA -0.232 4.091 4.320 0.005 0.000 0.220 573 A C 1.795 179.418 177.584 0.066 0.000 1.170 573 A CA 2.003 54.105 52.037 0.108 0.000 0.636 573 A CB -0.680 18.366 19.000 0.076 0.000 0.810 573 A HN 0.258 nan 8.150 nan 0.000 0.448 574 N N 0.290 119.006 118.700 0.028 0.000 2.354 574 N HA -0.060 4.683 4.740 0.005 0.000 0.179 574 N C 0.403 175.908 175.510 -0.009 0.000 1.021 574 N CA 1.145 54.194 53.050 -0.002 0.000 0.887 574 N CB -0.190 38.276 38.487 -0.034 0.000 0.974 574 N HN 0.416 nan 8.380 nan 0.000 0.437 575 D N -0.414 119.971 120.400 -0.025 0.000 2.340 575 D HA 0.037 4.680 4.640 0.005 0.000 0.220 575 D C 1.763 178.123 176.300 0.099 0.000 1.039 575 D CA 0.066 54.053 54.000 -0.022 0.000 0.866 575 D CB 0.244 40.963 40.800 -0.135 0.000 0.913 575 D HN -0.000 nan 8.370 nan 0.000 0.523 576 V N 0.921 120.924 119.914 0.148 0.000 2.343 576 V HA -0.237 3.886 4.120 0.005 0.000 0.247 576 V C 2.488 178.748 176.094 0.276 0.000 1.051 576 V CA 1.611 64.073 62.300 0.271 0.000 1.036 576 V CB -0.298 31.640 31.823 0.191 0.000 0.654 576 V HN 0.100 nan 8.190 nan 0.000 0.451 577 E N 0.541 120.832 120.200 0.153 0.000 2.072 577 E HA -0.213 4.140 4.350 0.005 0.000 0.190 577 E C 1.983 178.637 176.600 0.091 0.000 0.982 577 E CA 1.476 57.944 56.400 0.114 0.000 0.803 577 E CB -0.441 29.299 29.700 0.067 0.000 0.755 577 E HN 0.619 nan 8.360 nan 0.000 0.453 578 D N -0.267 120.184 120.400 0.085 0.000 2.103 578 D HA -0.132 4.511 4.640 0.005 0.000 0.199 578 D C 1.403 177.761 176.300 0.097 0.000 0.978 578 D CA 0.933 54.981 54.000 0.081 0.000 0.829 578 D CB -0.191 40.647 40.800 0.063 0.000 0.981 578 D HN 0.089 nan 8.370 nan 0.000 0.464 579 N N 0.643 119.407 118.700 0.107 0.000 2.188 579 N HA -0.087 4.656 4.740 0.005 0.000 0.184 579 N C 1.775 177.120 175.510 -0.276 0.000 1.018 579 N CA 1.346 54.401 53.050 0.008 0.000 0.858 579 N CB -0.490 38.083 38.487 0.143 0.000 0.989 579 N HN 0.254 nan 8.380 nan 0.000 0.426 580 A N 1.486 124.178 122.820 -0.212 0.000 1.969 580 A HA -0.125 4.198 4.320 0.005 0.000 0.218 580 A C 1.982 179.497 177.584 -0.116 0.000 1.169 580 A CA 1.191 53.071 52.037 -0.262 0.000 0.635 580 A CB -0.345 18.719 19.000 0.107 0.000 0.810 580 A HN 0.380 nan 8.150 nan 0.000 0.445 581 E N -1.648 118.527 120.200 -0.041 0.000 2.150 581 E HA -0.193 4.160 4.350 0.005 0.000 0.193 581 E C 1.807 178.374 176.600 -0.055 0.000 0.985 581 E CA 1.170 57.554 56.400 -0.027 0.000 0.814 581 E CB -0.336 29.363 29.700 -0.001 0.000 0.752 581 E HN 0.744 nan 8.360 nan 0.000 0.466 582 Y N 1.758 121.919 120.300 -0.232 0.000 2.128 582 Y HA -0.187 4.366 4.550 0.005 0.000 0.284 582 Y C 2.051 177.851 175.900 -0.165 0.000 1.154 582 Y CA 1.358 59.266 58.100 -0.320 0.000 1.149 582 Y CB -0.172 37.844 38.460 -0.741 0.000 0.976 582 Y HN -0.054 nan 8.280 nan 0.000 0.505 583 L N -1.317 119.771 121.223 -0.225 0.000 2.201 583 L HA -0.206 4.137 4.340 0.005 0.000 0.212 583 L C 2.174 178.974 176.870 -0.117 0.000 1.105 583 L CA 1.539 56.248 54.840 -0.219 0.000 0.775 583 L CB -0.845 41.066 42.059 -0.248 0.000 0.913 583 L HN 0.215 nan 8.230 nan 0.000 0.440 584 T N -0.054 114.452 114.554 -0.081 0.000 2.708 584 T HA -0.237 4.116 4.350 0.005 0.000 0.266 584 T C 1.627 176.276 174.700 -0.085 0.000 1.037 584 T CA 1.410 63.483 62.100 -0.046 0.000 1.146 584 T CB -0.455 68.396 68.868 -0.029 0.000 0.865 584 T HN 0.263 nan 8.240 nan 0.000 0.435 585 F N 1.935 121.713 119.950 -0.287 0.000 2.085 585 F HA -0.205 4.325 4.527 0.005 0.000 0.299 585 F C 1.873 177.462 175.800 -0.351 0.000 1.096 585 F CA 1.364 59.156 58.000 -0.346 0.000 1.227 585 F CB -0.400 38.283 39.000 -0.530 0.000 0.983 585 F HN 0.052 nan 8.300 nan 0.000 0.482 586 L N 0.178 121.109 121.223 -0.487 0.000 2.349 586 L HA 0.025 4.368 4.340 0.005 0.000 0.220 586 L C 1.309 177.972 176.870 -0.344 0.000 1.130 586 L CA 0.636 55.185 54.840 -0.484 0.000 0.791 586 L CB -1.642 40.207 42.059 -0.349 0.000 0.918 586 L HN 0.585 nan 8.230 nan 0.000 0.444 587 G N -0.375 108.270 108.800 -0.258 0.000 2.631 587 G HA2 -0.165 3.798 3.960 0.005 0.000 0.504 587 G HA3 -0.165 3.798 3.960 0.005 0.000 0.504 587 G C -2.298 172.550 174.900 -0.087 0.000 1.306 587 G CA -0.280 44.708 45.100 -0.186 0.000 0.897 587 G HN -0.015 nan 8.290 nan 0.000 0.520 588 P HA 0.088 nan 4.420 nan 0.000 0.242 588 P C 1.089 178.391 177.300 0.003 0.000 1.197 588 P CA 0.654 63.742 63.100 -0.022 0.000 0.765 588 P CB 0.072 31.750 31.700 -0.036 0.000 0.936 589 R N -0.961 119.531 120.500 -0.013 0.000 2.365 589 R HA 0.183 4.526 4.340 0.005 0.000 0.223 589 R C 0.219 176.523 176.300 0.008 0.000 0.899 589 R CA -0.215 55.888 56.100 0.005 0.000 1.059 589 R CB 0.471 30.774 30.300 0.004 0.000 1.086 589 R HN -0.003 nan 8.270 nan 0.000 0.522 590 V N 5.034 124.937 119.914 -0.019 0.000 2.509 590 V HA -0.005 4.118 4.120 0.005 0.000 0.297 590 V C -1.869 174.191 176.094 -0.057 0.000 1.014 590 V CA -0.840 61.408 62.300 -0.087 0.000 1.127 590 V CB 0.259 31.965 31.823 -0.195 0.000 0.925 590 V HN 0.057 nan 8.190 nan 0.000 0.480 591 P HA 0.040 nan 4.420 nan 0.000 0.268 591 P C 0.631 177.956 177.300 0.041 0.000 1.208 591 P CA 0.203 63.310 63.100 0.013 0.000 0.777 591 P CB 0.672 32.392 31.700 0.033 0.000 0.875 592 A N 2.770 125.664 122.820 0.125 0.000 1.917 592 A HA -0.252 4.071 4.320 0.005 0.000 0.219 592 A C 1.949 179.622 177.584 0.147 0.000 1.182 592 A CA 1.943 54.086 52.037 0.177 0.000 0.633 592 A CB -1.201 17.870 19.000 0.120 0.000 0.819 592 A HN 0.565 nan 8.150 nan 0.000 0.448 593 E N -0.458 119.802 120.200 0.100 0.000 2.110 593 E HA -0.105 4.248 4.350 0.005 0.000 0.193 593 E C 1.901 178.552 176.600 0.085 0.000 0.988 593 E CA 1.179 57.639 56.400 0.099 0.000 0.804 593 E CB -0.388 29.373 29.700 0.103 0.000 0.745 593 E HN 0.363 nan 8.360 nan 0.000 0.458 594 V N 1.003 120.925 119.914 0.015 0.000 2.343 594 V HA -0.257 3.866 4.120 0.005 0.000 0.247 594 V C 2.007 178.109 176.094 0.013 0.000 1.051 594 V CA 1.815 64.087 62.300 -0.047 0.000 1.036 594 V CB -0.527 31.184 31.823 -0.188 0.000 0.654 594 V HN 0.401 nan 8.190 nan 0.000 0.451 595 H N -0.302 118.828 119.070 0.100 0.000 2.389 595 H HA -0.048 4.511 4.556 0.005 0.000 0.299 595 H C 2.608 178.036 175.328 0.167 0.000 1.081 595 H CA 1.615 57.745 56.048 0.136 0.000 1.345 595 H CB -0.235 29.578 29.762 0.086 0.000 1.393 595 H HN 0.396 nan 8.280 nan 0.000 0.520 596 S N 0.864 116.704 115.700 0.233 0.000 2.356 596 S HA -0.147 4.326 4.470 0.005 0.000 0.223 596 S C 2.161 176.841 174.600 0.134 0.000 1.032 596 S CA 0.947 59.237 58.200 0.151 0.000 1.005 596 S CB -0.014 63.254 63.200 0.112 0.000 0.867 596 S HN 0.415 nan 8.310 nan 0.000 0.449 597 Q N 0.126 120.018 119.800 0.154 0.000 2.084 597 Q HA -0.045 4.298 4.340 0.005 0.000 0.202 597 Q C 1.904 178.006 176.000 0.170 0.000 0.978 597 Q CA 1.226 57.119 55.803 0.150 0.000 0.844 597 Q CB -0.572 28.274 28.738 0.181 0.000 0.898 597 Q HN 0.620 nan 8.270 nan 0.000 0.426 598 F N 2.124 122.121 119.950 0.079 0.000 2.134 598 F HA -0.234 4.297 4.527 0.005 0.000 0.299 598 F C 1.636 177.483 175.800 0.078 0.000 1.097 598 F CA 1.430 59.482 58.000 0.086 0.000 1.264 598 F CB 0.095 39.154 39.000 0.099 0.000 1.001 598 F HN 0.070 nan 8.300 nan 0.000 0.479 599 D N 0.695 121.118 120.400 0.038 0.000 2.116 599 D HA -0.251 4.392 4.640 0.005 0.000 0.193 599 D C 2.372 178.599 176.300 -0.122 0.000 0.998 599 D CA 1.625 55.589 54.000 -0.059 0.000 0.836 599 D CB -0.884 39.937 40.800 0.035 0.000 0.951 599 D HN 0.401 nan 8.370 nan 0.000 0.449 600 A N 0.778 123.558 122.820 -0.066 0.000 1.908 600 A HA -0.170 4.153 4.320 0.005 0.000 0.218 600 A C 2.213 179.727 177.584 -0.116 0.000 1.181 600 A CA 1.348 53.340 52.037 -0.075 0.000 0.627 600 A CB -0.776 18.198 19.000 -0.044 0.000 0.818 600 A HN 0.269 nan 8.150 nan 0.000 0.445 601 L N -0.501 120.633 121.223 -0.149 0.000 2.046 601 L HA -0.111 4.232 4.340 0.005 0.000 0.208 601 L C 2.179 178.914 176.870 -0.224 0.000 1.077 601 L CA 2.358 57.093 54.840 -0.175 0.000 0.747 601 L CB -0.469 41.515 42.059 -0.126 0.000 0.896 601 L HN 0.334 nan 8.230 nan 0.000 0.432 602 K N -0.581 119.609 120.400 -0.350 0.000 2.026 602 K HA -0.095 4.228 4.320 0.005 0.000 0.208 602 K C 2.147 178.656 176.600 -0.152 0.000 1.048 602 K CA 1.323 57.433 56.287 -0.295 0.000 0.929 602 K CB -0.430 31.840 32.500 -0.383 0.000 0.713 602 K HN 0.487 nan 8.250 nan 0.000 0.439 603 A N 1.645 124.388 122.820 -0.129 0.000 1.927 603 A HA -0.253 4.071 4.320 0.005 0.000 0.220 603 A C 1.997 179.534 177.584 -0.079 0.000 1.185 603 A CA 1.760 53.746 52.037 -0.085 0.000 0.639 603 A CB -0.503 18.452 19.000 -0.074 0.000 0.820 603 A HN 0.276 nan 8.150 nan 0.000 0.451 604 R N -0.840 119.603 120.500 -0.094 0.000 2.115 604 R HA 0.090 4.433 4.340 0.005 0.000 0.226 604 R C 1.974 178.223 176.300 -0.085 0.000 1.100 604 R CA 1.233 57.279 56.100 -0.089 0.000 0.980 604 R CB -0.430 29.808 30.300 -0.103 0.000 0.875 604 R HN 0.572 nan 8.270 nan 0.000 0.445 605 I N 1.170 121.692 120.570 -0.080 0.000 2.226 605 I HA -0.211 3.962 4.170 0.005 0.000 0.245 605 I C 1.535 177.643 176.117 -0.015 0.000 1.100 605 I CA 0.831 62.113 61.300 -0.031 0.000 1.374 605 I CB -0.359 37.656 38.000 0.025 0.000 1.057 605 I HN 0.157 nan 8.210 nan 0.000 0.413 606 S N 0.000 115.684 115.700 -0.027 0.000 2.498 606 S HA 0.000 4.473 4.470 0.005 0.000 0.327 606 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 606 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 606 S HN 0.000 nan 8.310 nan 0.000 0.517