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 3iko_1_C DATA FIRST_RESID 7 DATA SEQUENCE YQTERFTKFS DTLKEFKIEQ XXXXXXXDPF NIIREFRSAA GQLALDLANS DATA SEQUENCE GDESNVISSK DWELEARFWH LVELLLVFRN ADLDLDEMEL HPYNSRGLFE DATA SEQUENCE KKLMQDNKQL YQIWIVMVWL KENTYVMERP KNVPTSKWLN SITSGGLKSC DATA SEQUENCE DLDFPLRENT NVLDVKDKEE DHIFFKYIYE LILAGAIDEA LEEAKLSDNI DATA SEQUENCE SICMILCGIQ EYLNPVIDTQ IANEFNTQQG IKKHSLWRRT VYSLSQQAGL DATA SEQUENCE DPYERAIYSY LSGAIPNQEV LQYSDWESDL HIHLNQILQT EIENYLLENN DATA SEQUENCE QVGTDELILP LPSHALTVQE VLNRVASRHP SESEHPIRVL MASVILDSLP DATA SEQUENCE SVIHSSVEML LXXXXXXXXX XDIIDKPYLL RIVTHLAICL DIINPGSVEE DATA SEQUENCE VDKSKLITTY ISLLKLQGLY ENIPIYATFL NESDCL 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.926 175.900 0.044 0.000 1.272 7 Y CA 0.000 58.120 58.100 0.034 0.000 1.940 7 Y CB 0.000 38.476 38.460 0.027 0.000 1.050 8 Q N 1.583 120.915 119.800 -0.780 0.000 2.096 8 Q HA -0.163 4.177 4.340 -0.000 0.000 0.208 8 Q C 1.112 177.006 176.000 -0.176 0.000 0.993 8 Q CA 3.019 58.444 55.803 -0.630 0.000 0.862 8 Q CB -0.243 28.256 28.738 -0.400 0.000 0.915 8 Q HN 0.593 nan 8.270 nan 0.000 0.416 9 T N 0.897 115.433 114.554 -0.030 0.000 3.154 9 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 9 T C 0.998 175.824 174.700 0.210 0.000 1.193 9 T CA 1.156 63.336 62.100 0.133 0.000 1.056 9 T CB -0.211 68.709 68.868 0.087 0.000 0.848 9 T HN 0.335 nan 8.240 nan 0.000 0.584 10 E N 1.883 122.187 120.200 0.173 0.000 2.016 10 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 10 E C 2.127 178.921 176.600 0.324 0.000 0.985 10 E CA 1.172 57.715 56.400 0.239 0.000 0.802 10 E CB -0.176 29.701 29.700 0.295 0.000 0.762 10 E HN 0.576 nan 8.360 nan 0.000 0.448 11 R N -0.169 120.471 120.500 0.233 0.000 2.397 11 R HA -0.366 3.974 4.340 -0.000 0.000 0.194 11 R C 1.935 178.420 176.300 0.309 0.000 0.941 11 R CA 2.756 58.965 56.100 0.182 0.000 0.434 11 R CB -2.302 27.970 30.300 -0.046 0.000 0.737 11 R HN 0.291 nan 8.270 nan 0.000 0.272 12 F N 1.904 121.932 119.950 0.131 0.000 2.304 12 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 12 F C 2.735 178.728 175.800 0.321 0.000 1.052 12 F CA 1.767 59.890 58.000 0.205 0.000 1.389 12 F CB -0.960 38.135 39.000 0.159 0.000 1.081 12 F HN 0.272 nan 8.300 nan 0.000 0.538 13 T N 0.455 115.288 114.554 0.466 0.000 2.614 13 T HA -0.190 4.160 4.350 -0.000 0.000 0.263 13 T C 2.015 176.933 174.700 0.365 0.000 1.055 13 T CA 1.611 63.923 62.100 0.353 0.000 1.162 13 T CB -0.205 68.823 68.868 0.268 0.000 0.863 13 T HN 0.252 nan 8.240 nan 0.000 0.414 14 K N 0.621 121.237 120.400 0.359 0.000 2.015 14 K HA -0.148 4.172 4.320 -0.000 0.000 0.216 14 K C 2.077 178.871 176.600 0.324 0.000 1.052 14 K CA 1.657 58.114 56.287 0.284 0.000 0.937 14 K CB -0.713 31.924 32.500 0.228 0.000 0.719 14 K HN 0.252 nan 8.250 nan 0.000 0.446 15 F N 1.912 121.984 119.950 0.204 0.000 2.046 15 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 15 F C 3.095 179.146 175.800 0.417 0.000 1.123 15 F CA 1.765 59.929 58.000 0.274 0.000 1.199 15 F CB -1.303 37.688 39.000 -0.015 0.000 0.972 15 F HN 0.151 nan 8.300 nan 0.000 0.474 16 S N -0.782 115.336 115.700 0.698 0.000 2.402 16 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 16 S C 1.972 176.771 174.600 0.332 0.000 1.021 16 S CA 1.294 59.825 58.200 0.553 0.000 0.974 16 S CB -0.701 62.956 63.200 0.761 0.000 0.800 16 S HN 0.393 nan 8.310 nan 0.000 0.484 17 D N 1.864 122.446 120.400 0.303 0.000 2.116 17 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 17 D C 1.876 178.251 176.300 0.126 0.000 0.998 17 D CA 2.044 56.160 54.000 0.193 0.000 0.836 17 D CB -0.492 40.410 40.800 0.171 0.000 0.951 17 D HN 0.565 nan 8.370 nan 0.000 0.449 18 T N 1.624 116.235 114.554 0.096 0.000 2.569 18 T HA -0.169 4.181 4.350 -0.000 0.000 0.263 18 T C 2.318 177.036 174.700 0.030 0.000 1.074 18 T CA 1.102 63.200 62.100 -0.003 0.000 1.176 18 T CB -0.809 67.967 68.868 -0.154 0.000 0.863 18 T HN 0.161 nan 8.240 nan 0.000 0.410 19 L N 0.948 122.196 121.223 0.042 0.000 2.119 19 L HA -0.357 3.983 4.340 -0.000 0.000 0.226 19 L C 2.683 179.629 176.870 0.127 0.000 1.093 19 L CA 1.883 56.764 54.840 0.069 0.000 0.806 19 L CB -0.769 41.320 42.059 0.049 0.000 0.902 19 L HN 0.351 nan 8.230 nan 0.000 0.444 20 K N 0.009 120.476 120.400 0.112 0.000 1.973 20 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 20 K C 1.834 178.484 176.600 0.083 0.000 1.047 20 K CA 1.803 58.148 56.287 0.096 0.000 0.937 20 K CB -0.388 32.169 32.500 0.095 0.000 0.721 20 K HN 0.401 nan 8.250 nan 0.000 0.440 21 E N 0.146 120.391 120.200 0.075 0.000 2.339 21 E HA -0.230 4.120 4.350 -0.000 0.000 0.201 21 E C 1.652 178.296 176.600 0.073 0.000 1.015 21 E CA 0.993 57.426 56.400 0.054 0.000 0.841 21 E CB -0.234 29.491 29.700 0.042 0.000 0.754 21 E HN 0.253 nan 8.360 nan 0.000 0.508 22 F N 1.735 121.654 119.950 -0.053 0.000 2.085 22 F HA 0.004 4.531 4.527 -0.000 0.000 0.284 22 F C 2.012 177.778 175.800 -0.057 0.000 1.127 22 F CA 1.066 59.026 58.000 -0.065 0.000 1.164 22 F CB -0.100 38.851 39.000 -0.081 0.000 1.035 22 F HN -0.336 nan 8.300 nan 0.000 0.481 23 K N 0.730 121.066 120.400 -0.108 0.000 2.585 23 K HA -0.070 4.250 4.320 -0.000 0.000 0.194 23 K C 0.960 177.460 176.600 -0.167 0.000 1.037 23 K CA 0.536 56.694 56.287 -0.215 0.000 0.964 23 K CB -0.298 32.171 32.500 -0.052 0.000 0.787 23 K HN 0.319 nan 8.250 nan 0.000 0.488 24 I N -0.114 120.380 120.570 -0.127 0.000 4.018 24 I HA 0.028 4.198 4.170 -0.000 0.000 0.337 24 I C 1.420 177.476 176.117 -0.102 0.000 1.327 24 I CA 0.479 61.728 61.300 -0.085 0.000 1.100 24 I CB 0.235 38.218 38.000 -0.030 0.000 1.025 24 I HN 0.196 nan 8.210 nan 0.000 0.396 25 E N 0.903 121.007 120.200 -0.160 0.000 2.490 25 E HA -0.005 4.345 4.350 -0.000 0.000 0.209 25 E C 0.595 177.103 176.600 -0.152 0.000 0.971 25 E CA -0.089 56.231 56.400 -0.134 0.000 0.988 25 E CB 0.549 30.179 29.700 -0.116 0.000 1.029 25 E HN 0.404 nan 8.360 nan 0.000 0.496 35 P HA -0.038 nan 4.420 nan 0.000 0.218 35 P C 0.982 178.075 177.300 -0.345 0.000 1.146 35 P CA 1.069 63.974 63.100 -0.325 0.000 0.813 35 P CB -0.142 31.292 31.700 -0.445 0.000 0.778 36 F N -1.030 118.880 119.950 -0.066 0.000 2.664 36 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 36 F C 1.941 177.682 175.800 -0.098 0.000 1.164 36 F CA 0.312 58.273 58.000 -0.066 0.000 1.472 36 F CB -0.545 38.447 39.000 -0.014 0.000 1.108 36 F HN 0.037 nan 8.300 nan 0.000 0.596 37 N N 0.447 119.152 118.700 0.008 0.000 2.376 37 N HA -0.013 4.727 4.740 -0.000 0.000 0.177 37 N C 1.949 177.327 175.510 -0.221 0.000 1.024 37 N CA 0.704 53.720 53.050 -0.057 0.000 0.893 37 N CB 0.081 38.552 38.487 -0.027 0.000 0.980 37 N HN 0.319 nan 8.380 nan 0.000 0.439 38 I N 1.987 122.327 120.570 -0.384 0.000 2.069 38 I HA -0.302 3.868 4.170 -0.000 0.000 0.237 38 I C 2.207 177.794 176.117 -0.883 0.000 1.053 38 I CA 1.313 62.155 61.300 -0.764 0.000 1.311 38 I CB -0.509 36.934 38.000 -0.928 0.000 1.030 38 I HN 0.017 nan 8.210 nan 0.000 0.398 39 I N 0.252 120.532 120.570 -0.484 0.000 2.151 39 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 39 I C 2.800 178.872 176.117 -0.076 0.000 1.080 39 I CA 1.541 62.756 61.300 -0.142 0.000 1.339 39 I CB -0.735 37.355 38.000 0.150 0.000 1.039 39 I HN 0.212 nan 8.210 nan 0.000 0.409 40 R N 1.131 121.595 120.500 -0.060 0.000 2.094 40 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 40 R C 2.320 178.572 176.300 -0.080 0.000 1.137 40 R CA 1.931 58.018 56.100 -0.022 0.000 0.943 40 R CB -0.128 30.165 30.300 -0.011 0.000 0.850 40 R HN 0.424 nan 8.270 nan 0.000 0.433 41 E N -0.563 119.530 120.200 -0.177 0.000 2.072 41 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 41 E C 1.959 178.427 176.600 -0.219 0.000 0.985 41 E CA 1.121 57.407 56.400 -0.190 0.000 0.801 41 E CB -0.193 29.369 29.700 -0.228 0.000 0.750 41 E HN 0.396 nan 8.360 nan 0.000 0.452 42 F N 1.180 120.821 119.950 -0.516 0.000 2.085 42 F HA -0.340 4.187 4.527 -0.000 0.000 0.299 42 F C 2.849 178.249 175.800 -0.666 0.000 1.096 42 F CA 1.011 58.453 58.000 -0.930 0.000 1.227 42 F CB -0.133 37.984 39.000 -1.471 0.000 0.983 42 F HN 0.043 nan 8.300 nan 0.000 0.482 43 R N 0.212 120.660 120.500 -0.087 0.000 2.096 43 R HA -0.215 4.125 4.340 -0.000 0.000 0.229 43 R C 2.513 178.865 176.300 0.087 0.000 1.134 43 R CA 1.871 58.081 56.100 0.183 0.000 0.917 43 R CB -0.960 29.457 30.300 0.196 0.000 0.832 43 R HN 0.112 nan 8.270 nan 0.000 0.430 44 S N -0.233 115.469 115.700 0.004 0.000 2.389 44 S HA -0.281 4.189 4.470 -0.000 0.000 0.231 44 S C 1.883 176.466 174.600 -0.028 0.000 1.052 44 S CA 1.681 59.871 58.200 -0.017 0.000 1.053 44 S CB -0.406 62.767 63.200 -0.044 0.000 0.886 44 S HN 0.576 nan 8.310 nan 0.000 0.456 45 A N 1.483 124.245 122.820 -0.097 0.000 1.834 45 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 45 A C 2.520 180.080 177.584 -0.040 0.000 1.203 45 A CA 2.179 54.134 52.037 -0.136 0.000 0.621 45 A CB -1.641 17.118 19.000 -0.401 0.000 0.841 45 A HN 0.876 nan 8.150 nan 0.000 0.446 46 A N -0.795 122.073 122.820 0.080 0.000 2.032 46 A HA 0.068 4.388 4.320 -0.000 0.000 0.221 46 A C 2.320 180.041 177.584 0.227 0.000 1.165 46 A CA 2.081 54.330 52.037 0.354 0.000 0.645 46 A CB -1.318 18.132 19.000 0.751 0.000 0.807 46 A HN 0.816 nan 8.150 nan 0.000 0.453 47 G N -1.070 107.821 108.800 0.151 0.000 2.402 47 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 47 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 47 G C 1.579 176.504 174.900 0.042 0.000 1.162 47 G CA 1.152 46.317 45.100 0.108 0.000 0.777 47 G HN 0.553 nan 8.290 nan 0.000 0.539 48 Q N 0.252 120.054 119.800 0.003 0.000 2.124 48 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 48 Q C 2.455 178.416 176.000 -0.066 0.000 0.977 48 Q CA 1.154 56.946 55.803 -0.020 0.000 0.850 48 Q CB -0.405 28.322 28.738 -0.018 0.000 0.901 48 Q HN 0.523 nan 8.270 nan 0.000 0.429 49 L N -0.486 120.639 121.223 -0.163 0.000 2.027 49 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 49 L C 2.378 179.092 176.870 -0.260 0.000 1.074 49 L CA 0.965 55.580 54.840 -0.375 0.000 0.745 49 L CB -0.865 40.633 42.059 -0.935 0.000 0.898 49 L HN 0.279 nan 8.230 nan 0.000 0.433 50 A N -0.004 122.774 122.820 -0.069 0.000 2.076 50 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 50 A C 2.242 179.852 177.584 0.044 0.000 1.160 50 A CA 1.434 53.529 52.037 0.097 0.000 0.653 50 A CB -0.581 18.531 19.000 0.187 0.000 0.801 50 A HN 0.386 nan 8.150 nan 0.000 0.455 51 L N -0.976 120.250 121.223 0.005 0.000 2.084 51 L HA -0.083 4.257 4.340 -0.000 0.000 0.202 51 L C 2.150 179.021 176.870 0.002 0.000 1.074 51 L CA 1.039 55.886 54.840 0.011 0.000 0.757 51 L CB -0.650 41.416 42.059 0.010 0.000 0.918 51 L HN 0.236 nan 8.230 nan 0.000 0.444 52 D N 0.733 121.119 120.400 -0.023 0.000 2.137 52 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 52 D C 2.260 178.549 176.300 -0.019 0.000 0.993 52 D CA 1.366 55.353 54.000 -0.021 0.000 0.846 52 D CB -0.657 40.106 40.800 -0.062 0.000 0.990 52 D HN 0.131 nan 8.370 nan 0.000 0.448 53 L N 0.383 121.581 121.223 -0.041 0.000 2.283 53 L HA -0.260 4.080 4.340 -0.000 0.000 0.217 53 L C 2.280 179.171 176.870 0.034 0.000 1.104 53 L CA 1.220 56.064 54.840 0.007 0.000 0.772 53 L CB -0.276 41.817 42.059 0.056 0.000 0.899 53 L HN 0.040 nan 8.230 nan 0.000 0.439 54 A N -0.808 122.031 122.820 0.032 0.000 1.859 54 A HA -0.105 4.215 4.320 -0.000 0.000 0.212 54 A C 1.961 179.561 177.584 0.026 0.000 1.238 54 A CA 0.848 52.907 52.037 0.036 0.000 0.613 54 A CB -0.516 18.508 19.000 0.040 0.000 0.904 54 A HN 0.336 nan 8.150 nan 0.000 0.457 55 N N 0.837 119.551 118.700 0.023 0.000 2.049 55 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 55 N C 0.615 176.137 175.510 0.021 0.000 1.009 55 N CA 1.987 55.050 53.050 0.022 0.000 0.895 55 N CB -0.553 37.948 38.487 0.023 0.000 1.056 55 N HN 0.568 nan 8.380 nan 0.000 0.677 56 S N -1.483 114.229 115.700 0.021 0.000 2.500 56 S HA 0.818 5.288 4.470 -0.000 0.000 0.301 56 S C 0.035 174.647 174.600 0.020 0.000 1.092 56 S CA -0.160 58.052 58.200 0.020 0.000 1.030 56 S CB 2.412 65.625 63.200 0.021 0.000 1.031 56 S HN 0.761 nan 8.310 nan 0.000 0.483 57 G N 0.922 109.733 108.800 0.019 0.000 2.313 57 G HA2 0.370 4.330 3.960 -0.000 0.000 0.296 57 G HA3 0.370 4.330 3.960 -0.000 0.000 0.296 57 G C -1.955 172.957 174.900 0.020 0.000 1.356 57 G CA -0.972 44.139 45.100 0.019 0.000 0.833 57 G HN 0.707 nan 8.290 nan 0.000 0.552 58 D N -0.152 120.260 120.400 0.020 0.000 2.472 58 D HA 0.221 4.861 4.640 -0.000 0.000 0.237 58 D C 1.375 177.688 176.300 0.022 0.000 1.141 58 D CA 0.352 54.364 54.000 0.019 0.000 0.875 58 D CB 0.806 41.617 40.800 0.020 0.000 1.192 58 D HN 0.397 nan 8.370 nan 0.000 0.450 59 E N 0.555 120.766 120.200 0.018 0.000 2.482 59 E HA -0.073 4.277 4.350 -0.000 0.000 0.200 59 E C 0.902 177.515 176.600 0.021 0.000 1.147 59 E CA 0.135 56.546 56.400 0.018 0.000 0.912 59 E CB -0.020 29.689 29.700 0.014 0.000 0.938 59 E HN 0.388 nan 8.360 nan 0.000 0.519 60 S N -1.343 114.372 115.700 0.025 0.000 2.506 60 S HA 0.048 4.518 4.470 -0.000 0.000 0.219 60 S C 1.376 176.000 174.600 0.041 0.000 1.031 60 S CA -0.170 58.047 58.200 0.028 0.000 0.911 60 S CB 0.069 63.283 63.200 0.024 0.000 0.812 60 S HN 0.182 nan 8.310 nan 0.000 0.497 61 N N 1.758 120.485 118.700 0.045 0.000 2.300 61 N HA 0.039 4.779 4.740 -0.000 0.000 0.179 61 N C 1.436 176.988 175.510 0.070 0.000 1.016 61 N CA 0.943 54.031 53.050 0.064 0.000 0.876 61 N CB -0.293 38.226 38.487 0.053 0.000 0.979 61 N HN 0.154 nan 8.380 nan 0.000 0.432 62 V N 1.744 121.688 119.914 0.049 0.000 2.317 62 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 62 V C 2.086 178.210 176.094 0.051 0.000 1.065 62 V CA 1.332 63.658 62.300 0.043 0.000 1.049 62 V CB -0.519 31.320 31.823 0.026 0.000 0.651 62 V HN 0.343 nan 8.190 nan 0.000 0.450 63 I N 1.285 121.885 120.570 0.049 0.000 2.133 63 I HA -0.163 4.007 4.170 -0.000 0.000 0.238 63 I C 2.712 178.869 176.117 0.066 0.000 1.074 63 I CA 2.217 63.546 61.300 0.048 0.000 1.342 63 I CB -1.587 36.437 38.000 0.040 0.000 1.053 63 I HN 0.562 nan 8.210 nan 0.000 0.404 64 S N -0.245 115.509 115.700 0.091 0.000 2.500 64 S HA -0.127 4.343 4.470 -0.000 0.000 0.239 64 S C 2.096 176.832 174.600 0.226 0.000 0.989 64 S CA 1.249 59.526 58.200 0.129 0.000 0.951 64 S CB -0.464 62.838 63.200 0.171 0.000 0.759 64 S HN 0.435 nan 8.310 nan 0.000 0.523 65 S N 2.385 118.201 115.700 0.193 0.000 2.336 65 S HA -0.051 4.419 4.470 -0.000 0.000 0.216 65 S C 1.828 176.538 174.600 0.183 0.000 1.032 65 S CA 1.060 59.398 58.200 0.229 0.000 0.973 65 S CB -0.417 62.861 63.200 0.129 0.000 0.888 65 S HN 0.641 nan 8.310 nan 0.000 0.455 66 K N 1.046 121.497 120.400 0.085 0.000 2.113 66 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 66 K C 1.664 178.252 176.600 -0.019 0.000 1.047 66 K CA 1.632 57.937 56.287 0.031 0.000 0.928 66 K CB -0.302 32.197 32.500 -0.002 0.000 0.716 66 K HN 0.436 nan 8.250 nan 0.000 0.446 67 D N -0.564 119.797 120.400 -0.065 0.000 2.350 67 D HA -0.129 4.511 4.640 -0.000 0.000 0.216 67 D C 1.356 177.434 176.300 -0.370 0.000 0.968 67 D CA 0.907 54.741 54.000 -0.277 0.000 0.894 67 D CB 0.020 40.602 40.800 -0.363 0.000 0.909 67 D HN 0.374 nan 8.370 nan 0.000 0.520 68 W N 1.333 122.605 121.300 -0.047 0.000 2.574 68 W HA 0.038 4.698 4.660 -0.000 0.000 0.282 68 W C 2.439 178.978 176.519 0.034 0.000 1.197 68 W CA -0.037 57.315 57.345 0.012 0.000 1.376 68 W CB 0.175 29.663 29.460 0.048 0.000 1.091 68 W HN -0.095 nan 8.180 nan 0.000 0.569 69 E N 0.752 121.091 120.200 0.232 0.000 2.038 69 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 69 E C 2.063 178.728 176.600 0.109 0.000 1.000 69 E CA 1.557 58.050 56.400 0.156 0.000 0.803 69 E CB -0.811 28.944 29.700 0.091 0.000 0.750 69 E HN 0.238 nan 8.360 nan 0.000 0.448 70 L N 1.278 122.504 121.223 0.005 0.000 2.051 70 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 70 L C 2.662 179.528 176.870 -0.006 0.000 1.076 70 L CA 1.272 56.078 54.840 -0.057 0.000 0.758 70 L CB -0.305 41.603 42.059 -0.251 0.000 0.890 70 L HN 0.220 nan 8.230 nan 0.000 0.433 71 E N -0.366 119.812 120.200 -0.037 0.000 2.023 71 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 71 E C 2.176 178.896 176.600 0.199 0.000 1.003 71 E CA 1.440 57.836 56.400 -0.006 0.000 0.809 71 E CB -0.135 29.618 29.700 0.088 0.000 0.755 71 E HN 0.532 nan 8.360 nan 0.000 0.449 72 A N 1.660 124.682 122.820 0.336 0.000 1.869 72 A HA -0.289 4.030 4.320 -0.000 0.000 0.218 72 A C 2.140 179.939 177.584 0.358 0.000 1.203 72 A CA 2.189 54.463 52.037 0.395 0.000 0.638 72 A CB -0.760 18.412 19.000 0.288 0.000 0.831 72 A HN 0.200 nan 8.150 nan 0.000 0.450 73 R N -2.008 118.681 120.500 0.315 0.000 2.096 73 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 73 R C 2.041 178.590 176.300 0.414 0.000 1.139 73 R CA 1.744 58.120 56.100 0.460 0.000 0.952 73 R CB -0.692 29.855 30.300 0.412 0.000 0.854 73 R HN 0.613 nan 8.270 nan 0.000 0.436 74 F N 0.262 120.262 119.950 0.083 0.000 2.091 74 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 74 F C 1.660 177.345 175.800 -0.191 0.000 1.103 74 F CA 1.519 59.411 58.000 -0.179 0.000 1.228 74 F CB -0.394 38.344 39.000 -0.438 0.000 0.984 74 F HN 0.044 nan 8.300 nan 0.000 0.477 75 W N -0.467 120.802 121.300 -0.050 0.000 2.381 75 W HA -0.139 4.521 4.660 -0.000 0.000 0.301 75 W C 2.830 179.297 176.519 -0.087 0.000 1.205 75 W CA 1.609 58.888 57.345 -0.110 0.000 1.285 75 W CB -1.018 28.528 29.460 0.144 0.000 1.133 75 W HN 0.170 nan 8.180 nan 0.000 0.521 76 H N 0.421 119.572 119.070 0.134 0.000 2.265 76 H HA -0.262 4.294 4.556 -0.000 0.000 0.295 76 H C 2.336 177.582 175.328 -0.137 0.000 1.084 76 H CA 1.897 57.997 56.048 0.086 0.000 1.261 76 H CB -0.404 29.499 29.762 0.235 0.000 1.360 76 H HN 0.098 nan 8.280 nan 0.000 0.487 77 L N 0.655 121.596 121.223 -0.471 0.000 2.043 77 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 77 L C 2.507 179.003 176.870 -0.622 0.000 1.075 77 L CA 1.354 55.574 54.840 -1.034 0.000 0.752 77 L CB -0.264 40.786 42.059 -1.680 0.000 0.891 77 L HN 0.210 nan 8.230 nan 0.000 0.432 78 V N 0.088 119.674 119.914 -0.548 0.000 2.343 78 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 78 V C 2.464 178.468 176.094 -0.150 0.000 1.051 78 V CA 2.139 64.219 62.300 -0.366 0.000 1.036 78 V CB -0.690 30.918 31.823 -0.359 0.000 0.654 78 V HN 0.611 nan 8.190 nan 0.000 0.451 79 E N 0.473 120.633 120.200 -0.065 0.000 2.023 79 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 79 E C 2.282 178.789 176.600 -0.155 0.000 1.003 79 E CA 1.845 58.222 56.400 -0.039 0.000 0.809 79 E CB -0.272 29.466 29.700 0.063 0.000 0.755 79 E HN 0.542 nan 8.360 nan 0.000 0.449 80 L N 0.609 121.735 121.223 -0.161 0.000 1.991 80 L HA -0.283 4.057 4.340 -0.000 0.000 0.221 80 L C 2.873 179.667 176.870 -0.127 0.000 1.079 80 L CA 1.511 56.247 54.840 -0.173 0.000 0.778 80 L CB -0.573 41.318 42.059 -0.279 0.000 0.893 80 L HN 0.318 nan 8.230 nan 0.000 0.437 81 L N -0.929 120.202 121.223 -0.153 0.000 2.093 81 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 81 L C 2.475 179.346 176.870 0.002 0.000 1.085 81 L CA 1.054 55.864 54.840 -0.050 0.000 0.755 81 L CB -0.233 41.760 42.059 -0.110 0.000 0.904 81 L HN 0.292 nan 8.230 nan 0.000 0.435 82 L N -1.463 119.719 121.223 -0.069 0.000 2.131 82 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 82 L C 2.463 179.205 176.870 -0.214 0.000 1.087 82 L CA 0.407 55.224 54.840 -0.037 0.000 0.767 82 L CB -0.327 41.795 42.059 0.105 0.000 0.917 82 L HN 0.026 nan 8.230 nan 0.000 0.441 83 V N -0.033 119.576 119.914 -0.507 0.000 2.255 83 V HA -0.352 3.768 4.120 -0.000 0.000 0.247 83 V C 2.257 178.241 176.094 -0.184 0.000 1.051 83 V CA 2.297 64.199 62.300 -0.663 0.000 1.018 83 V CB -0.620 30.921 31.823 -0.471 0.000 0.641 83 V HN 0.370 nan 8.190 nan 0.000 0.445 84 F N 1.197 121.053 119.950 -0.156 0.000 2.075 84 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 84 F C 2.596 178.384 175.800 -0.020 0.000 1.113 84 F CA 1.794 59.766 58.000 -0.047 0.000 1.218 84 F CB -0.453 38.567 39.000 0.034 0.000 0.984 84 F HN -0.055 nan 8.300 nan 0.000 0.472 85 R N 0.163 120.557 120.500 -0.177 0.000 2.082 85 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 85 R C 2.107 178.297 176.300 -0.184 0.000 1.136 85 R CA 2.182 58.142 56.100 -0.234 0.000 0.935 85 R CB -0.958 29.324 30.300 -0.030 0.000 0.842 85 R HN 0.367 nan 8.270 nan 0.000 0.430 86 N N -0.176 118.500 118.700 -0.039 0.000 2.132 86 N HA -0.059 4.681 4.740 -0.000 0.000 0.187 86 N C 1.686 177.229 175.510 0.054 0.000 1.038 86 N CA 1.017 54.105 53.050 0.062 0.000 0.846 86 N CB -0.089 38.561 38.487 0.271 0.000 1.012 86 N HN 0.216 nan 8.380 nan 0.000 0.429 87 A N 0.556 123.421 122.820 0.074 0.000 2.093 87 A HA -0.187 4.133 4.320 -0.000 0.000 0.222 87 A C 0.654 178.229 177.584 -0.014 0.000 1.162 87 A CA 0.859 52.939 52.037 0.072 0.000 0.655 87 A CB -0.655 18.361 19.000 0.028 0.000 0.805 87 A HN 0.392 nan 8.150 nan 0.000 0.461 88 D N 0.229 120.564 120.400 -0.109 0.000 2.570 88 D HA 0.052 4.692 4.640 -0.000 0.000 0.243 88 D C -0.701 175.546 176.300 -0.088 0.000 1.171 88 D CA 0.834 54.735 54.000 -0.165 0.000 0.879 88 D CB 0.057 40.679 40.800 -0.296 0.000 1.143 88 D HN 0.312 nan 8.370 nan 0.000 0.511 89 L N 4.486 125.670 121.223 -0.066 0.000 2.462 89 L HA 0.104 4.444 4.340 -0.000 0.000 0.255 89 L C -0.216 176.628 176.870 -0.044 0.000 1.076 89 L CA -0.906 53.909 54.840 -0.042 0.000 0.920 89 L CB 1.292 43.339 42.059 -0.019 0.000 1.214 89 L HN 0.235 nan 8.230 nan 0.000 0.472 90 D N 3.768 124.137 120.400 -0.052 0.000 7.900 90 D HA -0.150 4.490 4.640 -0.000 0.000 0.177 90 D C 0.567 176.844 176.300 -0.037 0.000 1.430 90 D CA 1.085 55.056 54.000 -0.047 0.000 0.886 90 D CB 0.045 40.821 40.800 -0.039 0.000 1.676 90 D HN 0.357 nan 8.370 nan 0.000 0.967 91 L N 1.023 122.222 121.223 -0.040 0.000 2.475 91 L HA 0.096 4.436 4.340 -0.000 0.000 0.212 91 L C 1.438 178.287 176.870 -0.034 0.000 1.204 91 L CA -0.322 54.498 54.840 -0.034 0.000 0.843 91 L CB 0.252 42.289 42.059 -0.036 0.000 1.360 91 L HN 0.166 nan 8.230 nan 0.000 0.527 92 D N -0.193 120.187 120.400 -0.032 0.000 2.357 92 D HA 0.060 4.700 4.640 -0.000 0.000 0.242 92 D C -0.316 175.959 176.300 -0.042 0.000 1.153 92 D CA -0.065 53.916 54.000 -0.033 0.000 0.918 92 D CB 1.195 41.978 40.800 -0.029 0.000 1.181 92 D HN 0.368 nan 8.370 nan 0.000 0.435 93 E N 0.588 120.763 120.200 -0.041 0.000 2.314 93 E HA 0.317 4.667 4.350 -0.000 0.000 0.262 93 E C -0.910 175.652 176.600 -0.064 0.000 1.093 93 E CA -0.416 55.953 56.400 -0.051 0.000 0.908 93 E CB 1.016 30.690 29.700 -0.043 0.000 1.091 93 E HN 0.285 nan 8.360 nan 0.000 0.425 94 M N 2.402 121.952 119.600 -0.084 0.000 2.167 94 M HA 0.289 4.769 4.480 -0.000 0.000 0.333 94 M C -1.343 174.868 176.300 -0.149 0.000 1.030 94 M CA -0.193 55.038 55.300 -0.114 0.000 0.963 94 M CB 1.159 33.680 32.600 -0.131 0.000 1.589 94 M HN 0.434 nan 8.290 nan 0.000 0.431 95 E N 5.785 125.881 120.200 -0.172 0.000 2.073 95 E HA 0.417 4.767 4.350 -0.000 0.000 0.269 95 E C -1.118 175.229 176.600 -0.421 0.000 0.917 95 E CA -0.332 55.924 56.400 -0.241 0.000 0.757 95 E CB 1.309 30.899 29.700 -0.183 0.000 1.111 95 E HN 0.641 nan 8.360 nan 0.000 0.410 96 L N 2.717 123.654 121.223 -0.477 0.000 2.400 96 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 96 L C 0.312 176.752 176.870 -0.717 0.000 1.061 96 L CA -0.961 53.515 54.840 -0.606 0.000 0.799 96 L CB 0.895 42.524 42.059 -0.717 0.000 1.240 96 L HN 0.509 nan 8.230 nan 0.000 0.461 97 H N -0.660 118.231 119.070 -0.299 0.000 2.894 97 H HA 0.245 4.801 4.556 0.000 0.000 0.368 97 H C -2.014 173.225 175.328 -0.148 0.000 1.181 97 H CA -1.873 54.003 56.048 -0.287 0.000 1.146 97 H CB 1.767 31.131 29.762 -0.663 0.000 1.839 97 H HN 0.218 nan 8.280 nan 0.000 0.557 98 P HA -0.147 nan 4.420 nan 0.000 0.221 98 P C 1.046 178.434 177.300 0.147 0.000 1.145 98 P CA 1.267 64.441 63.100 0.124 0.000 0.795 98 P CB -0.117 31.645 31.700 0.103 0.000 0.775 99 Y N -1.906 118.506 120.300 0.185 0.000 2.546 99 Y HA 0.182 4.732 4.550 0.000 0.000 0.287 99 Y C 0.353 176.360 175.900 0.178 0.000 1.158 99 Y CA -0.944 57.240 58.100 0.140 0.000 1.307 99 Y CB -1.921 36.596 38.460 0.095 0.000 1.036 99 Y HN -0.169 nan 8.280 nan 0.000 0.532 100 N N 0.830 119.558 118.700 0.047 0.000 2.482 100 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 100 N C -0.344 175.346 175.510 0.300 0.000 1.236 100 N CA 0.043 53.179 53.050 0.143 0.000 0.938 100 N CB 0.517 38.987 38.487 -0.029 0.000 1.128 100 N HN 0.149 nan 8.380 nan 0.000 0.448 101 S N 0.778 116.626 115.700 0.247 0.000 2.603 101 S HA 0.126 4.596 4.470 -0.000 0.000 0.268 101 S C 1.398 176.186 174.600 0.314 0.000 1.317 101 S CA -0.648 57.711 58.200 0.265 0.000 1.012 101 S CB 1.095 64.422 63.200 0.212 0.000 0.926 101 S HN 0.480 nan 8.310 nan 0.000 0.539 102 R N 1.324 121.957 120.500 0.222 0.000 2.133 102 R HA -0.159 4.181 4.340 -0.000 0.000 0.247 102 R C 2.408 178.815 176.300 0.179 0.000 1.151 102 R CA 1.547 57.749 56.100 0.170 0.000 0.971 102 R CB -1.090 29.252 30.300 0.071 0.000 0.866 102 R HN 0.853 nan 8.270 nan 0.000 0.447 103 G N 0.928 109.784 108.800 0.094 0.000 2.440 103 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 103 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 103 G C 1.508 176.414 174.900 0.011 0.000 1.154 103 G CA 0.330 45.430 45.100 -0.000 0.000 0.767 103 G HN 0.195 nan 8.290 nan 0.000 0.552 104 L N -0.981 120.260 121.223 0.029 0.000 2.109 104 L HA 0.075 4.415 4.340 -0.000 0.000 0.207 104 L C 2.696 179.493 176.870 -0.121 0.000 1.086 104 L CA 0.634 55.430 54.840 -0.073 0.000 0.760 104 L CB -0.270 41.702 42.059 -0.146 0.000 0.910 104 L HN 0.174 nan 8.230 nan 0.000 0.437 105 F N 0.302 120.266 119.950 0.024 0.000 2.134 105 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 105 F C 2.620 178.500 175.800 0.133 0.000 1.097 105 F CA 1.653 59.726 58.000 0.122 0.000 1.264 105 F CB -0.306 38.766 39.000 0.121 0.000 1.001 105 F HN 0.142 nan 8.300 nan 0.000 0.479 106 E N 0.516 120.837 120.200 0.201 0.000 2.051 106 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 106 E C 2.196 178.764 176.600 -0.054 0.000 0.991 106 E CA 1.159 57.592 56.400 0.054 0.000 0.799 106 E CB 0.066 29.757 29.700 -0.015 0.000 0.748 106 E HN 0.230 nan 8.360 nan 0.000 0.449 107 K N 0.781 121.146 120.400 -0.058 0.000 2.009 107 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 107 K C 2.253 178.786 176.600 -0.112 0.000 1.049 107 K CA 1.658 57.893 56.287 -0.087 0.000 0.929 107 K CB -0.381 32.077 32.500 -0.070 0.000 0.714 107 K HN 0.077 nan 8.250 nan 0.000 0.440 108 K N 1.429 121.755 120.400 -0.124 0.000 1.991 108 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 108 K C 2.236 178.718 176.600 -0.197 0.000 1.049 108 K CA 1.346 57.545 56.287 -0.146 0.000 0.932 108 K CB -0.455 31.952 32.500 -0.155 0.000 0.717 108 K HN 0.011 nan 8.250 nan 0.000 0.441 109 L N 0.788 121.816 121.223 -0.325 0.000 2.021 109 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 109 L C 2.112 178.808 176.870 -0.291 0.000 1.074 109 L CA 2.002 56.483 54.840 -0.600 0.000 0.760 109 L CB -0.501 41.077 42.059 -0.802 0.000 0.889 109 L HN 0.383 nan 8.230 nan 0.000 0.433 110 M N -1.154 118.335 119.600 -0.185 0.000 2.296 110 M HA -0.158 4.322 4.480 -0.000 0.000 0.265 110 M C 2.210 178.472 176.300 -0.064 0.000 1.064 110 M CA 1.428 56.688 55.300 -0.066 0.000 1.109 110 M CB -1.198 31.369 32.600 -0.054 0.000 1.396 110 M HN 0.486 nan 8.290 nan 0.000 0.430 111 Q N 0.026 119.755 119.800 -0.118 0.000 2.033 111 Q HA -0.135 4.205 4.340 -0.000 0.000 0.196 111 Q C 1.567 177.518 176.000 -0.083 0.000 0.970 111 Q CA 1.178 56.904 55.803 -0.127 0.000 0.828 111 Q CB -0.035 28.634 28.738 -0.114 0.000 0.895 111 Q HN 0.456 nan 8.270 nan 0.000 0.440 112 D N 0.814 121.162 120.400 -0.087 0.000 2.178 112 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 112 D C 0.671 176.954 176.300 -0.028 0.000 0.974 112 D CA 0.859 54.822 54.000 -0.060 0.000 0.841 112 D CB -0.239 40.517 40.800 -0.073 0.000 0.953 112 D HN 0.047 nan 8.370 nan 0.000 0.478 113 N N 0.983 119.663 118.700 -0.033 0.000 2.801 113 N HA 0.040 4.780 4.740 -0.000 0.000 0.235 113 N C 0.527 176.102 175.510 0.109 0.000 1.069 113 N CA -0.088 52.969 53.050 0.013 0.000 0.946 113 N CB 0.381 38.844 38.487 -0.041 0.000 1.212 113 N HN -0.071 nan 8.380 nan 0.000 0.509 114 K N 0.999 121.493 120.400 0.157 0.000 2.103 114 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 114 K C 1.435 178.209 176.600 0.289 0.000 1.048 114 K CA 0.977 57.458 56.287 0.323 0.000 0.930 114 K CB 0.191 32.849 32.500 0.263 0.000 0.716 114 K HN 0.495 nan 8.250 nan 0.000 0.444 115 Q N 0.991 120.889 119.800 0.164 0.000 2.029 115 Q HA -0.203 4.136 4.340 -0.000 0.000 0.209 115 Q C 2.243 178.306 176.000 0.105 0.000 0.999 115 Q CA 1.572 57.447 55.803 0.120 0.000 0.857 115 Q CB -0.420 28.361 28.738 0.073 0.000 0.926 115 Q HN 0.400 nan 8.270 nan 0.000 0.415 116 L N -0.573 120.700 121.223 0.084 0.000 2.027 116 L HA -0.212 4.128 4.340 -0.000 0.000 0.206 116 L C 2.450 179.353 176.870 0.056 0.000 1.074 116 L CA 1.330 56.201 54.840 0.051 0.000 0.745 116 L CB -0.451 41.617 42.059 0.015 0.000 0.898 116 L HN 0.213 nan 8.230 nan 0.000 0.433 117 Y N 0.812 121.102 120.300 -0.016 0.000 2.193 117 Y HA -0.393 4.157 4.550 -0.000 0.000 0.285 117 Y C 2.686 178.532 175.900 -0.090 0.000 1.166 117 Y CA 2.243 60.299 58.100 -0.073 0.000 1.181 117 Y CB -0.279 38.073 38.460 -0.180 0.000 0.976 117 Y HN 0.332 nan 8.280 nan 0.000 0.520 118 Q N -0.145 119.640 119.800 -0.023 0.000 2.135 118 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 118 Q C 2.255 178.195 176.000 -0.099 0.000 0.981 118 Q CA 2.193 57.961 55.803 -0.059 0.000 0.856 118 Q CB -0.261 28.538 28.738 0.102 0.000 0.902 118 Q HN 0.597 nan 8.270 nan 0.000 0.425 119 I N -0.451 120.098 120.570 -0.035 0.000 2.208 119 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 119 I C 2.133 178.244 176.117 -0.010 0.000 1.097 119 I CA 1.144 62.440 61.300 -0.007 0.000 1.363 119 I CB -0.568 37.453 38.000 0.034 0.000 1.051 119 I HN 0.552 nan 8.210 nan 0.000 0.413 120 W N 2.027 123.141 121.300 -0.309 0.000 2.332 120 W HA -0.258 4.402 4.660 0.000 0.000 0.321 120 W C 2.458 178.754 176.519 -0.371 0.000 1.219 120 W CA 1.167 58.286 57.345 -0.376 0.000 1.277 120 W CB -0.052 29.028 29.460 -0.633 0.000 1.161 120 W HN 0.006 nan 8.180 nan 0.000 0.476 121 I N 1.163 121.436 120.570 -0.494 0.000 2.185 121 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 121 I C 2.300 178.220 176.117 -0.328 0.000 1.088 121 I CA 1.430 62.449 61.300 -0.468 0.000 1.347 121 I CB -1.678 36.111 38.000 -0.351 0.000 1.041 121 I HN -0.078 nan 8.210 nan 0.000 0.415 122 V N 0.181 119.966 119.914 -0.215 0.000 2.427 122 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 122 V C 2.535 178.594 176.094 -0.059 0.000 1.051 122 V CA 1.450 63.707 62.300 -0.072 0.000 1.048 122 V CB -0.438 31.365 31.823 -0.032 0.000 0.666 122 V HN 0.347 nan 8.190 nan 0.000 0.456 123 M N -0.806 118.657 119.600 -0.230 0.000 2.175 123 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 123 M C 2.217 178.203 176.300 -0.523 0.000 1.063 123 M CA 1.373 56.461 55.300 -0.354 0.000 1.119 123 M CB -0.415 32.035 32.600 -0.250 0.000 1.377 123 M HN 0.220 nan 8.290 nan 0.000 0.415 124 V N -0.618 118.904 119.914 -0.653 0.000 2.332 124 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 124 V C 1.933 177.830 176.094 -0.328 0.000 1.055 124 V CA 2.015 63.952 62.300 -0.606 0.000 1.038 124 V CB -0.729 30.694 31.823 -0.668 0.000 0.651 124 V HN 0.690 nan 8.190 nan 0.000 0.450 125 W N 0.483 121.530 121.300 -0.422 0.000 2.354 125 W HA -0.154 4.506 4.660 -0.000 0.000 0.315 125 W C 2.167 178.533 176.519 -0.255 0.000 1.206 125 W CA 1.601 58.746 57.345 -0.333 0.000 1.290 125 W CB -0.513 28.743 29.460 -0.340 0.000 1.152 125 W HN 0.134 nan 8.180 nan 0.000 0.489 126 L N 0.856 121.805 121.223 -0.458 0.000 2.043 126 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 126 L C 2.563 179.084 176.870 -0.582 0.000 1.075 126 L CA 2.044 56.477 54.840 -0.680 0.000 0.752 126 L CB -0.778 40.967 42.059 -0.524 0.000 0.891 126 L HN 0.019 nan 8.230 nan 0.000 0.432 127 K N -0.258 119.825 120.400 -0.528 0.000 2.001 127 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 127 K C 1.943 178.381 176.600 -0.269 0.000 1.048 127 K CA 1.465 57.538 56.287 -0.356 0.000 0.932 127 K CB -0.203 32.123 32.500 -0.291 0.000 0.715 127 K HN 0.122 nan 8.250 nan 0.000 0.437 128 E N 1.389 121.434 120.200 -0.259 0.000 2.197 128 E HA -0.223 4.127 4.350 -0.000 0.000 0.205 128 E C 0.521 177.022 176.600 -0.166 0.000 1.029 128 E CA 1.573 57.877 56.400 -0.159 0.000 0.828 128 E CB 0.031 29.688 29.700 -0.072 0.000 0.737 128 E HN 0.249 nan 8.360 nan 0.000 0.464 129 N N -0.017 118.513 118.700 -0.283 0.000 2.321 129 N HA 0.057 4.797 4.740 -0.000 0.000 0.242 129 N C -0.908 174.498 175.510 -0.174 0.000 1.141 129 N CA 0.120 53.030 53.050 -0.232 0.000 0.864 129 N CB 1.130 39.405 38.487 -0.353 0.000 1.100 129 N HN -0.045 nan 8.380 nan 0.000 0.510 130 T N 0.779 115.246 114.554 -0.145 0.000 2.882 130 T HA 0.149 4.499 4.350 -0.000 0.000 0.287 130 T C -0.498 174.197 174.700 -0.009 0.000 0.992 130 T CA -0.264 61.789 62.100 -0.078 0.000 1.076 130 T CB 1.142 69.949 68.868 -0.100 0.000 0.961 130 T HN 0.127 nan 8.240 nan 0.000 0.490 131 Y N 3.397 123.651 120.300 -0.076 0.000 2.335 131 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 131 Y C -0.769 175.105 175.900 -0.045 0.000 1.094 131 Y CA -0.549 57.520 58.100 -0.051 0.000 1.253 131 Y CB 0.552 38.991 38.460 -0.035 0.000 1.203 131 Y HN 0.319 nan 8.280 nan 0.000 0.508 132 V N 8.384 127.852 119.914 -0.743 0.000 2.588 132 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 132 V C 0.312 175.934 176.094 -0.786 0.000 1.042 132 V CA -1.128 60.836 62.300 -0.560 0.000 0.877 132 V CB 1.416 33.093 31.823 -0.244 0.000 0.996 132 V HN 0.994 nan 8.190 nan 0.000 0.425 133 M N 2.866 122.173 119.600 -0.488 0.000 2.081 133 M HA 0.345 4.825 4.480 -0.000 0.000 0.259 133 M C 0.236 176.362 176.300 -0.290 0.000 1.274 133 M CA 0.180 55.279 55.300 -0.335 0.000 1.103 133 M CB 0.073 32.578 32.600 -0.158 0.000 1.349 133 M HN 0.798 nan 8.290 nan 0.000 0.435 134 E N 0.439 120.494 120.200 -0.243 0.000 2.266 134 E HA 0.339 4.689 4.350 -0.000 0.000 0.277 134 E C -0.870 175.469 176.600 -0.435 0.000 1.018 134 E CA -0.911 55.343 56.400 -0.244 0.000 0.840 134 E CB 1.119 30.735 29.700 -0.140 0.000 1.082 134 E HN 0.624 nan 8.360 nan 0.000 0.395 135 R N 2.679 122.909 120.500 -0.449 0.000 2.494 135 R HA 0.017 4.357 4.340 -0.000 0.000 0.291 135 R C -1.974 174.078 176.300 -0.414 0.000 0.953 135 R CA -0.927 54.803 56.100 -0.616 0.000 1.098 135 R CB -0.073 30.099 30.300 -0.213 0.000 0.911 135 R HN 0.432 nan 8.270 nan 0.000 0.407 136 P HA -0.051 nan 4.420 nan 0.000 0.262 136 P C -0.790 176.442 177.300 -0.113 0.000 1.182 136 P CA 0.520 63.493 63.100 -0.212 0.000 0.761 136 P CB 0.553 32.170 31.700 -0.137 0.000 0.795 137 K N 2.195 122.548 120.400 -0.078 0.000 2.098 137 K HA 0.242 4.562 4.320 -0.000 0.000 0.244 137 K C 0.580 177.166 176.600 -0.023 0.000 1.014 137 K CA -0.704 55.556 56.287 -0.045 0.000 0.917 137 K CB 0.319 32.796 32.500 -0.038 0.000 1.072 137 K HN 0.351 nan 8.250 nan 0.000 0.477 138 N N 0.016 118.708 118.700 -0.013 0.000 2.727 138 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 138 N C -0.969 174.542 175.510 0.003 0.000 1.048 138 N CA 0.339 53.387 53.050 -0.003 0.000 0.714 138 N CB -0.967 37.520 38.487 -0.000 0.000 0.959 138 N HN 0.210 nan 8.380 nan 0.000 0.544 139 V N 1.987 121.903 119.914 0.002 0.000 2.614 139 V HA 0.175 4.295 4.120 -0.000 0.000 0.291 139 V C -1.048 175.047 176.094 0.001 0.000 1.049 139 V CA -0.948 61.356 62.300 0.007 0.000 1.038 139 V CB 0.937 32.767 31.823 0.013 0.000 0.980 139 V HN 0.182 nan 8.190 nan 0.000 0.481 140 P HA 0.043 nan 4.420 nan 0.000 0.264 140 P C 1.087 178.378 177.300 -0.014 0.000 1.193 140 P CA 0.097 63.197 63.100 0.000 0.000 0.763 140 P CB 0.619 32.326 31.700 0.012 0.000 0.810 141 T N 0.327 114.876 114.554 -0.009 0.000 2.718 141 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 141 T C 0.976 175.660 174.700 -0.027 0.000 1.033 141 T CA 1.507 63.598 62.100 -0.014 0.000 1.151 141 T CB -0.764 68.100 68.868 -0.007 0.000 0.853 141 T HN 0.734 nan 8.240 nan 0.000 0.466 142 S N -0.867 114.817 115.700 -0.028 0.000 2.625 142 S HA 0.613 5.083 4.470 -0.000 0.000 0.271 142 S C -1.009 173.562 174.600 -0.049 0.000 1.161 142 S CA -1.426 56.746 58.200 -0.047 0.000 0.820 142 S CB 2.416 65.597 63.200 -0.031 0.000 1.137 142 S HN 0.443 nan 8.310 nan 0.000 0.470 143 K N 0.152 120.492 120.400 -0.101 0.000 2.295 143 K HA 0.234 4.554 4.320 -0.000 0.000 0.270 143 K C -0.570 176.061 176.600 0.051 0.000 1.011 143 K CA 0.019 56.223 56.287 -0.137 0.000 0.953 143 K CB -0.010 32.273 32.500 -0.362 0.000 0.956 143 K HN 0.642 nan 8.250 nan 0.000 0.477 144 W N 3.366 124.651 121.300 -0.025 0.000 6.914 144 W HA -0.230 4.430 4.660 -0.000 0.000 0.401 144 W C 0.525 177.041 176.519 -0.006 0.000 1.503 144 W CA 0.163 57.509 57.345 0.001 0.000 1.126 144 W CB -2.145 27.324 29.460 0.015 0.000 2.668 144 W HN 0.617 nan 8.180 nan 0.000 1.631 145 L N 1.308 122.643 121.223 0.187 0.000 2.012 145 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 145 L C 2.207 179.126 176.870 0.082 0.000 1.073 145 L CA 2.373 57.275 54.840 0.104 0.000 0.748 145 L CB -0.803 41.294 42.059 0.064 0.000 0.891 145 L HN 0.083 nan 8.230 nan 0.000 0.431 146 N N -0.915 117.831 118.700 0.076 0.000 2.069 146 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 146 N C 1.788 177.314 175.510 0.026 0.000 1.031 146 N CA 1.752 54.827 53.050 0.043 0.000 0.852 146 N CB -0.374 38.134 38.487 0.036 0.000 1.018 146 N HN 0.347 nan 8.380 nan 0.000 0.423 147 S N 1.439 117.152 115.700 0.022 0.000 2.356 147 S HA -0.004 4.466 4.470 -0.000 0.000 0.223 147 S C 2.096 176.703 174.600 0.010 0.000 1.032 147 S CA 0.546 58.736 58.200 -0.016 0.000 1.005 147 S CB -0.097 63.049 63.200 -0.091 0.000 0.867 147 S HN 0.220 nan 8.310 nan 0.000 0.449 148 I N 1.921 122.521 120.570 0.049 0.000 2.163 148 I HA -0.153 4.017 4.170 -0.000 0.000 0.243 148 I C 2.377 178.505 176.117 0.018 0.000 1.085 148 I CA 1.504 62.826 61.300 0.037 0.000 1.347 148 I CB -1.937 36.098 38.000 0.059 0.000 1.044 148 I HN 0.285 nan 8.210 nan 0.000 0.408 149 T N 0.516 115.084 114.554 0.023 0.000 2.867 149 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 149 T C 1.901 176.606 174.700 0.008 0.000 1.057 149 T CA 1.293 63.402 62.100 0.015 0.000 1.136 149 T CB -0.077 68.802 68.868 0.018 0.000 0.874 149 T HN 0.246 nan 8.240 nan 0.000 0.466 150 S N 0.193 115.897 115.700 0.006 0.000 2.603 150 S HA 0.357 4.827 4.470 -0.000 0.000 0.220 150 S C 1.082 175.682 174.600 -0.000 0.000 0.967 150 S CA 0.206 58.408 58.200 0.002 0.000 0.920 150 S CB -0.325 62.874 63.200 -0.002 0.000 0.773 150 S HN 0.807 nan 8.310 nan 0.000 0.529 151 G N 0.337 109.136 108.800 -0.001 0.000 3.129 151 G HA2 0.083 4.043 3.960 -0.000 0.000 0.304 151 G HA3 0.083 4.043 3.960 -0.000 0.000 0.304 151 G C 0.461 175.358 174.900 -0.005 0.000 0.679 151 G CA -0.046 45.051 45.100 -0.006 0.000 0.812 151 G HN 0.792 nan 8.290 nan 0.000 0.409 152 G N 0.939 109.730 108.800 -0.015 0.000 4.258 152 G HA2 0.187 4.147 3.960 -0.000 0.000 0.208 152 G HA3 0.187 4.147 3.960 -0.000 0.000 0.208 152 G C 0.407 175.295 174.900 -0.020 0.000 0.777 152 G CA -0.062 45.040 45.100 0.004 0.000 0.836 152 G HN 1.059 nan 8.290 nan 0.000 0.499 153 L N 2.753 123.913 121.223 -0.106 0.000 2.385 153 L HA 0.285 4.625 4.340 -0.000 0.000 0.285 153 L C 1.517 178.144 176.870 -0.405 0.000 1.125 153 L CA -0.512 54.135 54.840 -0.322 0.000 0.890 153 L CB 0.964 42.914 42.059 -0.183 0.000 1.251 153 L HN 0.030 nan 8.230 nan 0.000 0.445 154 K N 0.767 120.834 120.400 -0.556 0.000 2.283 154 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 154 K C 0.730 177.113 176.600 -0.363 0.000 1.048 154 K CA 0.492 56.598 56.287 -0.302 0.000 0.948 154 K CB 0.261 32.733 32.500 -0.047 0.000 0.742 154 K HN 0.455 nan 8.250 nan 0.000 0.458 155 S N -1.158 114.105 115.700 -0.729 0.000 2.541 155 S HA 0.211 4.681 4.470 -0.000 0.000 0.271 155 S C -0.214 174.201 174.600 -0.310 0.000 1.133 155 S CA -0.933 57.046 58.200 -0.367 0.000 0.876 155 S CB 1.380 64.505 63.200 -0.125 0.000 1.105 155 S HN 0.230 nan 8.310 nan 0.000 0.470 156 C N 2.949 122.213 119.300 -0.061 0.000 2.688 156 C HA 0.302 4.762 4.460 -0.000 0.000 0.297 156 C C 0.585 175.631 174.990 0.093 0.000 1.308 156 C CA -0.783 58.279 59.018 0.072 0.000 1.726 156 C CB -1.952 25.801 27.740 0.022 0.000 1.982 156 C HN 0.817 nan 8.230 nan 0.000 0.604 157 D N 0.659 121.145 120.400 0.142 0.000 2.283 157 D HA 0.113 4.753 4.640 -0.000 0.000 0.248 157 D C 1.044 177.487 176.300 0.238 0.000 1.072 157 D CA -0.442 53.630 54.000 0.121 0.000 0.929 157 D CB 1.110 41.983 40.800 0.121 0.000 1.182 157 D HN 0.170 nan 8.370 nan 0.000 0.433 158 L N 0.441 121.730 121.223 0.110 0.000 2.129 158 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 158 L C 1.347 178.428 176.870 0.352 0.000 1.087 158 L CA 1.349 56.322 54.840 0.223 0.000 0.757 158 L CB -0.414 41.723 42.059 0.131 0.000 0.896 158 L HN 0.430 nan 8.230 nan 0.000 0.434 159 D N -0.840 119.709 120.400 0.249 0.000 2.363 159 D HA -0.098 4.542 4.640 -0.000 0.000 0.226 159 D C 1.649 178.077 176.300 0.214 0.000 1.020 159 D CA 0.364 54.478 54.000 0.191 0.000 0.892 159 D CB 0.065 40.937 40.800 0.120 0.000 0.900 159 D HN 0.198 nan 8.370 nan 0.000 0.531 160 F N 1.925 121.990 119.950 0.191 0.000 2.084 160 F HA -0.033 4.494 4.527 -0.000 0.000 0.296 160 F C -0.998 174.847 175.800 0.076 0.000 1.111 160 F CA 0.660 58.743 58.000 0.138 0.000 1.224 160 F CB -1.014 38.095 39.000 0.182 0.000 0.991 160 F HN -0.048 nan 8.300 nan 0.000 0.471 161 P HA -0.054 nan 4.420 nan 0.000 0.237 161 P C 1.627 178.848 177.300 -0.132 0.000 1.178 161 P CA 1.112 64.108 63.100 -0.172 0.000 0.766 161 P CB -0.050 31.602 31.700 -0.079 0.000 0.876 162 L N -1.145 120.041 121.223 -0.061 0.000 2.102 162 L HA 0.007 4.347 4.340 -0.000 0.000 0.202 162 L C 2.560 179.369 176.870 -0.102 0.000 1.076 162 L CA 1.038 55.849 54.840 -0.048 0.000 0.761 162 L CB -0.573 41.489 42.059 0.005 0.000 0.921 162 L HN -0.148 nan 8.230 nan 0.000 0.444 163 R N 0.542 120.963 120.500 -0.133 0.000 2.170 163 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 163 R C -0.088 176.092 176.300 -0.199 0.000 1.145 163 R CA 1.129 57.139 56.100 -0.150 0.000 0.984 163 R CB 0.155 30.369 30.300 -0.144 0.000 0.869 163 R HN 0.534 nan 8.270 nan 0.000 0.455 164 E N -0.297 119.730 120.200 -0.288 0.000 2.381 164 E HA 0.061 4.411 4.350 -0.000 0.000 0.286 164 E C -1.460 175.003 176.600 -0.228 0.000 0.960 164 E CA -0.993 55.263 56.400 -0.240 0.000 0.793 164 E CB 0.518 30.057 29.700 -0.269 0.000 1.225 164 E HN 0.208 nan 8.360 nan 0.000 0.420 165 N N 1.020 119.634 118.700 -0.143 0.000 1.403 165 N HA -0.253 4.487 4.740 -0.000 0.000 0.406 165 N C 0.082 175.520 175.510 -0.120 0.000 1.163 165 N CA 1.341 54.325 53.050 -0.110 0.000 0.746 165 N CB -0.159 38.279 38.487 -0.081 0.000 0.945 165 N HN 0.592 nan 8.380 nan 0.000 0.558 166 T N 0.783 115.282 114.554 -0.093 0.000 3.098 166 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 166 T C 1.302 175.954 174.700 -0.080 0.000 1.145 166 T CA 1.021 63.068 62.100 -0.088 0.000 1.092 166 T CB -0.536 68.295 68.868 -0.061 0.000 0.908 166 T HN 0.718 nan 8.240 nan 0.000 0.526 167 N N 1.173 119.833 118.700 -0.067 0.000 2.334 167 N HA -0.115 4.625 4.740 -0.000 0.000 0.187 167 N C 1.510 176.990 175.510 -0.050 0.000 1.016 167 N CA 0.658 53.677 53.050 -0.051 0.000 0.879 167 N CB -0.429 38.034 38.487 -0.040 0.000 0.965 167 N HN 0.211 nan 8.380 nan 0.000 0.438 168 V N 0.529 120.411 119.914 -0.054 0.000 2.287 168 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 168 V C 1.271 177.316 176.094 -0.082 0.000 1.053 168 V CA 1.067 63.357 62.300 -0.017 0.000 1.027 168 V CB -0.439 31.418 31.823 0.057 0.000 0.646 168 V HN 0.286 nan 8.190 nan 0.000 0.447 169 L N 1.651 122.771 121.223 -0.171 0.000 2.367 169 L HA 0.174 4.514 4.340 -0.000 0.000 0.275 169 L C 0.434 177.209 176.870 -0.157 0.000 1.129 169 L CA -0.137 54.539 54.840 -0.273 0.000 0.839 169 L CB 0.400 42.206 42.059 -0.423 0.000 1.133 169 L HN 0.332 nan 8.230 nan 0.000 0.453 170 D N 2.515 122.834 120.400 -0.135 0.000 2.472 170 D HA -0.031 4.609 4.640 -0.000 0.000 0.237 170 D C 1.099 177.371 176.300 -0.047 0.000 1.141 170 D CA -0.190 53.771 54.000 -0.065 0.000 0.875 170 D CB 1.701 42.478 40.800 -0.039 0.000 1.192 170 D HN 0.245 nan 8.370 nan 0.000 0.450 171 V N 5.357 125.258 119.914 -0.023 0.000 2.252 171 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 171 V C 2.525 178.630 176.094 0.018 0.000 1.056 171 V CA 1.958 64.255 62.300 -0.004 0.000 1.022 171 V CB -0.524 31.299 31.823 -0.000 0.000 0.641 171 V HN 0.660 nan 8.190 nan 0.000 0.445 172 K N -0.335 120.078 120.400 0.022 0.000 2.127 172 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 172 K C 1.903 178.543 176.600 0.068 0.000 1.047 172 K CA 1.846 58.158 56.287 0.042 0.000 0.927 172 K CB -0.398 32.124 32.500 0.036 0.000 0.716 172 K HN 0.533 nan 8.250 nan 0.000 0.450 173 D N 0.844 121.278 120.400 0.057 0.000 2.077 173 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 173 D C 1.785 178.178 176.300 0.155 0.000 0.986 173 D CA 1.196 55.261 54.000 0.108 0.000 0.829 173 D CB -0.060 40.751 40.800 0.019 0.000 0.983 173 D HN 0.164 nan 8.370 nan 0.000 0.453 174 K N 0.793 121.250 120.400 0.095 0.000 2.113 174 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 174 K C 2.036 178.757 176.600 0.202 0.000 1.047 174 K CA 1.076 57.454 56.287 0.151 0.000 0.928 174 K CB -0.099 32.447 32.500 0.076 0.000 0.716 174 K HN 0.310 nan 8.250 nan 0.000 0.446 175 E N 0.706 120.994 120.200 0.146 0.000 2.110 175 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 175 E C 1.902 178.633 176.600 0.218 0.000 0.988 175 E CA 1.209 57.702 56.400 0.156 0.000 0.804 175 E CB 0.003 29.761 29.700 0.097 0.000 0.745 175 E HN 0.397 nan 8.360 nan 0.000 0.458 176 E N 0.556 120.873 120.200 0.194 0.000 2.112 176 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 176 E C 1.551 178.285 176.600 0.223 0.000 0.979 176 E CA 0.732 57.240 56.400 0.181 0.000 0.814 176 E CB 0.122 29.901 29.700 0.132 0.000 0.762 176 E HN 0.132 nan 8.360 nan 0.000 0.460 177 D N -0.305 120.273 120.400 0.296 0.000 2.178 177 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 177 D C 1.658 178.247 176.300 0.483 0.000 0.980 177 D CA 1.044 55.264 54.000 0.367 0.000 0.842 177 D CB -0.155 41.010 40.800 0.607 0.000 0.948 177 D HN 0.205 nan 8.370 nan 0.000 0.472 178 H N 0.419 119.701 119.070 0.354 0.000 2.290 178 H HA -0.094 4.462 4.556 -0.000 0.000 0.298 178 H C 1.876 177.340 175.328 0.226 0.000 1.087 178 H CA 1.394 57.636 56.048 0.323 0.000 1.291 178 H CB -0.171 29.730 29.762 0.232 0.000 1.369 178 H HN -0.019 nan 8.280 nan 0.000 0.492 179 I N 0.130 120.784 120.570 0.140 0.000 2.151 179 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 179 I C 2.387 178.523 176.117 0.031 0.000 1.080 179 I CA 1.258 62.578 61.300 0.033 0.000 1.339 179 I CB -1.703 36.350 38.000 0.088 0.000 1.039 179 I HN 0.280 nan 8.210 nan 0.000 0.409 180 F N 1.870 121.778 119.950 -0.070 0.000 2.026 180 F HA -0.247 4.280 4.527 -0.000 0.000 0.296 180 F C 2.550 178.258 175.800 -0.152 0.000 1.133 180 F CA 1.548 59.463 58.000 -0.142 0.000 1.188 180 F CB -0.971 37.825 39.000 -0.340 0.000 0.968 180 F HN -0.088 nan 8.300 nan 0.000 0.476 181 F N 0.762 120.661 119.950 -0.085 0.000 2.120 181 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 181 F C 2.617 178.252 175.800 -0.275 0.000 1.095 181 F CA 1.868 59.736 58.000 -0.219 0.000 1.249 181 F CB -0.628 38.396 39.000 0.040 0.000 0.995 181 F HN 0.002 nan 8.300 nan 0.000 0.480 182 K N -0.443 119.816 120.400 -0.234 0.000 2.057 182 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 182 K C 2.197 178.637 176.600 -0.266 0.000 1.049 182 K CA 1.516 57.423 56.287 -0.634 0.000 0.931 182 K CB -0.550 31.363 32.500 -0.977 0.000 0.714 182 K HN 0.241 nan 8.250 nan 0.000 0.440 183 Y N 1.580 121.679 120.300 -0.334 0.000 2.145 183 Y HA -0.195 4.355 4.550 -0.000 0.000 0.286 183 Y C 1.811 177.548 175.900 -0.272 0.000 1.145 183 Y CA 1.135 59.072 58.100 -0.271 0.000 1.148 183 Y CB -0.272 38.051 38.460 -0.228 0.000 0.981 183 Y HN 0.043 nan 8.280 nan 0.000 0.507 184 I N -0.413 119.829 120.570 -0.548 0.000 2.208 184 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 184 I C 2.310 178.254 176.117 -0.288 0.000 1.097 184 I CA 1.592 62.549 61.300 -0.572 0.000 1.363 184 I CB -1.620 35.990 38.000 -0.650 0.000 1.051 184 I HN 0.305 nan 8.210 nan 0.000 0.413 185 Y N 2.395 122.532 120.300 -0.271 0.000 2.114 185 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 185 Y C 2.550 178.340 175.900 -0.183 0.000 1.143 185 Y CA 1.817 59.820 58.100 -0.163 0.000 1.135 185 Y CB -0.329 38.119 38.460 -0.020 0.000 0.980 185 Y HN 0.258 nan 8.280 nan 0.000 0.499 186 E N 0.077 120.150 120.200 -0.211 0.000 2.160 186 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 186 E C 2.288 178.699 176.600 -0.314 0.000 0.991 186 E CA 1.414 57.649 56.400 -0.275 0.000 0.810 186 E CB -0.379 29.251 29.700 -0.118 0.000 0.742 186 E HN 0.514 nan 8.360 nan 0.000 0.466 187 L N 0.692 121.717 121.223 -0.330 0.000 2.093 187 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 187 L C 2.459 179.168 176.870 -0.268 0.000 1.085 187 L CA 0.901 55.550 54.840 -0.319 0.000 0.755 187 L CB -0.257 41.536 42.059 -0.444 0.000 0.904 187 L HN 0.159 nan 8.230 nan 0.000 0.435 188 I N -0.584 119.806 120.570 -0.300 0.000 2.353 188 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 188 I C 2.354 178.235 176.117 -0.393 0.000 1.119 188 I CA 1.042 62.184 61.300 -0.264 0.000 1.417 188 I CB -0.148 37.718 38.000 -0.223 0.000 1.078 188 I HN 0.239 nan 8.210 nan 0.000 0.421 189 L N 0.675 121.558 121.223 -0.566 0.000 2.201 189 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 189 L C 2.587 179.343 176.870 -0.189 0.000 1.105 189 L CA 1.042 55.561 54.840 -0.535 0.000 0.775 189 L CB -0.448 41.242 42.059 -0.614 0.000 0.913 189 L HN 0.239 nan 8.230 nan 0.000 0.440 190 A N -0.985 121.713 122.820 -0.203 0.000 2.178 190 A HA 0.268 4.588 4.320 -0.000 0.000 0.211 190 A C 1.764 179.280 177.584 -0.114 0.000 1.157 190 A CA 0.841 52.791 52.037 -0.145 0.000 0.780 190 A CB -0.148 18.759 19.000 -0.153 0.000 0.828 190 A HN 0.502 nan 8.150 nan 0.000 0.476 191 G N -1.923 106.823 108.800 -0.089 0.000 2.176 191 G HA2 0.023 3.983 3.960 -0.000 0.000 0.232 191 G HA3 0.023 3.983 3.960 -0.000 0.000 0.232 191 G C 0.634 175.513 174.900 -0.034 0.000 0.986 191 G CA 0.171 45.247 45.100 -0.039 0.000 0.643 191 G HN 1.560 nan 8.290 nan 0.000 0.522 192 A N 1.195 123.972 122.820 -0.072 0.000 3.046 192 A HA 0.578 4.898 4.320 -0.000 0.000 0.259 192 A C 1.789 179.339 177.584 -0.057 0.000 1.843 192 A CA 0.493 52.488 52.037 -0.069 0.000 1.451 192 A CB -0.542 18.394 19.000 -0.108 0.000 1.025 192 A HN 0.429 nan 8.150 nan 0.000 0.625 193 I N 0.069 120.635 120.570 -0.007 0.000 2.394 193 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 193 I C 1.528 177.651 176.117 0.009 0.000 1.136 193 I CA 1.157 62.468 61.300 0.017 0.000 1.425 193 I CB -0.849 37.191 38.000 0.065 0.000 1.079 193 I HN 0.434 nan 8.210 nan 0.000 0.425 194 D N 0.874 121.278 120.400 0.006 0.000 2.123 194 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 194 D C 2.010 178.303 176.300 -0.011 0.000 0.976 194 D CA 0.944 54.948 54.000 0.007 0.000 0.831 194 D CB 0.080 40.887 40.800 0.012 0.000 0.974 194 D HN 0.284 nan 8.370 nan 0.000 0.469 195 E N 1.333 121.512 120.200 -0.035 0.000 2.110 195 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 195 E C 2.033 178.579 176.600 -0.090 0.000 0.988 195 E CA 1.026 57.395 56.400 -0.053 0.000 0.804 195 E CB -0.317 29.337 29.700 -0.077 0.000 0.745 195 E HN 0.212 nan 8.360 nan 0.000 0.458 196 A N 0.712 123.464 122.820 -0.114 0.000 1.865 196 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 196 A C 2.225 179.788 177.584 -0.034 0.000 1.191 196 A CA 1.486 53.444 52.037 -0.133 0.000 0.623 196 A CB -0.868 18.071 19.000 -0.103 0.000 0.826 196 A HN 0.216 nan 8.150 nan 0.000 0.444 197 L N -0.905 120.323 121.223 0.009 0.000 2.042 197 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 197 L C 2.688 179.585 176.870 0.044 0.000 1.076 197 L CA 1.925 56.791 54.840 0.044 0.000 0.749 197 L CB -0.613 41.472 42.059 0.044 0.000 0.893 197 L HN 0.625 nan 8.230 nan 0.000 0.432 198 E N 0.135 120.351 120.200 0.026 0.000 2.038 198 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 198 E C 2.170 178.801 176.600 0.052 0.000 1.000 198 E CA 1.315 57.735 56.400 0.032 0.000 0.803 198 E CB 0.082 29.796 29.700 0.023 0.000 0.750 198 E HN 0.331 nan 8.360 nan 0.000 0.448 199 E N 0.182 120.414 120.200 0.054 0.000 2.038 199 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 199 E C 1.999 178.717 176.600 0.197 0.000 1.000 199 E CA 1.098 57.572 56.400 0.122 0.000 0.803 199 E CB -0.386 29.358 29.700 0.074 0.000 0.750 199 E HN 0.375 nan 8.360 nan 0.000 0.448 200 A N 1.782 124.732 122.820 0.217 0.000 1.873 200 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 200 A C 2.132 179.761 177.584 0.073 0.000 1.193 200 A CA 2.121 54.304 52.037 0.244 0.000 0.629 200 A CB -0.493 18.643 19.000 0.226 0.000 0.826 200 A HN 0.161 nan 8.150 nan 0.000 0.447 201 K N -0.559 119.875 120.400 0.058 0.000 1.971 201 K HA -0.129 4.191 4.320 -0.000 0.000 0.221 201 K C 1.934 178.533 176.600 -0.002 0.000 1.050 201 K CA 1.754 58.053 56.287 0.020 0.000 0.967 201 K CB -0.621 31.894 32.500 0.025 0.000 0.733 201 K HN 0.490 nan 8.250 nan 0.000 0.445 202 L N 1.402 122.634 121.223 0.015 0.000 2.187 202 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 202 L C 2.317 179.177 176.870 -0.018 0.000 1.100 202 L CA 1.291 56.134 54.840 0.005 0.000 0.765 202 L CB -0.627 41.447 42.059 0.024 0.000 0.904 202 L HN 0.298 nan 8.230 nan 0.000 0.437 203 S N -2.236 113.445 115.700 -0.030 0.000 2.671 203 S HA -0.027 4.443 4.470 -0.000 0.000 0.220 203 S C 0.753 175.230 174.600 -0.205 0.000 0.951 203 S CA 0.302 58.441 58.200 -0.101 0.000 0.932 203 S CB -0.011 63.125 63.200 -0.106 0.000 0.777 203 S HN 0.492 nan 8.310 nan 0.000 0.508 204 D N 0.975 121.280 120.400 -0.159 0.000 3.090 204 D HA -0.150 4.490 4.640 -0.000 0.000 0.215 204 D C -0.843 175.307 176.300 -0.251 0.000 1.140 204 D CA 0.555 54.450 54.000 -0.175 0.000 0.937 204 D CB -2.084 38.618 40.800 -0.163 0.000 1.108 204 D HN 0.514 nan 8.370 nan 0.000 0.420 205 N N 0.649 119.175 118.700 -0.290 0.000 3.131 205 N HA 0.157 4.897 4.740 -0.000 0.000 0.312 205 N C 1.375 176.823 175.510 -0.103 0.000 1.433 205 N CA -0.292 52.578 53.050 -0.300 0.000 1.141 205 N CB 0.142 38.303 38.487 -0.542 0.000 1.431 205 N HN 0.269 nan 8.380 nan 0.000 0.523 206 I N 0.227 120.746 120.570 -0.085 0.000 2.194 206 I HA -0.292 3.878 4.170 -0.000 0.000 0.246 206 I C 2.250 178.375 176.117 0.013 0.000 1.093 206 I CA 1.409 62.694 61.300 -0.025 0.000 1.355 206 I CB -0.323 37.659 38.000 -0.031 0.000 1.046 206 I HN 0.192 nan 8.210 nan 0.000 0.413 207 S N 0.279 115.978 115.700 -0.003 0.000 2.353 207 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 207 S C 2.097 176.765 174.600 0.113 0.000 1.035 207 S CA 1.143 59.368 58.200 0.042 0.000 1.025 207 S CB -0.331 62.880 63.200 0.018 0.000 0.902 207 S HN 0.282 nan 8.310 nan 0.000 0.440 208 I N 1.338 121.999 120.570 0.152 0.000 2.335 208 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 208 I C 2.674 178.946 176.117 0.258 0.000 1.129 208 I CA 0.854 62.327 61.300 0.289 0.000 1.402 208 I CB -1.417 36.834 38.000 0.418 0.000 1.069 208 I HN 0.450 nan 8.210 nan 0.000 0.424 209 C N 1.000 120.407 119.300 0.178 0.000 2.413 209 C HA -0.222 4.238 4.460 -0.000 0.000 0.277 209 C C 3.017 178.090 174.990 0.139 0.000 1.228 209 C CA 0.919 60.026 59.018 0.148 0.000 1.731 209 C CB -0.799 26.997 27.740 0.094 0.000 2.042 209 C HN 0.424 nan 8.230 nan 0.000 0.468 210 M N 0.418 120.089 119.600 0.119 0.000 2.082 210 M HA -0.152 4.328 4.480 -0.000 0.000 0.258 210 M C 2.048 178.444 176.300 0.159 0.000 1.069 210 M CA 1.913 57.278 55.300 0.109 0.000 1.102 210 M CB -0.572 32.081 32.600 0.088 0.000 1.336 210 M HN 0.389 nan 8.290 nan 0.000 0.404 211 I N 0.519 121.218 120.570 0.216 0.000 2.194 211 I HA -0.315 3.854 4.170 -0.000 0.000 0.246 211 I C 2.280 178.625 176.117 0.381 0.000 1.093 211 I CA 1.692 63.183 61.300 0.319 0.000 1.355 211 I CB -0.925 37.261 38.000 0.310 0.000 1.046 211 I HN 0.393 nan 8.210 nan 0.000 0.413 212 L N -0.106 121.292 121.223 0.293 0.000 2.265 212 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 212 L C 2.591 179.548 176.870 0.145 0.000 1.117 212 L CA 0.779 55.770 54.840 0.251 0.000 0.782 212 L CB -0.530 41.646 42.059 0.194 0.000 0.914 212 L HN 0.363 nan 8.230 nan 0.000 0.441 213 C N -0.286 119.066 119.300 0.088 0.000 2.464 213 C HA 0.032 4.492 4.460 -0.000 0.000 0.278 213 C C 2.751 177.652 174.990 -0.149 0.000 1.375 213 C CA 0.526 59.543 59.018 -0.002 0.000 1.761 213 C CB -1.306 26.440 27.740 0.010 0.000 1.944 213 C HN 0.668 nan 8.230 nan 0.000 0.509 214 G N 0.638 109.268 108.800 -0.284 0.000 2.535 214 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 214 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 214 G C 1.394 175.529 174.900 -1.275 0.000 1.122 214 G CA 0.330 44.822 45.100 -1.015 0.000 0.769 214 G HN 0.567 nan 8.290 nan 0.000 0.549 215 I N -0.247 119.980 120.570 -0.571 0.000 2.315 215 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 215 I C 1.280 177.311 176.117 -0.143 0.000 1.125 215 I CA 0.793 61.948 61.300 -0.242 0.000 1.392 215 I CB -0.040 37.987 38.000 0.044 0.000 1.065 215 I HN 0.212 nan 8.210 nan 0.000 0.424 216 Q N 0.542 120.247 119.800 -0.159 0.000 2.243 216 Q HA 0.252 4.592 4.340 -0.000 0.000 0.252 216 Q C -0.207 175.689 176.000 -0.173 0.000 0.909 216 Q CA -0.337 55.388 55.803 -0.129 0.000 0.922 216 Q CB 1.436 30.126 28.738 -0.080 0.000 1.215 216 Q HN 0.036 nan 8.270 nan 0.000 0.427 217 E N 0.755 120.792 120.200 -0.271 0.000 2.392 217 E HA 0.035 4.385 4.350 -0.000 0.000 0.259 217 E C -1.437 175.118 176.600 -0.075 0.000 1.108 217 E CA -0.294 55.940 56.400 -0.277 0.000 0.916 217 E CB 0.471 29.996 29.700 -0.291 0.000 0.989 217 E HN 0.465 nan 8.360 nan 0.000 0.432 218 Y N 3.118 123.340 120.300 -0.130 0.000 2.442 218 Y HA 0.309 4.859 4.550 -0.000 0.000 0.330 218 Y C -0.843 174.975 175.900 -0.137 0.000 1.129 218 Y CA 0.233 58.263 58.100 -0.116 0.000 1.365 218 Y CB 0.268 38.692 38.460 -0.061 0.000 1.233 218 Y HN 0.384 nan 8.280 nan 0.000 0.529 219 L N 6.357 127.133 121.223 -0.745 0.000 2.410 219 L HA 0.375 4.715 4.340 -0.000 0.000 0.270 219 L C -1.025 175.272 176.870 -0.956 0.000 0.983 219 L CA -0.828 53.577 54.840 -0.726 0.000 0.822 219 L CB 1.837 43.454 42.059 -0.737 0.000 1.285 219 L HN 0.626 nan 8.230 nan 0.000 0.409 220 N N 3.893 122.216 118.700 -0.629 0.000 2.540 220 N HA 0.336 5.076 4.740 -0.000 0.000 0.275 220 N C -2.284 173.120 175.510 -0.176 0.000 1.053 220 N CA -1.987 50.808 53.050 -0.425 0.000 0.876 220 N CB 2.453 40.779 38.487 -0.268 0.000 1.284 220 N HN 0.123 nan 8.380 nan 0.000 0.518 221 P HA -0.226 nan 4.420 nan 0.000 0.219 221 P C 1.381 178.687 177.300 0.010 0.000 1.158 221 P CA 1.103 64.198 63.100 -0.009 0.000 0.895 221 P CB 0.502 32.221 31.700 0.031 0.000 0.792 222 V N -1.105 118.811 119.914 0.003 0.000 2.295 222 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 222 V C 2.327 178.447 176.094 0.043 0.000 1.049 222 V CA 1.773 64.086 62.300 0.022 0.000 1.024 222 V CB -0.876 30.957 31.823 0.017 0.000 0.648 222 V HN 0.078 nan 8.190 nan 0.000 0.447 223 I N -0.757 119.849 120.570 0.060 0.000 2.512 223 I HA 0.004 4.174 4.170 -0.000 0.000 0.247 223 I C 0.476 176.700 176.117 0.178 0.000 1.094 223 I CA 0.608 61.988 61.300 0.132 0.000 1.427 223 I CB -0.179 37.922 38.000 0.167 0.000 1.149 223 I HN 0.248 nan 8.210 nan 0.000 0.438 224 D N 1.985 122.442 120.400 0.096 0.000 2.551 224 D HA 0.030 4.670 4.640 -0.000 0.000 0.223 224 D C 1.106 177.433 176.300 0.044 0.000 1.144 224 D CA 0.227 54.261 54.000 0.058 0.000 1.025 224 D CB 0.891 41.684 40.800 -0.013 0.000 1.085 224 D HN 0.101 nan 8.370 nan 0.000 0.506 225 T N 1.800 116.398 114.554 0.075 0.000 2.665 225 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 225 T C 1.829 176.553 174.700 0.041 0.000 1.035 225 T CA 1.220 63.356 62.100 0.061 0.000 1.151 225 T CB 0.060 68.976 68.868 0.079 0.000 0.862 225 T HN 0.449 nan 8.240 nan 0.000 0.438 226 Q N 1.293 121.108 119.800 0.024 0.000 2.585 226 Q HA -0.117 4.223 4.340 -0.000 0.000 0.219 226 Q C 1.373 177.384 176.000 0.018 0.000 0.984 226 Q CA 0.923 56.730 55.803 0.006 0.000 0.915 226 Q CB -0.893 27.829 28.738 -0.026 0.000 0.967 226 Q HN 0.775 nan 8.270 nan 0.000 0.530 227 I N -5.900 114.699 120.570 0.049 0.000 4.219 227 I HA 0.450 4.620 4.170 -0.000 0.000 0.329 227 I C 1.250 177.446 176.117 0.132 0.000 1.427 227 I CA -0.165 61.193 61.300 0.097 0.000 1.151 227 I CB 0.110 38.218 38.000 0.180 0.000 1.369 227 I HN -0.106 nan 8.210 nan 0.000 0.521 228 A N 0.971 123.842 122.820 0.085 0.000 2.277 228 A HA -0.058 4.261 4.320 -0.000 0.000 0.208 228 A C 1.928 179.545 177.584 0.055 0.000 1.202 228 A CA 1.380 53.464 52.037 0.079 0.000 0.762 228 A CB -0.877 18.153 19.000 0.050 0.000 0.770 228 A HN 0.600 nan 8.150 nan 0.000 0.487 229 N N -0.262 118.458 118.700 0.034 0.000 2.349 229 N HA -0.054 4.686 4.740 -0.000 0.000 0.180 229 N C 1.507 176.976 175.510 -0.068 0.000 1.024 229 N CA 1.130 54.173 53.050 -0.012 0.000 0.869 229 N CB 0.046 38.522 38.487 -0.020 0.000 1.022 229 N HN 0.627 nan 8.380 nan 0.000 0.433 230 E N -0.912 119.215 120.200 -0.122 0.000 2.150 230 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 230 E C -0.183 176.036 176.600 -0.636 0.000 0.985 230 E CA 0.870 57.017 56.400 -0.422 0.000 0.814 230 E CB 0.161 29.508 29.700 -0.589 0.000 0.752 230 E HN 0.222 nan 8.360 nan 0.000 0.466 231 F N -0.336 119.595 119.950 -0.032 0.000 2.631 231 F HA 0.256 4.783 4.527 -0.000 0.000 0.328 231 F C 0.624 176.406 175.800 -0.030 0.000 1.067 231 F CA -1.120 56.859 58.000 -0.035 0.000 0.969 231 F CB 1.170 40.137 39.000 -0.054 0.000 1.332 231 F HN -0.198 nan 8.300 nan 0.000 0.490 232 N N -2.204 116.608 118.700 0.187 0.000 2.211 232 N HA 0.185 4.925 4.740 -0.000 0.000 0.216 232 N C -0.531 175.022 175.510 0.073 0.000 1.240 232 N CA 0.024 53.130 53.050 0.094 0.000 0.895 232 N CB 0.795 39.316 38.487 0.057 0.000 1.102 232 N HN 0.380 nan 8.380 nan 0.000 0.498 233 T N 1.678 116.284 114.554 0.087 0.000 2.861 233 T HA 0.256 4.606 4.350 -0.000 0.000 0.287 233 T C -0.833 173.844 174.700 -0.038 0.000 1.003 233 T CA -0.857 61.261 62.100 0.031 0.000 0.977 233 T CB 2.069 70.961 68.868 0.040 0.000 0.996 233 T HN 0.180 nan 8.240 nan 0.000 0.448 234 Q N 2.973 122.722 119.800 -0.085 0.000 2.414 234 Q HA 0.165 4.505 4.340 -0.000 0.000 0.288 234 Q C -0.618 175.270 176.000 -0.187 0.000 1.086 234 Q CA 0.150 55.822 55.803 -0.219 0.000 0.943 234 Q CB 0.934 29.603 28.738 -0.115 0.000 1.282 234 Q HN 0.812 nan 8.270 nan 0.000 0.438 235 Q N -0.439 119.165 119.800 -0.327 0.000 2.633 235 Q HA 0.519 4.859 4.340 -0.000 0.000 0.289 235 Q C -1.213 174.694 176.000 -0.155 0.000 0.940 235 Q CA 0.108 55.804 55.803 -0.179 0.000 0.785 235 Q CB 1.447 30.080 28.738 -0.175 0.000 1.467 235 Q HN 1.220 nan 8.270 nan 0.000 0.401 236 G N 0.631 109.410 108.800 -0.034 0.000 2.712 236 G HA2 0.044 4.004 3.960 -0.000 0.000 0.683 236 G HA3 0.044 4.004 3.960 -0.000 0.000 0.683 236 G C -1.296 173.683 174.900 0.131 0.000 1.320 236 G CA -0.343 44.758 45.100 0.001 0.000 0.847 236 G HN 1.168 nan 8.290 nan 0.000 0.553 237 I N -2.120 118.497 120.570 0.078 0.000 2.433 237 I HA 0.735 4.905 4.170 -0.000 0.000 0.292 237 I C 0.969 177.124 176.117 0.062 0.000 1.001 237 I CA -1.025 60.305 61.300 0.049 0.000 1.119 237 I CB 1.630 39.598 38.000 -0.053 0.000 1.289 237 I HN 0.676 nan 8.210 nan 0.000 0.438 238 K N 3.976 124.316 120.400 -0.100 0.000 2.002 238 K HA 0.023 4.343 4.320 -0.000 0.000 0.209 238 K C 0.393 176.983 176.600 -0.016 0.000 1.048 238 K CA 1.464 57.659 56.287 -0.154 0.000 0.930 238 K CB -0.177 32.111 32.500 -0.353 0.000 0.714 238 K HN 0.555 nan 8.250 nan 0.000 0.438 239 K N 1.712 122.114 120.400 0.002 0.000 3.216 239 K HA 0.007 4.327 4.320 -0.000 0.000 0.277 239 K C 0.774 177.448 176.600 0.124 0.000 1.246 239 K CA -0.015 56.300 56.287 0.047 0.000 1.227 239 K CB -0.081 32.434 32.500 0.025 0.000 1.487 239 K HN 0.279 nan 8.250 nan 0.000 0.341 240 H N 0.672 119.787 119.070 0.075 0.000 2.319 240 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 240 H C 1.428 176.886 175.328 0.216 0.000 1.092 240 H CA 1.806 57.953 56.048 0.165 0.000 1.302 240 H CB 0.588 30.411 29.762 0.103 0.000 1.373 240 H HN 0.259 nan 8.280 nan 0.000 0.497 241 S N 0.682 116.506 115.700 0.206 0.000 2.374 241 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 241 S C 2.205 176.844 174.600 0.064 0.000 1.037 241 S CA 1.182 59.454 58.200 0.121 0.000 1.024 241 S CB -0.452 62.792 63.200 0.073 0.000 0.861 241 S HN 0.253 nan 8.310 nan 0.000 0.456 242 L N 0.930 122.191 121.223 0.063 0.000 1.970 242 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 242 L C 1.953 178.829 176.870 0.011 0.000 1.071 242 L CA 1.975 56.833 54.840 0.030 0.000 0.751 242 L CB -1.255 40.827 42.059 0.037 0.000 0.889 242 L HN 0.518 nan 8.230 nan 0.000 0.432 243 W N 0.954 122.172 121.300 -0.136 0.000 2.290 243 W HA -0.337 4.323 4.660 -0.000 0.000 0.323 243 W C 2.941 179.353 176.519 -0.178 0.000 1.260 243 W CA 3.089 60.318 57.345 -0.193 0.000 1.266 243 W CB -0.461 28.793 29.460 -0.343 0.000 1.149 243 W HN 0.206 nan 8.180 nan 0.000 0.482 244 R N -0.090 120.279 120.500 -0.219 0.000 2.094 244 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 244 R C 2.339 178.481 176.300 -0.264 0.000 1.137 244 R CA 2.256 58.162 56.100 -0.323 0.000 0.943 244 R CB -0.428 29.855 30.300 -0.029 0.000 0.850 244 R HN 0.068 nan 8.270 nan 0.000 0.433 245 R N -0.444 119.983 120.500 -0.122 0.000 2.083 245 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 245 R C 2.351 178.591 176.300 -0.100 0.000 1.137 245 R CA 2.272 58.352 56.100 -0.034 0.000 0.951 245 R CB -0.822 29.471 30.300 -0.012 0.000 0.851 245 R HN 0.307 nan 8.270 nan 0.000 0.434 246 T N 0.210 114.651 114.554 -0.188 0.000 2.624 246 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 246 T C 1.897 176.393 174.700 -0.340 0.000 1.041 246 T CA 1.813 63.773 62.100 -0.233 0.000 1.159 246 T CB -0.454 68.273 68.868 -0.235 0.000 0.863 246 T HN -0.012 nan 8.240 nan 0.000 0.434 247 V N 0.377 119.973 119.914 -0.530 0.000 2.261 247 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 247 V C 2.053 177.955 176.094 -0.320 0.000 1.047 247 V CA 1.742 63.679 62.300 -0.605 0.000 1.015 247 V CB -0.820 30.468 31.823 -0.893 0.000 0.642 247 V HN 0.459 nan 8.190 nan 0.000 0.446 248 Y N 1.392 121.502 120.300 -0.317 0.000 2.081 248 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 248 Y C 2.982 178.801 175.900 -0.134 0.000 1.163 248 Y CA 1.880 59.874 58.100 -0.177 0.000 1.135 248 Y CB -0.884 37.487 38.460 -0.149 0.000 0.970 248 Y HN 0.249 nan 8.280 nan 0.000 0.498 249 S N -0.194 115.302 115.700 -0.340 0.000 2.365 249 S HA -0.223 4.247 4.470 -0.000 0.000 0.225 249 S C 2.138 176.554 174.600 -0.307 0.000 1.039 249 S CA 1.578 59.558 58.200 -0.367 0.000 1.033 249 S CB -0.955 62.128 63.200 -0.195 0.000 0.887 249 S HN 0.480 nan 8.310 nan 0.000 0.447 250 L N 2.423 123.487 121.223 -0.266 0.000 2.081 250 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 250 L C 2.586 179.398 176.870 -0.096 0.000 1.080 250 L CA 2.665 57.376 54.840 -0.216 0.000 0.754 250 L CB -1.328 40.503 42.059 -0.380 0.000 0.893 250 L HN 0.615 nan 8.230 nan 0.000 0.433 251 S N -1.730 113.923 115.700 -0.079 0.000 2.399 251 S HA -0.212 4.258 4.470 -0.000 0.000 0.231 251 S C 1.841 176.377 174.600 -0.106 0.000 1.022 251 S CA 1.050 59.271 58.200 0.035 0.000 0.983 251 S CB -0.522 62.703 63.200 0.041 0.000 0.803 251 S HN 0.621 nan 8.310 nan 0.000 0.480 252 Q N 0.966 120.619 119.800 -0.246 0.000 2.378 252 Q HA 0.182 4.522 4.340 -0.000 0.000 0.205 252 Q C 0.364 176.274 176.000 -0.149 0.000 0.954 252 Q CA 0.451 56.115 55.803 -0.233 0.000 0.901 252 Q CB -0.246 28.278 28.738 -0.357 0.000 0.981 252 Q HN 0.757 nan 8.270 nan 0.000 0.483 253 Q N 0.718 120.444 119.800 -0.123 0.000 2.300 253 Q HA 0.332 4.672 4.340 -0.000 0.000 0.262 253 Q C -0.387 175.574 176.000 -0.065 0.000 1.109 253 Q CA -0.405 55.347 55.803 -0.086 0.000 0.905 253 Q CB 0.754 29.448 28.738 -0.073 0.000 1.280 253 Q HN 0.129 nan 8.270 nan 0.000 0.426 254 A N 1.933 124.714 122.820 -0.066 0.000 2.386 254 A HA 0.541 4.861 4.320 -0.000 0.000 0.246 254 A C 1.222 178.779 177.584 -0.045 0.000 1.089 254 A CA 0.594 52.596 52.037 -0.058 0.000 0.790 254 A CB 0.082 19.047 19.000 -0.057 0.000 1.042 254 A HN 0.981 nan 8.150 nan 0.000 0.497 255 G N -1.169 107.608 108.800 -0.038 0.000 2.201 255 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.212 255 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.212 255 G C 0.001 174.896 174.900 -0.009 0.000 0.994 255 G CA 0.145 45.230 45.100 -0.026 0.000 0.644 255 G HN 0.686 nan 8.290 nan 0.000 0.508 256 L N 0.953 122.162 121.223 -0.024 0.000 2.352 256 L HA 0.484 4.824 4.340 -0.000 0.000 0.269 256 L C 0.287 177.121 176.870 -0.059 0.000 1.034 256 L CA -1.000 53.819 54.840 -0.034 0.000 0.806 256 L CB 1.199 43.224 42.059 -0.057 0.000 1.244 256 L HN 0.144 nan 8.230 nan 0.000 0.447 257 D N 1.677 122.032 120.400 -0.074 0.000 2.443 257 D HA 0.024 4.664 4.640 -0.000 0.000 0.239 257 D C -1.819 174.419 176.300 -0.102 0.000 1.136 257 D CA -1.178 52.819 54.000 -0.004 0.000 0.879 257 D CB 1.957 42.828 40.800 0.118 0.000 1.195 257 D HN 0.214 nan 8.370 nan 0.000 0.443 258 P HA -0.138 nan 4.420 nan 0.000 0.216 258 P C 0.805 177.864 177.300 -0.401 0.000 1.150 258 P CA 1.274 64.230 63.100 -0.240 0.000 0.843 258 P CB 0.008 31.552 31.700 -0.259 0.000 0.787 259 Y N -0.539 119.652 120.300 -0.183 0.000 2.314 259 Y HA -0.127 4.423 4.550 -0.000 0.000 0.293 259 Y C 2.655 178.320 175.900 -0.392 0.000 1.129 259 Y CA 1.103 59.013 58.100 -0.316 0.000 1.201 259 Y CB -0.329 38.025 38.460 -0.176 0.000 0.999 259 Y HN 0.026 nan 8.280 nan 0.000 0.541 260 E N 0.678 120.646 120.200 -0.386 0.000 2.028 260 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 260 E C 2.170 178.333 176.600 -0.728 0.000 0.988 260 E CA 1.203 57.118 56.400 -0.809 0.000 0.799 260 E CB -0.046 28.893 29.700 -1.268 0.000 0.755 260 E HN 0.322 nan 8.360 nan 0.000 0.447 261 R N 0.169 120.403 120.500 -0.445 0.000 2.105 261 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 261 R C 2.441 178.590 176.300 -0.251 0.000 1.135 261 R CA 1.116 57.053 56.100 -0.270 0.000 0.967 261 R CB -0.448 29.742 30.300 -0.183 0.000 0.861 261 R HN 0.251 nan 8.270 nan 0.000 0.442 262 A N 1.388 124.007 122.820 -0.335 0.000 1.933 262 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 262 A C 2.166 179.696 177.584 -0.090 0.000 1.175 262 A CA 1.142 52.990 52.037 -0.314 0.000 0.628 262 A CB -0.431 18.114 19.000 -0.758 0.000 0.814 262 A HN 0.171 nan 8.150 nan 0.000 0.444 263 I N -1.570 118.908 120.570 -0.154 0.000 2.142 263 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 263 I C 2.324 178.508 176.117 0.112 0.000 1.078 263 I CA 1.429 62.750 61.300 0.036 0.000 1.343 263 I CB -0.557 37.370 38.000 -0.122 0.000 1.046 263 I HN 0.378 nan 8.210 nan 0.000 0.405 264 Y N 0.861 121.208 120.300 0.079 0.000 2.274 264 Y HA -0.162 4.388 4.550 -0.000 0.000 0.290 264 Y C 2.934 178.864 175.900 0.051 0.000 1.145 264 Y CA 0.538 58.656 58.100 0.030 0.000 1.203 264 Y CB -1.359 37.069 38.460 -0.052 0.000 0.984 264 Y HN 0.096 nan 8.280 nan 0.000 0.533 265 S N -0.534 115.282 115.700 0.193 0.000 2.351 265 S HA -0.260 4.210 4.470 -0.000 0.000 0.220 265 S C 1.865 176.567 174.600 0.169 0.000 1.035 265 S CA 1.561 59.860 58.200 0.165 0.000 1.031 265 S CB -0.851 62.409 63.200 0.101 0.000 0.928 265 S HN 0.526 nan 8.310 nan 0.000 0.433 266 Y N 2.366 122.725 120.300 0.099 0.000 2.081 266 Y HA -0.188 4.362 4.550 -0.000 0.000 0.280 266 Y C 2.056 178.024 175.900 0.113 0.000 1.163 266 Y CA 1.523 59.673 58.100 0.084 0.000 1.135 266 Y CB -0.609 37.909 38.460 0.097 0.000 0.970 266 Y HN 0.154 nan 8.280 nan 0.000 0.498 267 L N -0.982 120.394 121.223 0.255 0.000 2.081 267 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 267 L C 2.298 179.208 176.870 0.067 0.000 1.080 267 L CA 1.785 56.757 54.840 0.219 0.000 0.754 267 L CB -0.793 41.468 42.059 0.337 0.000 0.893 267 L HN 0.185 nan 8.230 nan 0.000 0.433 268 S N -0.661 115.041 115.700 0.003 0.000 2.489 268 S HA 0.067 4.537 4.470 -0.000 0.000 0.228 268 S C 1.459 176.012 174.600 -0.080 0.000 0.995 268 S CA 0.791 58.957 58.200 -0.056 0.000 0.934 268 S CB 0.237 63.457 63.200 0.034 0.000 0.771 268 S HN 0.687 nan 8.310 nan 0.000 0.522 269 G N 1.010 109.747 108.800 -0.105 0.000 2.132 269 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.228 269 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.228 269 G C 0.033 174.847 174.900 -0.144 0.000 1.000 269 G CA 0.057 45.067 45.100 -0.150 0.000 0.693 269 G HN 0.820 nan 8.290 nan 0.000 0.515 270 A N -0.826 121.932 122.820 -0.103 0.000 2.284 270 A HA 0.907 5.227 4.320 -0.000 0.000 0.317 270 A C 0.201 177.755 177.584 -0.051 0.000 1.120 270 A CA -0.781 51.207 52.037 -0.083 0.000 0.900 270 A CB 0.951 19.952 19.000 0.002 0.000 1.319 270 A HN 0.696 nan 8.150 nan 0.000 0.494 271 I N 2.031 122.572 120.570 -0.048 0.000 2.331 271 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 271 I C -1.836 174.277 176.117 -0.007 0.000 0.998 271 I CA -1.907 59.350 61.300 -0.072 0.000 1.267 271 I CB 1.600 39.523 38.000 -0.128 0.000 1.386 271 I HN 0.496 nan 8.210 nan 0.000 0.476 272 P HA -0.027 nan 4.420 nan 0.000 0.269 272 P C -0.928 176.339 177.300 -0.056 0.000 1.211 272 P CA -0.214 62.877 63.100 -0.015 0.000 0.781 272 P CB 0.204 31.904 31.700 -0.000 0.000 0.877 273 N N 0.688 119.326 118.700 -0.103 0.000 2.307 273 N HA -0.097 4.643 4.740 -0.000 0.000 0.230 273 N C 1.201 176.633 175.510 -0.130 0.000 1.297 273 N CA -0.285 52.697 53.050 -0.112 0.000 0.884 273 N CB 0.152 38.553 38.487 -0.143 0.000 1.115 273 N HN 0.299 nan 8.380 nan 0.000 0.436 274 Q N 0.305 120.036 119.800 -0.115 0.000 2.045 274 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 274 Q C 1.460 177.341 176.000 -0.198 0.000 0.991 274 Q CA 1.813 57.540 55.803 -0.126 0.000 0.851 274 Q CB -0.543 28.135 28.738 -0.100 0.000 0.911 274 Q HN 0.857 nan 8.270 nan 0.000 0.418 275 E N -0.943 119.128 120.200 -0.215 0.000 2.130 275 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 275 E C 1.889 178.254 176.600 -0.392 0.000 0.998 275 E CA 1.456 57.690 56.400 -0.276 0.000 0.806 275 E CB 0.243 29.815 29.700 -0.213 0.000 0.738 275 E HN 0.158 nan 8.360 nan 0.000 0.459 276 V N 0.260 119.951 119.914 -0.372 0.000 2.492 276 V HA -0.139 3.981 4.120 -0.000 0.000 0.241 276 V C 2.068 178.061 176.094 -0.168 0.000 1.041 276 V CA 0.748 62.824 62.300 -0.375 0.000 1.057 276 V CB -0.176 31.292 31.823 -0.593 0.000 0.711 276 V HN 0.250 nan 8.190 nan 0.000 0.468 277 L N 1.084 122.226 121.223 -0.134 0.000 2.265 277 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 277 L C 2.498 179.349 176.870 -0.032 0.000 1.117 277 L CA 2.100 56.928 54.840 -0.020 0.000 0.782 277 L CB -0.805 41.248 42.059 -0.010 0.000 0.914 277 L HN 0.566 nan 8.230 nan 0.000 0.441 278 Q N -1.448 118.235 119.800 -0.195 0.000 2.291 278 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 278 Q C 1.103 177.018 176.000 -0.142 0.000 0.976 278 Q CA 1.838 57.493 55.803 -0.246 0.000 0.875 278 Q CB -0.418 28.045 28.738 -0.459 0.000 0.927 278 Q HN 0.704 nan 8.270 nan 0.000 0.450 279 Y N 1.124 121.488 120.300 0.106 0.000 2.458 279 Y HA 0.200 4.750 4.550 -0.000 0.000 0.256 279 Y C 0.701 176.695 175.900 0.157 0.000 1.159 279 Y CA -0.625 57.555 58.100 0.133 0.000 1.261 279 Y CB 0.793 39.343 38.460 0.150 0.000 1.119 279 Y HN 0.110 nan 8.280 nan 0.000 0.524 280 S N 0.767 116.635 115.700 0.281 0.000 2.562 280 S HA 0.180 4.650 4.470 -0.000 0.000 0.275 280 S C -0.383 174.362 174.600 0.242 0.000 1.281 280 S CA -1.002 57.339 58.200 0.235 0.000 1.045 280 S CB 1.283 64.601 63.200 0.197 0.000 0.962 280 S HN 0.298 nan 8.310 nan 0.000 0.503 281 D N 0.984 121.452 120.400 0.113 0.000 2.487 281 D HA 0.083 4.723 4.640 -0.000 0.000 0.262 281 D C 0.792 176.904 176.300 -0.314 0.000 1.130 281 D CA -0.952 53.017 54.000 -0.052 0.000 1.038 281 D CB 0.249 41.068 40.800 0.032 0.000 1.142 281 D HN 0.599 nan 8.370 nan 0.000 0.575 282 W N 0.902 121.790 121.300 -0.687 0.000 2.278 282 W HA -0.325 4.335 4.660 -0.000 0.000 0.339 282 W C 2.103 178.510 176.519 -0.187 0.000 1.348 282 W CA 2.787 59.845 57.345 -0.479 0.000 1.289 282 W CB -0.331 28.974 29.460 -0.258 0.000 1.124 282 W HN 0.535 nan 8.180 nan 0.000 0.469 283 E N -0.392 119.843 120.200 0.058 0.000 2.033 283 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 283 E C 2.346 178.890 176.600 -0.094 0.000 1.011 283 E CA 2.051 58.403 56.400 -0.080 0.000 0.815 283 E CB -1.278 28.394 29.700 -0.047 0.000 0.755 283 E HN 0.154 nan 8.360 nan 0.000 0.451 284 S N 0.139 115.824 115.700 -0.025 0.000 2.377 284 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 284 S C 1.810 176.441 174.600 0.051 0.000 1.042 284 S CA 1.706 59.928 58.200 0.036 0.000 1.086 284 S CB -0.555 62.681 63.200 0.060 0.000 0.995 284 S HN 0.340 nan 8.310 nan 0.000 0.428 285 D N 0.424 120.836 120.400 0.019 0.000 2.104 285 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 285 D C 2.065 178.417 176.300 0.086 0.000 0.994 285 D CA 1.189 55.253 54.000 0.107 0.000 0.830 285 D CB -0.269 40.609 40.800 0.130 0.000 0.959 285 D HN 0.344 nan 8.370 nan 0.000 0.452 286 L N 0.497 121.610 121.223 -0.183 0.000 2.083 286 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 286 L C 2.320 179.194 176.870 0.007 0.000 1.083 286 L CA 1.923 56.617 54.840 -0.244 0.000 0.752 286 L CB -1.006 40.652 42.059 -0.668 0.000 0.899 286 L HN 0.182 nan 8.230 nan 0.000 0.433 287 H N -0.712 118.306 119.070 -0.085 0.000 2.253 287 H HA -0.184 4.372 4.556 -0.000 0.000 0.296 287 H C 2.228 177.613 175.328 0.095 0.000 1.074 287 H CA 1.975 58.017 56.048 -0.010 0.000 1.263 287 H CB 0.153 29.888 29.762 -0.046 0.000 1.363 287 H HN 0.274 nan 8.280 nan 0.000 0.489 288 I N 0.993 121.634 120.570 0.119 0.000 2.091 288 I HA -0.357 3.812 4.170 -0.000 0.000 0.240 288 I C 2.332 178.451 176.117 0.003 0.000 1.046 288 I CA 1.941 63.267 61.300 0.043 0.000 1.306 288 I CB -1.553 36.452 38.000 0.007 0.000 1.018 288 I HN 0.499 nan 8.210 nan 0.000 0.404 289 H N 0.235 119.328 119.070 0.039 0.000 2.421 289 H HA -0.051 4.505 4.556 -0.000 0.000 0.298 289 H C 2.279 177.618 175.328 0.019 0.000 1.087 289 H CA 0.944 57.003 56.048 0.018 0.000 1.330 289 H CB -0.260 29.502 29.762 -0.000 0.000 1.388 289 H HN 0.282 nan 8.280 nan 0.000 0.526 290 L N -0.167 121.149 121.223 0.155 0.000 2.156 290 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 290 L C 2.259 179.186 176.870 0.095 0.000 1.095 290 L CA 0.829 55.734 54.840 0.108 0.000 0.770 290 L CB -0.269 41.850 42.059 0.100 0.000 0.914 290 L HN 0.294 nan 8.230 nan 0.000 0.439 291 N N 0.559 119.326 118.700 0.111 0.000 2.069 291 N HA -0.300 4.440 4.740 -0.000 0.000 0.191 291 N C 1.879 177.360 175.510 -0.048 0.000 1.031 291 N CA 1.824 54.890 53.050 0.027 0.000 0.852 291 N CB -0.082 38.335 38.487 -0.117 0.000 1.018 291 N HN 0.324 nan 8.380 nan 0.000 0.423 292 Q N -0.168 119.597 119.800 -0.060 0.000 2.084 292 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 292 Q C 1.982 177.959 176.000 -0.038 0.000 0.978 292 Q CA 1.578 57.338 55.803 -0.071 0.000 0.844 292 Q CB -0.124 28.564 28.738 -0.083 0.000 0.898 292 Q HN 0.470 nan 8.270 nan 0.000 0.426 293 I N 0.410 120.976 120.570 -0.007 0.000 2.163 293 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 293 I C 2.361 178.469 176.117 -0.014 0.000 1.085 293 I CA 0.796 62.088 61.300 -0.014 0.000 1.347 293 I CB -0.745 37.257 38.000 0.004 0.000 1.044 293 I HN 0.338 nan 8.210 nan 0.000 0.408 294 L N 0.915 122.140 121.223 0.003 0.000 1.955 294 L HA -0.283 4.057 4.340 -0.000 0.000 0.213 294 L C 2.702 179.563 176.870 -0.015 0.000 1.072 294 L CA 2.015 56.856 54.840 0.001 0.000 0.755 294 L CB -0.953 41.126 42.059 0.033 0.000 0.888 294 L HN 0.185 nan 8.230 nan 0.000 0.432 295 Q N -1.172 118.615 119.800 -0.023 0.000 2.082 295 Q HA -0.252 4.088 4.340 -0.000 0.000 0.211 295 Q C 2.044 178.038 176.000 -0.010 0.000 1.002 295 Q CA 3.132 58.924 55.803 -0.018 0.000 0.868 295 Q CB -0.614 28.096 28.738 -0.047 0.000 0.931 295 Q HN 0.618 nan 8.270 nan 0.000 0.414 296 T N 0.633 115.171 114.554 -0.027 0.000 2.643 296 T HA -0.156 4.194 4.350 -0.000 0.000 0.264 296 T C 1.513 176.211 174.700 -0.003 0.000 1.045 296 T CA 1.317 63.402 62.100 -0.024 0.000 1.155 296 T CB -0.366 68.476 68.868 -0.043 0.000 0.863 296 T HN 0.276 nan 8.240 nan 0.000 0.420 297 E N 0.776 120.972 120.200 -0.006 0.000 2.086 297 E HA -0.131 4.219 4.350 -0.000 0.000 0.200 297 E C 2.212 178.844 176.600 0.053 0.000 1.012 297 E CA 1.078 57.486 56.400 0.014 0.000 0.812 297 E CB -0.541 29.157 29.700 -0.003 0.000 0.743 297 E HN 0.426 nan 8.360 nan 0.000 0.453 298 I N 1.027 121.619 120.570 0.036 0.000 2.179 298 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 298 I C 2.495 178.677 176.117 0.108 0.000 1.088 298 I CA 1.368 62.711 61.300 0.072 0.000 1.357 298 I CB -0.489 37.525 38.000 0.024 0.000 1.051 298 I HN 0.133 nan 8.210 nan 0.000 0.409 299 E N 0.525 120.765 120.200 0.066 0.000 2.118 299 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 299 E C 1.998 178.624 176.600 0.044 0.000 0.992 299 E CA 1.372 57.805 56.400 0.055 0.000 0.804 299 E CB 0.003 29.727 29.700 0.040 0.000 0.741 299 E HN 0.448 nan 8.360 nan 0.000 0.458 300 N N -0.306 118.425 118.700 0.051 0.000 2.142 300 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 300 N C 1.659 177.203 175.510 0.057 0.000 1.023 300 N CA 1.068 54.144 53.050 0.042 0.000 0.852 300 N CB -0.506 38.008 38.487 0.046 0.000 0.998 300 N HN 0.290 nan 8.380 nan 0.000 0.424 301 Y N 2.003 122.302 120.300 -0.002 0.000 2.207 301 Y HA -0.108 4.442 4.550 -0.000 0.000 0.287 301 Y C 2.176 178.072 175.900 -0.005 0.000 1.156 301 Y CA 1.306 59.413 58.100 0.011 0.000 1.182 301 Y CB -0.409 38.068 38.460 0.027 0.000 0.979 301 Y HN -0.011 nan 8.280 nan 0.000 0.521 302 L N -1.007 120.177 121.223 -0.065 0.000 2.109 302 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 302 L C 2.404 179.150 176.870 -0.206 0.000 1.086 302 L CA 0.915 55.646 54.840 -0.182 0.000 0.760 302 L CB -0.563 41.460 42.059 -0.060 0.000 0.910 302 L HN 0.254 nan 8.230 nan 0.000 0.437 303 L N -0.360 120.791 121.223 -0.119 0.000 2.056 303 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 303 L C 2.473 179.263 176.870 -0.133 0.000 1.078 303 L CA 1.228 56.007 54.840 -0.103 0.000 0.749 303 L CB -0.366 41.661 42.059 -0.053 0.000 0.901 303 L HN 0.242 nan 8.230 nan 0.000 0.433 304 E N -0.088 120.026 120.200 -0.144 0.000 2.267 304 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 304 E C 0.904 177.379 176.600 -0.210 0.000 0.998 304 E CA 0.720 57.033 56.400 -0.146 0.000 0.830 304 E CB -0.019 29.610 29.700 -0.119 0.000 0.751 304 E HN 0.489 nan 8.360 nan 0.000 0.491 305 N N 1.079 119.587 118.700 -0.319 0.000 2.273 305 N HA 0.032 4.772 4.740 -0.000 0.000 0.231 305 N C -0.782 174.539 175.510 -0.314 0.000 1.134 305 N CA -0.049 52.796 53.050 -0.342 0.000 0.856 305 N CB 0.486 38.654 38.487 -0.533 0.000 1.068 305 N HN 0.067 nan 8.380 nan 0.000 0.510 306 N N 1.903 120.469 118.700 -0.223 0.000 2.650 306 N HA -0.170 4.570 4.740 -0.000 0.000 0.272 306 N C -0.096 175.272 175.510 -0.236 0.000 1.058 306 N CA 0.699 53.642 53.050 -0.177 0.000 0.765 306 N CB -0.339 38.074 38.487 -0.124 0.000 0.902 306 N HN 0.455 nan 8.380 nan 0.000 0.551 307 Q N -0.811 118.830 119.800 -0.265 0.000 2.103 307 Q HA 0.224 4.564 4.340 -0.000 0.000 0.219 307 Q C -0.277 175.628 176.000 -0.158 0.000 0.784 307 Q CA 0.134 55.764 55.803 -0.289 0.000 1.014 307 Q CB 1.389 29.823 28.738 -0.507 0.000 1.183 307 Q HN 0.230 nan 8.270 nan 0.000 0.469 308 V N 0.437 120.282 119.914 -0.116 0.000 2.448 308 V HA 0.690 4.810 4.120 -0.000 0.000 0.295 308 V C 0.257 176.321 176.094 -0.050 0.000 1.025 308 V CA -0.902 61.362 62.300 -0.059 0.000 0.859 308 V CB 1.762 33.558 31.823 -0.045 0.000 0.988 308 V HN 0.208 nan 8.190 nan 0.000 0.431 309 G N 1.352 110.133 108.800 -0.032 0.000 2.338 309 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 309 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 309 G C 0.950 175.838 174.900 -0.020 0.000 1.140 309 G CA 0.477 45.560 45.100 -0.028 0.000 0.860 309 G HN 0.740 nan 8.290 nan 0.000 0.470 310 T N 1.493 116.035 114.554 -0.020 0.000 2.685 310 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 310 T C 1.892 176.585 174.700 -0.011 0.000 1.034 310 T CA 2.324 64.415 62.100 -0.016 0.000 1.149 310 T CB -0.410 68.449 68.868 -0.016 0.000 0.860 310 T HN 0.562 nan 8.240 nan 0.000 0.449 311 D N 0.841 121.234 120.400 -0.011 0.000 2.172 311 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 311 D C 2.052 178.349 176.300 -0.006 0.000 0.999 311 D CA 1.375 55.370 54.000 -0.009 0.000 0.856 311 D CB -0.274 40.521 40.800 -0.009 0.000 0.934 311 D HN 0.670 nan 8.370 nan 0.000 0.453 312 E N 0.168 120.367 120.200 -0.002 0.000 2.268 312 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 312 E C 0.844 177.445 176.600 0.002 0.000 0.995 312 E CA 0.051 56.453 56.400 0.004 0.000 0.836 312 E CB 0.007 29.716 29.700 0.015 0.000 0.763 312 E HN 0.305 nan 8.360 nan 0.000 0.491 313 L N 2.306 123.528 121.223 -0.002 0.000 2.436 313 L HA -0.020 4.320 4.340 -0.000 0.000 0.244 313 L C 1.064 177.933 176.870 -0.003 0.000 1.396 313 L CA -0.538 54.300 54.840 -0.003 0.000 1.217 313 L CB -0.212 41.843 42.059 -0.006 0.000 1.420 313 L HN 0.128 nan 8.230 nan 0.000 0.434 314 I N 0.804 121.373 120.570 -0.002 0.000 2.252 314 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 314 I C 0.963 177.082 176.117 0.003 0.000 1.102 314 I CA 1.355 62.653 61.300 -0.003 0.000 1.385 314 I CB -0.370 37.625 38.000 -0.009 0.000 1.064 314 I HN 0.334 nan 8.210 nan 0.000 0.414 315 L N -0.143 121.088 121.223 0.013 0.000 2.403 315 L HA 0.427 4.767 4.340 -0.000 0.000 0.253 315 L C -2.559 174.325 176.870 0.025 0.000 1.045 315 L CA -1.596 53.263 54.840 0.032 0.000 0.845 315 L CB 2.189 44.292 42.059 0.075 0.000 1.447 315 L HN -0.156 nan 8.230 nan 0.000 0.411 316 P HA 0.411 nan 4.420 nan 0.000 0.296 316 P C -1.497 175.781 177.300 -0.036 0.000 1.306 316 P CA -0.276 62.825 63.100 0.002 0.000 0.818 316 P CB 1.495 33.200 31.700 0.009 0.000 0.969 317 L N 5.340 126.512 121.223 -0.085 0.000 2.362 317 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 317 L C -1.935 174.869 176.870 -0.110 0.000 0.998 317 L CA -2.310 52.421 54.840 -0.181 0.000 0.820 317 L CB 2.188 44.123 42.059 -0.206 0.000 1.270 317 L HN 0.277 nan 8.230 nan 0.000 0.415 318 P HA -0.040 nan 4.420 nan 0.000 0.257 318 P C 0.344 177.629 177.300 -0.024 0.000 1.162 318 P CA 0.189 63.263 63.100 -0.043 0.000 0.762 318 P CB 0.637 32.312 31.700 -0.041 0.000 0.753 319 S N 0.773 116.482 115.700 0.014 0.000 2.535 319 S HA -0.017 4.453 4.470 -0.000 0.000 0.214 319 S C 0.616 175.252 174.600 0.061 0.000 0.980 319 S CA -0.101 58.114 58.200 0.024 0.000 0.907 319 S CB -0.492 62.723 63.200 0.025 0.000 0.790 319 S HN 0.658 nan 8.310 nan 0.000 0.510 320 H N 1.962 121.026 119.070 -0.009 0.000 2.604 320 H HA 0.668 5.224 4.556 -0.000 0.000 0.306 320 H C -0.215 175.117 175.328 0.006 0.000 1.075 320 H CA -0.211 55.838 56.048 0.002 0.000 1.357 320 H CB 0.768 30.532 29.762 0.004 0.000 1.426 320 H HN 0.300 nan 8.280 nan 0.000 0.470 321 A N 6.628 129.118 122.820 -0.551 0.000 2.301 321 A HA 0.382 4.702 4.320 -0.000 0.000 0.298 321 A C -0.101 177.191 177.584 -0.486 0.000 1.185 321 A CA -0.754 51.050 52.037 -0.388 0.000 0.830 321 A CB 0.206 19.086 19.000 -0.200 0.000 1.112 321 A HN 0.795 nan 8.150 nan 0.000 0.508 322 L N 1.192 122.287 121.223 -0.213 0.000 2.456 322 L HA 0.326 4.666 4.340 -0.000 0.000 0.246 322 L C 1.311 178.142 176.870 -0.066 0.000 1.238 322 L CA -0.052 54.734 54.840 -0.091 0.000 0.826 322 L CB 0.402 42.468 42.059 0.012 0.000 1.150 322 L HN 0.892 nan 8.230 nan 0.000 0.514 323 T N -3.330 111.218 114.554 -0.010 0.000 2.940 323 T HA 0.343 4.693 4.350 -0.000 0.000 0.288 323 T C 0.975 175.685 174.700 0.016 0.000 1.033 323 T CA -0.902 61.200 62.100 0.003 0.000 1.033 323 T CB 1.733 70.613 68.868 0.019 0.000 1.079 323 T HN 0.205 nan 8.240 nan 0.000 0.496 324 V N 1.318 121.244 119.914 0.019 0.000 2.324 324 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 324 V C 2.941 179.051 176.094 0.028 0.000 1.060 324 V CA 2.417 64.730 62.300 0.023 0.000 1.042 324 V CB -1.198 30.641 31.823 0.026 0.000 0.650 324 V HN 1.011 nan 8.190 nan 0.000 0.450 325 Q N 0.581 120.401 119.800 0.033 0.000 1.967 325 Q HA -0.266 4.074 4.340 -0.000 0.000 0.210 325 Q C 2.244 178.266 176.000 0.037 0.000 1.005 325 Q CA 2.328 58.155 55.803 0.039 0.000 0.862 325 Q CB -0.533 28.228 28.738 0.038 0.000 0.939 325 Q HN 0.563 nan 8.270 nan 0.000 0.417 326 E N -0.671 119.549 120.200 0.035 0.000 2.160 326 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 326 E C 2.022 178.632 176.600 0.016 0.000 0.991 326 E CA 1.201 57.621 56.400 0.033 0.000 0.810 326 E CB -0.083 29.645 29.700 0.047 0.000 0.742 326 E HN 0.314 nan 8.360 nan 0.000 0.466 327 V N 1.180 121.099 119.914 0.008 0.000 2.270 327 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 327 V C 2.578 178.641 176.094 -0.053 0.000 1.043 327 V CA 1.259 63.541 62.300 -0.029 0.000 1.014 327 V CB -0.511 31.307 31.823 -0.010 0.000 0.645 327 V HN 0.205 nan 8.190 nan 0.000 0.447 328 L N 0.196 121.414 121.223 -0.008 0.000 2.012 328 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 328 L C 2.557 179.468 176.870 0.069 0.000 1.073 328 L CA 1.756 56.618 54.840 0.036 0.000 0.748 328 L CB -0.795 41.321 42.059 0.095 0.000 0.891 328 L HN 0.380 nan 8.230 nan 0.000 0.431 329 N N 0.135 118.868 118.700 0.055 0.000 2.061 329 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 329 N C 1.889 177.425 175.510 0.042 0.000 1.030 329 N CA 1.524 54.608 53.050 0.056 0.000 0.856 329 N CB -0.242 38.270 38.487 0.042 0.000 1.023 329 N HN 0.327 nan 8.380 nan 0.000 0.424 330 R N 0.045 120.546 120.500 0.002 0.000 2.073 330 R HA 0.055 4.394 4.340 -0.000 0.000 0.229 330 R C 2.166 178.446 176.300 -0.033 0.000 1.120 330 R CA 0.827 56.911 56.100 -0.027 0.000 0.967 330 R CB -0.524 29.736 30.300 -0.067 0.000 0.862 330 R HN 0.047 nan 8.270 nan 0.000 0.436 331 V N 1.677 121.546 119.914 -0.074 0.000 2.392 331 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 331 V C 2.501 178.713 176.094 0.198 0.000 1.059 331 V CA 1.891 64.175 62.300 -0.028 0.000 1.051 331 V CB -0.882 30.821 31.823 -0.200 0.000 0.658 331 V HN 0.384 nan 8.190 nan 0.000 0.455 332 A N 1.345 124.288 122.820 0.207 0.000 1.837 332 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 332 A C 2.518 180.217 177.584 0.192 0.000 1.210 332 A CA 2.745 54.947 52.037 0.276 0.000 0.632 332 A CB -1.298 17.820 19.000 0.197 0.000 0.843 332 A HN 0.734 nan 8.150 nan 0.000 0.448 333 S N -0.660 115.103 115.700 0.105 0.000 2.520 333 S HA -0.178 4.292 4.470 -0.000 0.000 0.249 333 S C 1.690 176.305 174.600 0.024 0.000 0.983 333 S CA 1.525 59.760 58.200 0.058 0.000 0.958 333 S CB -0.407 62.813 63.200 0.033 0.000 0.750 333 S HN 0.594 nan 8.310 nan 0.000 0.527 334 R N 0.292 120.806 120.500 0.024 0.000 2.254 334 R HA 0.145 4.485 4.340 -0.000 0.000 0.195 334 R C 0.263 176.342 176.300 -0.369 0.000 0.957 334 R CA 0.447 56.462 56.100 -0.141 0.000 1.024 334 R CB 0.196 30.420 30.300 -0.127 0.000 0.952 334 R HN 0.563 nan 8.270 nan 0.000 0.484 335 H N -0.478 118.671 119.070 0.132 0.000 2.901 335 H HA 0.156 4.712 4.556 -0.000 0.000 0.227 335 H C -2.097 173.304 175.328 0.121 0.000 1.390 335 H CA -1.434 54.706 56.048 0.154 0.000 1.120 335 H CB 1.346 31.267 29.762 0.264 0.000 2.131 335 H HN 0.142 nan 8.280 nan 0.000 0.549 336 P HA -0.322 nan 4.420 nan 0.000 0.219 336 P C 1.811 179.156 177.300 0.074 0.000 1.159 336 P CA 2.267 65.423 63.100 0.093 0.000 0.944 336 P CB 0.124 31.856 31.700 0.054 0.000 0.792 337 S N 1.052 116.795 115.700 0.071 0.000 2.414 337 S HA -0.292 4.178 4.470 -0.000 0.000 0.238 337 S C 1.933 176.553 174.600 0.034 0.000 1.055 337 S CA 2.071 60.302 58.200 0.052 0.000 1.174 337 S CB -1.825 61.413 63.200 0.063 0.000 1.087 337 S HN 0.335 nan 8.310 nan 0.000 0.428 338 E N 1.541 121.766 120.200 0.042 0.000 2.110 338 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 338 E C 2.432 178.882 176.600 -0.249 0.000 0.988 338 E CA 1.251 57.608 56.400 -0.071 0.000 0.804 338 E CB -0.389 29.291 29.700 -0.034 0.000 0.745 338 E HN 0.588 nan 8.360 nan 0.000 0.458 339 S N 1.348 116.958 115.700 -0.150 0.000 2.359 339 S HA -0.217 4.253 4.470 -0.000 0.000 0.224 339 S C 1.860 176.358 174.600 -0.171 0.000 1.035 339 S CA 1.382 59.456 58.200 -0.208 0.000 1.018 339 S CB -0.256 62.991 63.200 0.078 0.000 0.876 339 S HN 0.294 nan 8.310 nan 0.000 0.448 340 E N 0.357 120.518 120.200 -0.065 0.000 2.204 340 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 340 E C 0.784 177.363 176.600 -0.034 0.000 0.990 340 E CA 0.286 56.662 56.400 -0.040 0.000 0.821 340 E CB -0.178 29.512 29.700 -0.016 0.000 0.750 340 E HN 0.487 nan 8.360 nan 0.000 0.477 341 H N 1.322 120.296 119.070 -0.160 0.000 3.167 341 H HA -0.059 4.497 4.556 -0.000 0.000 0.306 341 H C -1.869 173.355 175.328 -0.172 0.000 0.965 341 H CA -1.082 54.872 56.048 -0.156 0.000 1.408 341 H CB 0.861 30.504 29.762 -0.198 0.000 1.406 341 H HN -0.134 nan 8.280 nan 0.000 0.576 342 P HA -0.283 nan 4.420 nan 0.000 0.219 342 P C 1.930 179.210 177.300 -0.034 0.000 1.159 342 P CA 2.276 65.326 63.100 -0.083 0.000 0.944 342 P CB 0.014 31.680 31.700 -0.057 0.000 0.792 343 I N -1.653 118.953 120.570 0.060 0.000 2.617 343 I HA -0.079 4.091 4.170 -0.000 0.000 0.256 343 I C 1.910 177.895 176.117 -0.221 0.000 1.167 343 I CA 1.632 62.793 61.300 -0.232 0.000 1.469 343 I CB -0.940 36.824 38.000 -0.393 0.000 1.098 343 I HN -0.091 nan 8.210 nan 0.000 0.436 344 R N 0.613 120.993 120.500 -0.200 0.000 2.148 344 R HA -0.019 4.321 4.340 -0.000 0.000 0.227 344 R C 2.238 178.369 176.300 -0.282 0.000 1.103 344 R CA 1.327 57.193 56.100 -0.390 0.000 0.983 344 R CB -0.001 29.880 30.300 -0.698 0.000 0.874 344 R HN 0.387 nan 8.270 nan 0.000 0.451 345 V N 0.868 120.679 119.914 -0.173 0.000 2.809 345 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 345 V C 2.060 178.119 176.094 -0.060 0.000 1.080 345 V CA 1.229 63.471 62.300 -0.096 0.000 1.102 345 V CB -0.297 31.482 31.823 -0.073 0.000 0.705 345 V HN 0.304 nan 8.190 nan 0.000 0.475 346 L N -1.163 119.993 121.223 -0.111 0.000 2.179 346 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 346 L C 2.490 179.440 176.870 0.133 0.000 1.096 346 L CA 1.184 55.977 54.840 -0.078 0.000 0.779 346 L CB -0.360 41.426 42.059 -0.455 0.000 0.922 346 L HN 0.285 nan 8.230 nan 0.000 0.443 347 M N -0.291 119.384 119.600 0.126 0.000 2.080 347 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 347 M C 2.563 178.927 176.300 0.107 0.000 1.068 347 M CA 2.058 57.441 55.300 0.139 0.000 1.109 347 M CB -0.602 32.102 32.600 0.172 0.000 1.342 347 M HN 0.296 nan 8.290 nan 0.000 0.405 348 A N -0.215 122.701 122.820 0.160 0.000 1.933 348 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 348 A C 2.303 179.946 177.584 0.099 0.000 1.175 348 A CA 2.121 54.270 52.037 0.187 0.000 0.628 348 A CB -0.801 18.336 19.000 0.227 0.000 0.814 348 A HN 0.459 nan 8.150 nan 0.000 0.444 349 S N -0.471 115.274 115.700 0.074 0.000 2.368 349 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 349 S C 1.886 176.515 174.600 0.049 0.000 1.030 349 S CA 1.469 59.703 58.200 0.057 0.000 0.999 349 S CB -0.440 62.790 63.200 0.049 0.000 0.844 349 S HN 0.355 nan 8.310 nan 0.000 0.459 350 V N 1.967 121.907 119.914 0.044 0.000 2.358 350 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 350 V C 2.075 178.150 176.094 -0.032 0.000 1.047 350 V CA 1.360 63.656 62.300 -0.006 0.000 1.035 350 V CB -0.586 31.185 31.823 -0.086 0.000 0.658 350 V HN 0.440 nan 8.190 nan 0.000 0.452 351 I N -0.321 120.228 120.570 -0.035 0.000 2.127 351 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 351 I C 2.112 178.236 176.117 0.010 0.000 1.075 351 I CA 1.807 63.090 61.300 -0.029 0.000 1.334 351 I CB -0.197 37.805 38.000 0.004 0.000 1.040 351 I HN 0.264 nan 8.210 nan 0.000 0.405 352 L N -0.245 120.997 121.223 0.032 0.000 2.552 352 L HA -0.099 4.241 4.340 -0.000 0.000 0.227 352 L C 1.208 178.098 176.870 0.035 0.000 1.146 352 L CA 0.416 55.278 54.840 0.038 0.000 0.858 352 L CB -0.318 41.769 42.059 0.046 0.000 0.969 352 L HN 0.385 nan 8.230 nan 0.000 0.451 353 D N -0.354 120.064 120.400 0.031 0.000 2.328 353 D HA -0.200 4.440 4.640 -0.000 0.000 0.167 353 D C 1.025 177.348 176.300 0.037 0.000 1.205 353 D CA 1.384 55.404 54.000 0.033 0.000 1.128 353 D CB -0.880 39.941 40.800 0.036 0.000 1.157 353 D HN 0.406 nan 8.370 nan 0.000 0.468 354 S N 0.746 116.468 115.700 0.036 0.000 3.988 354 S HA 0.157 4.627 4.470 -0.000 0.000 0.180 354 S C 1.331 175.955 174.600 0.041 0.000 1.242 354 S CA -0.092 58.129 58.200 0.035 0.000 0.947 354 S CB 0.297 63.516 63.200 0.031 0.000 1.519 354 S HN 0.325 nan 8.310 nan 0.000 0.439 355 L N 2.713 123.965 121.223 0.049 0.000 2.121 355 L HA 0.262 4.602 4.340 -0.000 0.000 0.200 355 L C -0.666 176.241 176.870 0.063 0.000 1.077 355 L CA 0.728 55.604 54.840 0.061 0.000 0.766 355 L CB -1.058 41.046 42.059 0.075 0.000 0.931 355 L HN 0.258 nan 8.230 nan 0.000 0.452 356 P HA -0.159 nan 4.420 nan 0.000 0.216 356 P C 1.531 178.877 177.300 0.076 0.000 1.150 356 P CA 1.754 64.898 63.100 0.074 0.000 0.843 356 P CB -0.048 31.693 31.700 0.069 0.000 0.787 357 S N -0.037 115.693 115.700 0.051 0.000 2.392 357 S HA -0.106 4.364 4.470 -0.000 0.000 0.232 357 S C 2.042 176.667 174.600 0.042 0.000 1.041 357 S CA 1.639 59.857 58.200 0.030 0.000 1.026 357 S CB -1.096 62.114 63.200 0.016 0.000 0.845 357 S HN 0.078 nan 8.310 nan 0.000 0.465 358 V N 1.302 121.243 119.914 0.046 0.000 3.174 358 V HA 0.048 4.168 4.120 -0.000 0.000 0.254 358 V C 2.034 178.155 176.094 0.045 0.000 1.120 358 V CA 0.401 62.722 62.300 0.036 0.000 1.114 358 V CB -0.524 31.309 31.823 0.017 0.000 0.756 358 V HN 0.376 nan 8.190 nan 0.000 0.467 359 I N 0.486 121.092 120.570 0.059 0.000 2.076 359 I HA -0.265 3.905 4.170 -0.000 0.000 0.237 359 I C 2.552 178.712 176.117 0.071 0.000 1.059 359 I CA 2.151 63.480 61.300 0.048 0.000 1.317 359 I CB -1.342 36.691 38.000 0.055 0.000 1.037 359 I HN 0.393 nan 8.210 nan 0.000 0.398 360 H N 0.760 119.830 119.070 0.001 0.000 2.431 360 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 360 H C 2.434 177.759 175.328 -0.005 0.000 1.115 360 H CA 1.920 57.968 56.048 0.000 0.000 1.277 360 H CB 0.117 29.883 29.762 0.006 0.000 1.372 360 H HN 0.287 nan 8.280 nan 0.000 0.516 361 S N -0.305 115.503 115.700 0.179 0.000 2.335 361 S HA -0.149 4.321 4.470 -0.000 0.000 0.216 361 S C 2.549 177.181 174.600 0.055 0.000 1.032 361 S CA 2.022 60.281 58.200 0.100 0.000 1.000 361 S CB -0.514 62.713 63.200 0.045 0.000 0.928 361 S HN 0.683 nan 8.310 nan 0.000 0.434 362 S N 0.715 116.427 115.700 0.020 0.000 2.442 362 S HA -0.031 4.439 4.470 -0.000 0.000 0.236 362 S C 1.829 176.417 174.600 -0.019 0.000 1.007 362 S CA 1.116 59.308 58.200 -0.014 0.000 0.965 362 S CB -0.850 62.328 63.200 -0.038 0.000 0.773 362 S HN 0.335 nan 8.310 nan 0.000 0.504 363 V N 2.281 122.186 119.914 -0.016 0.000 2.343 363 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 363 V C 2.555 178.630 176.094 -0.033 0.000 1.051 363 V CA 2.067 64.339 62.300 -0.046 0.000 1.036 363 V CB -0.586 31.171 31.823 -0.110 0.000 0.654 363 V HN 0.582 nan 8.190 nan 0.000 0.451 364 E N -1.029 119.173 120.200 0.003 0.000 2.418 364 E HA -0.060 4.290 4.350 -0.000 0.000 0.197 364 E C 1.856 178.458 176.600 0.003 0.000 1.026 364 E CA 0.385 56.795 56.400 0.017 0.000 0.862 364 E CB -0.048 29.691 29.700 0.066 0.000 0.799 364 E HN 0.453 nan 8.360 nan 0.000 0.518 365 M N 0.633 120.229 119.600 -0.007 0.000 2.691 365 M HA 0.032 4.512 4.480 -0.000 0.000 0.227 365 M C -0.029 176.255 176.300 -0.027 0.000 1.120 365 M CA 0.832 56.121 55.300 -0.019 0.000 1.034 365 M CB 0.159 32.741 32.600 -0.030 0.000 1.675 365 M HN 0.048 nan 8.290 nan 0.000 0.514 366 L N 0.738 121.947 121.223 -0.024 0.000 2.594 366 L HA 0.388 4.728 4.340 -0.000 0.000 0.245 366 L C -0.972 175.886 176.870 -0.019 0.000 1.460 366 L CA -0.212 54.613 54.840 -0.026 0.000 0.865 366 L CB 0.772 42.814 42.059 -0.030 0.000 1.131 366 L HN 0.104 nan 8.230 nan 0.000 0.506 379 I N -0.632 119.882 120.570 -0.094 0.000 2.480 379 I HA -0.006 4.164 4.170 -0.000 0.000 0.251 379 I C 1.545 177.575 176.117 -0.145 0.000 1.124 379 I CA 0.774 62.002 61.300 -0.121 0.000 1.444 379 I CB 0.217 38.159 38.000 -0.096 0.000 1.098 379 I HN -0.053 nan 8.210 nan 0.000 0.428 380 I N 1.480 121.983 120.570 -0.111 0.000 3.241 380 I HA -0.165 4.005 4.170 -0.000 0.000 0.280 380 I C 1.373 177.413 176.117 -0.127 0.000 1.320 380 I CA 0.530 61.766 61.300 -0.106 0.000 1.413 380 I CB -0.737 37.221 38.000 -0.070 0.000 1.060 380 I HN 0.280 nan 8.210 nan 0.000 0.500 381 D N 1.571 121.883 120.400 -0.147 0.000 2.183 381 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 381 D C 0.789 176.951 176.300 -0.229 0.000 0.962 381 D CA 0.960 54.869 54.000 -0.152 0.000 0.849 381 D CB 0.189 40.911 40.800 -0.130 0.000 0.978 381 D HN 0.327 nan 8.370 nan 0.000 0.488 382 K N 1.489 121.687 120.400 -0.336 0.000 2.281 382 K HA 0.197 4.517 4.320 -0.000 0.000 0.272 382 K C -1.836 174.327 176.600 -0.728 0.000 1.048 382 K CA -1.619 54.300 56.287 -0.614 0.000 0.898 382 K CB 2.249 34.300 32.500 -0.748 0.000 1.128 382 K HN -0.207 nan 8.250 nan 0.000 0.460 383 P HA -0.281 nan 4.420 nan 0.000 0.212 383 P C 1.060 178.104 177.300 -0.427 0.000 1.174 383 P CA 1.641 64.504 63.100 -0.396 0.000 0.934 383 P CB -0.125 31.414 31.700 -0.269 0.000 0.791 384 Y N -0.664 119.448 120.300 -0.313 0.000 2.102 384 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 384 Y C 2.254 177.961 175.900 -0.321 0.000 1.178 384 Y CA 0.692 58.542 58.100 -0.416 0.000 1.146 384 Y CB -1.993 36.123 38.460 -0.574 0.000 0.968 384 Y HN -0.145 nan 8.280 nan 0.000 0.504 385 L N 0.695 121.809 121.223 -0.182 0.000 1.976 385 L HA -0.246 4.094 4.340 -0.000 0.000 0.223 385 L C 2.372 179.154 176.870 -0.147 0.000 1.081 385 L CA 1.942 56.713 54.840 -0.114 0.000 0.784 385 L CB -1.375 40.565 42.059 -0.198 0.000 0.896 385 L HN 0.466 nan 8.230 nan 0.000 0.438 386 L N -0.293 120.829 121.223 -0.168 0.000 2.081 386 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 386 L C 2.737 179.509 176.870 -0.163 0.000 1.080 386 L CA 2.009 56.777 54.840 -0.121 0.000 0.754 386 L CB -0.891 41.126 42.059 -0.070 0.000 0.893 386 L HN 0.440 nan 8.230 nan 0.000 0.433 387 R N -0.193 120.187 120.500 -0.201 0.000 2.061 387 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 387 R C 2.344 178.620 176.300 -0.041 0.000 1.140 387 R CA 2.021 57.937 56.100 -0.307 0.000 0.940 387 R CB -0.491 29.625 30.300 -0.307 0.000 0.839 387 R HN 0.443 nan 8.270 nan 0.000 0.429 388 I N 1.162 121.716 120.570 -0.026 0.000 2.087 388 I HA -0.342 3.828 4.170 -0.000 0.000 0.240 388 I C 2.507 178.677 176.117 0.089 0.000 1.054 388 I CA 1.729 63.075 61.300 0.078 0.000 1.311 388 I CB -0.601 37.298 38.000 -0.169 0.000 1.024 388 I HN 0.042 nan 8.210 nan 0.000 0.402 389 V N 0.741 120.628 119.914 -0.045 0.000 2.317 389 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 389 V C 2.442 178.547 176.094 0.020 0.000 1.065 389 V CA 2.616 64.900 62.300 -0.028 0.000 1.049 389 V CB -1.453 30.332 31.823 -0.064 0.000 0.651 389 V HN 0.532 nan 8.190 nan 0.000 0.450 390 T N -0.553 113.982 114.554 -0.033 0.000 2.564 390 T HA -0.230 4.120 4.350 -0.000 0.000 0.259 390 T C 1.759 176.434 174.700 -0.040 0.000 1.087 390 T CA 2.123 64.163 62.100 -0.100 0.000 1.184 390 T CB -0.523 68.174 68.868 -0.284 0.000 0.864 390 T HN 0.616 nan 8.240 nan 0.000 0.403 391 H N 0.798 119.879 119.070 0.018 0.000 2.431 391 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 391 H C 2.046 177.538 175.328 0.273 0.000 1.115 391 H CA 1.221 57.334 56.048 0.109 0.000 1.277 391 H CB -0.502 29.173 29.762 -0.146 0.000 1.372 391 H HN 0.099 nan 8.280 nan 0.000 0.516 392 L N 0.534 122.050 121.223 0.488 0.000 2.005 392 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 392 L C 2.411 179.446 176.870 0.275 0.000 1.072 392 L CA 1.860 57.011 54.840 0.517 0.000 0.744 392 L CB -1.073 41.233 42.059 0.413 0.000 0.895 392 L HN 0.247 nan 8.230 nan 0.000 0.433 393 A N 0.009 122.918 122.820 0.149 0.000 1.908 393 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 393 A C 2.186 179.777 177.584 0.011 0.000 1.181 393 A CA 1.991 54.063 52.037 0.059 0.000 0.627 393 A CB -0.821 18.178 19.000 -0.002 0.000 0.818 393 A HN 0.485 nan 8.150 nan 0.000 0.445 394 I N -0.361 120.188 120.570 -0.035 0.000 2.099 394 I HA -0.302 3.868 4.170 -0.000 0.000 0.239 394 I C 2.752 178.876 176.117 0.011 0.000 1.066 394 I CA 1.324 62.546 61.300 -0.130 0.000 1.324 394 I CB -1.791 36.122 38.000 -0.145 0.000 1.037 394 I HN 0.398 nan 8.210 nan 0.000 0.401 395 C N 0.778 120.136 119.300 0.097 0.000 2.398 395 C HA -0.194 4.266 4.460 -0.000 0.000 0.276 395 C C 3.005 178.030 174.990 0.058 0.000 1.222 395 C CA 0.741 59.798 59.018 0.065 0.000 1.746 395 C CB -1.168 26.692 27.740 0.200 0.000 2.039 395 C HN 0.424 nan 8.230 nan 0.000 0.470 396 L N 0.236 121.524 121.223 0.108 0.000 1.971 396 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 396 L C 2.364 179.270 176.870 0.060 0.000 1.072 396 L CA 1.909 56.805 54.840 0.094 0.000 0.758 396 L CB -0.689 41.432 42.059 0.103 0.000 0.889 396 L HN 0.370 nan 8.230 nan 0.000 0.433 397 D N -0.424 120.010 120.400 0.056 0.000 2.310 397 D HA -0.104 4.536 4.640 -0.000 0.000 0.212 397 D C 2.199 178.544 176.300 0.074 0.000 0.965 397 D CA 0.980 55.019 54.000 0.065 0.000 0.879 397 D CB 0.155 40.999 40.800 0.075 0.000 0.921 397 D HN 0.390 nan 8.370 nan 0.000 0.510 398 I N 0.451 121.054 120.570 0.055 0.000 2.193 398 I HA -0.195 3.975 4.170 -0.000 0.000 0.240 398 I C 2.353 178.460 176.117 -0.017 0.000 1.084 398 I CA 0.742 62.068 61.300 0.044 0.000 1.365 398 I CB -0.037 37.921 38.000 -0.069 0.000 1.064 398 I HN -0.077 nan 8.210 nan 0.000 0.410 399 I N 0.057 120.579 120.570 -0.082 0.000 2.286 399 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 399 I C 0.676 176.769 176.117 -0.039 0.000 1.104 399 I CA 1.083 62.296 61.300 -0.144 0.000 1.397 399 I CB -0.198 37.691 38.000 -0.185 0.000 1.072 399 I HN 0.193 nan 8.210 nan 0.000 0.417 400 N N 1.071 119.778 118.700 0.012 0.000 2.918 400 N HA 0.272 5.012 4.740 -0.000 0.000 0.270 400 N C -2.563 172.971 175.510 0.040 0.000 1.536 400 N CA -1.718 51.352 53.050 0.033 0.000 0.877 400 N CB 0.812 39.330 38.487 0.051 0.000 1.190 400 N HN -0.109 nan 8.380 nan 0.000 0.492 401 P HA 0.058 nan 4.420 nan 0.000 0.256 401 P C 0.853 178.181 177.300 0.046 0.000 1.173 401 P CA 0.952 64.081 63.100 0.049 0.000 0.768 401 P CB 0.409 32.136 31.700 0.044 0.000 0.758 402 G N 2.058 110.889 108.800 0.052 0.000 2.284 402 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.201 402 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.201 402 G C 1.508 176.438 174.900 0.050 0.000 0.998 402 G CA 0.310 45.439 45.100 0.048 0.000 0.651 402 G HN 0.404 nan 8.290 nan 0.000 0.489 403 S N -0.211 115.520 115.700 0.052 0.000 2.456 403 S HA -0.078 4.392 4.470 -0.000 0.000 0.232 403 S C 1.421 176.056 174.600 0.059 0.000 1.046 403 S CA 1.729 59.962 58.200 0.056 0.000 1.175 403 S CB -0.462 62.774 63.200 0.061 0.000 1.129 403 S HN 1.157 nan 8.310 nan 0.000 0.420 404 V N 1.635 121.583 119.914 0.056 0.000 2.785 404 V HA 0.330 4.450 4.120 -0.000 0.000 0.300 404 V C 0.272 176.397 176.094 0.053 0.000 1.062 404 V CA -0.783 61.550 62.300 0.056 0.000 1.029 404 V CB 1.088 32.933 31.823 0.037 0.000 1.024 404 V HN 0.379 nan 8.190 nan 0.000 0.477 405 E N 1.695 121.933 120.200 0.062 0.000 2.366 405 E HA 0.025 4.375 4.350 -0.000 0.000 0.266 405 E C 0.872 177.488 176.600 0.027 0.000 1.015 405 E CA 0.011 56.445 56.400 0.056 0.000 0.906 405 E CB 0.541 30.292 29.700 0.086 0.000 0.979 405 E HN 0.734 nan 8.360 nan 0.000 0.443 406 E N 2.436 122.657 120.200 0.035 0.000 2.187 406 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 406 E C 1.748 178.358 176.600 0.016 0.000 1.004 406 E CA 1.277 57.698 56.400 0.035 0.000 0.813 406 E CB 0.061 29.788 29.700 0.046 0.000 0.736 406 E HN 0.438 nan 8.360 nan 0.000 0.468 407 V N 1.975 121.891 119.914 0.004 0.000 2.233 407 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 407 V C 1.860 177.922 176.094 -0.052 0.000 1.050 407 V CA 2.139 64.427 62.300 -0.020 0.000 1.010 407 V CB -0.473 31.331 31.823 -0.032 0.000 0.637 407 V HN 0.231 nan 8.190 nan 0.000 0.444 408 D N -0.053 120.293 120.400 -0.090 0.000 2.218 408 D HA -0.146 4.494 4.640 -0.000 0.000 0.204 408 D C 2.156 178.416 176.300 -0.066 0.000 0.976 408 D CA 1.110 55.040 54.000 -0.116 0.000 0.853 408 D CB -0.132 40.574 40.800 -0.158 0.000 0.939 408 D HN 0.535 nan 8.370 nan 0.000 0.481 409 K N 0.908 121.280 120.400 -0.045 0.000 1.985 409 K HA -0.089 4.231 4.320 -0.000 0.000 0.210 409 K C 2.409 178.989 176.600 -0.035 0.000 1.047 409 K CA 1.176 57.428 56.287 -0.058 0.000 0.932 409 K CB -0.226 32.241 32.500 -0.055 0.000 0.716 409 K HN -0.065 nan 8.250 nan 0.000 0.439 410 S N 1.755 117.452 115.700 -0.004 0.000 2.392 410 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 410 S C 1.809 176.414 174.600 0.008 0.000 1.041 410 S CA 1.561 59.772 58.200 0.019 0.000 1.100 410 S CB -0.397 62.817 63.200 0.023 0.000 1.029 410 S HN 0.262 nan 8.310 nan 0.000 0.424 411 K N 0.724 121.116 120.400 -0.014 0.000 2.144 411 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 411 K C 2.079 178.673 176.600 -0.010 0.000 1.047 411 K CA 1.400 57.674 56.287 -0.022 0.000 0.927 411 K CB -0.528 31.939 32.500 -0.054 0.000 0.716 411 K HN 0.333 nan 8.250 nan 0.000 0.454 412 L N 0.363 121.577 121.223 -0.014 0.000 2.022 412 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 412 L C 2.375 179.278 176.870 0.056 0.000 1.076 412 L CA 0.877 55.717 54.840 -0.000 0.000 0.749 412 L CB -0.415 41.625 42.059 -0.032 0.000 0.903 412 L HN 0.118 nan 8.230 nan 0.000 0.439 413 I N -0.447 120.158 120.570 0.057 0.000 2.185 413 I HA -0.355 3.815 4.170 -0.000 0.000 0.246 413 I C 2.485 178.672 176.117 0.116 0.000 1.088 413 I CA 1.582 62.964 61.300 0.137 0.000 1.347 413 I CB -0.999 37.074 38.000 0.121 0.000 1.041 413 I HN 0.338 nan 8.210 nan 0.000 0.415 414 T N 0.677 115.272 114.554 0.068 0.000 2.516 414 T HA -0.232 4.118 4.350 -0.000 0.000 0.261 414 T C 1.868 176.587 174.700 0.032 0.000 1.130 414 T CA 2.620 64.745 62.100 0.041 0.000 1.193 414 T CB -0.629 68.255 68.868 0.026 0.000 0.864 414 T HN 0.429 nan 8.240 nan 0.000 0.410 415 T N 0.499 115.077 114.554 0.041 0.000 2.897 415 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 415 T C 1.557 176.309 174.700 0.086 0.000 1.084 415 T CA 1.108 63.232 62.100 0.040 0.000 1.123 415 T CB -0.356 68.530 68.868 0.030 0.000 0.865 415 T HN 0.421 nan 8.240 nan 0.000 0.496 416 Y N 1.323 121.600 120.300 -0.039 0.000 2.231 416 Y HA 0.216 4.766 4.550 -0.000 0.000 0.294 416 Y C 1.945 177.783 175.900 -0.103 0.000 1.120 416 Y CA -0.223 57.849 58.100 -0.047 0.000 1.141 416 Y CB -0.528 37.914 38.460 -0.030 0.000 1.022 416 Y HN 0.124 nan 8.280 nan 0.000 0.523 417 I N 0.205 120.654 120.570 -0.201 0.000 2.248 417 I HA -0.360 3.810 4.170 -0.000 0.000 0.248 417 I C 2.525 178.476 176.117 -0.276 0.000 1.107 417 I CA 1.925 63.035 61.300 -0.318 0.000 1.373 417 I CB -0.634 37.290 38.000 -0.127 0.000 1.055 417 I HN 0.353 nan 8.210 nan 0.000 0.418 418 S N 0.695 116.301 115.700 -0.158 0.000 2.474 418 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 418 S C 1.802 176.296 174.600 -0.178 0.000 0.997 418 S CA 0.754 58.877 58.200 -0.129 0.000 0.949 418 S CB -0.440 62.724 63.200 -0.061 0.000 0.766 418 S HN 0.475 nan 8.310 nan 0.000 0.517 419 L N 0.102 121.197 121.223 -0.213 0.000 2.529 419 L HA 0.310 4.650 4.340 -0.000 0.000 0.223 419 L C 2.009 178.649 176.870 -0.383 0.000 1.113 419 L CA 0.219 54.937 54.840 -0.204 0.000 0.861 419 L CB -0.212 41.824 42.059 -0.039 0.000 1.012 419 L HN 0.319 nan 8.230 nan 0.000 0.461 420 L N -0.534 120.365 121.223 -0.539 0.000 2.313 420 L HA -0.117 4.223 4.340 -0.000 0.000 0.214 420 L C 2.333 178.798 176.870 -0.676 0.000 1.119 420 L CA 0.932 55.379 54.840 -0.654 0.000 0.809 420 L CB -0.194 41.455 42.059 -0.685 0.000 0.933 420 L HN 0.210 nan 8.230 nan 0.000 0.449 421 K N 0.225 120.253 120.400 -0.619 0.000 1.995 421 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 421 K C 1.990 178.278 176.600 -0.520 0.000 1.041 421 K CA 0.854 56.663 56.287 -0.796 0.000 0.942 421 K CB -0.278 32.013 32.500 -0.348 0.000 0.731 421 K HN 0.119 nan 8.250 nan 0.000 0.439 422 L N 1.422 122.465 121.223 -0.300 0.000 2.270 422 L HA -0.253 4.087 4.340 -0.000 0.000 0.217 422 L C 1.999 178.736 176.870 -0.223 0.000 1.107 422 L CA 1.272 55.998 54.840 -0.191 0.000 0.772 422 L CB -0.052 41.926 42.059 -0.134 0.000 0.902 422 L HN 0.358 nan 8.230 nan 0.000 0.439 423 Q N -0.776 118.816 119.800 -0.346 0.000 2.402 423 Q HA 0.083 4.423 4.340 -0.000 0.000 0.206 423 Q C 1.318 177.123 176.000 -0.326 0.000 0.919 423 Q CA 0.865 56.450 55.803 -0.364 0.000 0.923 423 Q CB 0.581 28.956 28.738 -0.606 0.000 1.048 423 Q HN 0.585 nan 8.270 nan 0.000 0.515 424 G N 1.145 109.701 108.800 -0.406 0.000 2.171 424 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.238 424 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.238 424 G C 0.058 174.802 174.900 -0.259 0.000 1.039 424 G CA 0.138 45.070 45.100 -0.280 0.000 0.759 424 G HN 0.315 nan 8.290 nan 0.000 0.501 425 L N 0.331 121.280 121.223 -0.456 0.000 2.999 425 L HA 0.331 4.671 4.340 -0.000 0.000 0.263 425 L C 1.384 178.122 176.870 -0.220 0.000 1.320 425 L CA -0.887 53.805 54.840 -0.248 0.000 0.913 425 L CB -0.062 41.843 42.059 -0.258 0.000 1.296 425 L HN 0.239 nan 8.230 nan 0.000 0.546 426 Y N -0.709 119.529 120.300 -0.103 0.000 2.483 426 Y HA -0.180 4.369 4.550 -0.000 0.000 0.291 426 Y C 2.075 177.950 175.900 -0.043 0.000 1.143 426 Y CA 0.362 58.412 58.100 -0.083 0.000 1.289 426 Y CB -0.518 37.904 38.460 -0.062 0.000 0.983 426 Y HN 0.390 nan 8.280 nan 0.000 0.556 427 E N 0.459 120.744 120.200 0.141 0.000 2.136 427 E HA -0.263 4.087 4.350 -0.000 0.000 0.208 427 E C 0.692 177.351 176.600 0.097 0.000 1.035 427 E CA 1.659 58.120 56.400 0.101 0.000 0.838 427 E CB -0.248 29.499 29.700 0.079 0.000 0.748 427 E HN 0.517 nan 8.360 nan 0.000 0.459 428 N N -0.038 118.718 118.700 0.094 0.000 2.282 428 N HA 0.155 4.895 4.740 -0.000 0.000 0.240 428 N C 1.004 176.622 175.510 0.179 0.000 1.182 428 N CA 0.007 53.146 53.050 0.149 0.000 0.874 428 N CB 0.562 39.176 38.487 0.212 0.000 1.126 428 N HN 0.156 nan 8.380 nan 0.000 0.516 429 I N 0.892 121.515 120.570 0.088 0.000 2.567 429 I HA -0.123 4.047 4.170 -0.000 0.000 0.257 429 I C -0.758 175.476 176.117 0.196 0.000 1.184 429 I CA 0.980 62.318 61.300 0.062 0.000 1.451 429 I CB -1.422 36.581 38.000 0.005 0.000 1.089 429 I HN -0.049 nan 8.210 nan 0.000 0.441 430 P HA -0.150 nan 4.420 nan 0.000 0.215 430 P C 1.815 179.238 177.300 0.205 0.000 1.153 430 P CA 1.276 64.472 63.100 0.161 0.000 0.853 430 P CB 0.033 31.801 31.700 0.114 0.000 0.788 431 I N -1.811 118.915 120.570 0.260 0.000 2.113 431 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 431 I C 2.151 178.427 176.117 0.266 0.000 1.064 431 I CA 1.682 63.114 61.300 0.219 0.000 1.320 431 I CB -1.714 36.418 38.000 0.220 0.000 1.028 431 I HN -0.016 nan 8.210 nan 0.000 0.406 432 Y N 0.383 120.840 120.300 0.262 0.000 2.352 432 Y HA -0.069 4.481 4.550 -0.000 0.000 0.292 432 Y C 2.456 178.602 175.900 0.410 0.000 1.136 432 Y CA 0.866 59.190 58.100 0.372 0.000 1.227 432 Y CB -1.113 37.494 38.460 0.245 0.000 0.991 432 Y HN 0.135 nan 8.280 nan 0.000 0.545 433 A N -0.628 122.425 122.820 0.387 0.000 2.067 433 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 433 A C 2.044 179.736 177.584 0.181 0.000 1.158 433 A CA 1.589 53.786 52.037 0.267 0.000 0.661 433 A CB -1.148 17.951 19.000 0.164 0.000 0.801 433 A HN 0.355 nan 8.150 nan 0.000 0.452 434 T N -0.132 114.428 114.554 0.010 0.000 3.263 434 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 434 T C 0.522 174.888 174.700 -0.557 0.000 1.207 434 T CA 1.238 63.144 62.100 -0.323 0.000 1.037 434 T CB -0.716 67.837 68.868 -0.524 0.000 0.864 434 T HN 0.551 nan 8.240 nan 0.000 0.587 435 F N -0.475 119.516 119.950 0.068 0.000 2.752 435 F HA 0.445 4.972 4.527 -0.000 0.000 0.310 435 F C 0.623 176.453 175.800 0.050 0.000 1.097 435 F CA -0.433 57.602 58.000 0.059 0.000 1.238 435 F CB 0.425 39.463 39.000 0.064 0.000 1.061 435 F HN 0.038 nan 8.300 nan 0.000 0.591 436 L N -0.858 120.491 121.223 0.210 0.000 2.327 436 L HA 0.418 4.758 4.340 -0.000 0.000 0.258 436 L C 0.397 177.321 176.870 0.090 0.000 1.024 436 L CA -0.739 54.187 54.840 0.143 0.000 0.825 436 L CB 1.550 43.696 42.059 0.145 0.000 1.386 436 L HN -0.306 nan 8.230 nan 0.000 0.417 437 N N -0.355 118.386 118.700 0.068 0.000 2.353 437 N HA -0.040 4.700 4.740 -0.000 0.000 0.185 437 N C 0.945 176.484 175.510 0.048 0.000 1.098 437 N CA 0.421 53.500 53.050 0.048 0.000 0.872 437 N CB 0.435 38.945 38.487 0.039 0.000 0.970 437 N HN 0.471 nan 8.380 nan 0.000 0.467 438 E N -0.672 119.564 120.200 0.060 0.000 2.511 438 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 438 E C 1.278 177.913 176.600 0.060 0.000 1.066 438 E CA 0.058 56.490 56.400 0.055 0.000 0.871 438 E CB 0.007 29.742 29.700 0.058 0.000 0.863 438 E HN 0.270 nan 8.360 nan 0.000 0.520 439 S N 1.343 117.084 115.700 0.068 0.000 2.402 439 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 439 S C 1.305 175.935 174.600 0.051 0.000 1.021 439 S CA 0.779 59.021 58.200 0.071 0.000 0.974 439 S CB -0.005 63.240 63.200 0.075 0.000 0.800 439 S HN 0.134 nan 8.310 nan 0.000 0.484 440 D N 0.592 121.017 120.400 0.040 0.000 2.389 440 D HA -0.055 4.585 4.640 -0.000 0.000 0.221 440 D C 0.735 177.051 176.300 0.027 0.000 0.974 440 D CA 0.631 54.649 54.000 0.030 0.000 0.923 440 D CB -0.307 40.508 40.800 0.025 0.000 0.892 440 D HN 0.441 nan 8.370 nan 0.000 0.518 441 C N 0.729 120.049 119.300 0.032 0.000 2.492 441 C HA 0.389 4.849 4.460 -0.000 0.000 0.317 441 C C 0.789 175.797 174.990 0.030 0.000 1.347 441 C CA -0.496 58.539 59.018 0.028 0.000 1.759 441 C CB -1.333 26.424 27.740 0.029 0.000 2.127 441 C HN 0.122 nan 8.230 nan 0.000 0.579 442 L N 0.000 121.243 121.223 0.033 0.000 2.949 442 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 442 L CA 0.000 54.862 54.840 0.036 0.000 0.813 442 L CB 0.000 42.089 42.059 0.050 0.000 0.961 442 L HN 0.000 nan 8.230 nan 0.000 0.502