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 1lrz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFTNLTAKE FGAFTDSMPY SHFTQTVGHY ELKLAEGYET HLVGIKNNNN DATA SEQUENCE EVIAACLLTA VPVMKVFKYF YSNRGPVIDY ENQELVHFFF NELSKYVKKH DATA SEQUENCE RCLYLHIDPY LPYQYLNHDG EITGNAGNDW FFDKMSNLGF EHTGFHKGFD DATA SEQUENCE PVLQIRYHSV LDLKDKTADD IIKNMDGLRK RNTKKVKKNG VKVRFLSEEE DATA SEQUENCE LPIFRSFMXX XXXXXXXXXX DDKFYYNRLK YYKDRVLVPL AYINFDEYIK DATA SEQUENCE ELNEERDILN KDLNKALKDI EKRPENKKAH NKRDNLQQQL DANEQKIEEG DATA SEQUENCE KRLQEEHGNE LPISAGFFFI NPFEVVYYAG GTSNAFRHFA GSYAVQWEMI DATA SEQUENCE NYALNHGIDR YNFYGVSGKF TEDAEDAGVV KFKKGYNAEI IEYVGDFIKP DATA SEQUENCE INKPVYAAYT AL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.216 55.300 -0.141 0.000 0.988 1 M CB 0.000 32.397 32.600 -0.339 0.000 1.302 2 K N 3.653 124.110 120.400 0.095 0.000 2.422 2 K HA 0.579 4.899 4.320 -0.000 0.000 0.251 2 K C -1.850 174.922 176.600 0.287 0.000 0.933 2 K CA -0.622 55.805 56.287 0.233 0.000 0.798 2 K CB 1.856 34.429 32.500 0.123 0.000 1.238 2 K HN 0.577 nan 8.250 nan 0.000 0.428 3 F N 2.359 122.419 119.950 0.183 0.000 2.412 3 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 3 F C 0.078 175.864 175.800 -0.022 0.000 1.102 3 F CA 0.889 58.889 58.000 0.000 0.000 1.196 3 F CB 1.472 40.351 39.000 -0.202 0.000 1.144 3 F HN 0.568 nan 8.300 nan 0.000 0.541 4 T N 4.464 118.769 114.554 -0.414 0.000 2.693 4 T HA 0.267 4.617 4.350 -0.000 0.000 0.304 4 T C -1.331 173.148 174.700 -0.368 0.000 1.471 4 T CA -0.976 60.997 62.100 -0.212 0.000 0.993 4 T CB 0.902 69.716 68.868 -0.090 0.000 1.554 4 T HN 0.580 nan 8.240 nan 0.000 0.496 5 N N 1.316 119.917 118.700 -0.164 0.000 2.515 5 N HA 0.555 5.295 4.740 -0.000 0.000 0.279 5 N C -0.759 174.657 175.510 -0.157 0.000 1.164 5 N CA -0.220 52.732 53.050 -0.162 0.000 0.982 5 N CB 0.931 39.405 38.487 -0.022 0.000 1.170 5 N HN 0.440 nan 8.380 nan 0.000 0.474 6 L N 0.452 121.572 121.223 -0.173 0.000 2.333 6 L HA 0.418 4.758 4.340 -0.000 0.000 0.269 6 L C 0.966 177.759 176.870 -0.127 0.000 1.010 6 L CA -0.951 53.812 54.840 -0.128 0.000 0.818 6 L CB 1.854 43.859 42.059 -0.090 0.000 1.306 6 L HN 0.549 nan 8.230 nan 0.000 0.430 7 T N -1.727 112.779 114.554 -0.079 0.000 2.849 7 T HA 0.355 4.705 4.350 -0.000 0.000 0.284 7 T C 1.137 175.787 174.700 -0.084 0.000 1.004 7 T CA -0.032 62.023 62.100 -0.074 0.000 1.021 7 T CB 1.611 70.461 68.868 -0.030 0.000 1.013 7 T HN 0.668 nan 8.240 nan 0.000 0.527 8 A N 1.084 123.839 122.820 -0.109 0.000 1.940 8 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 8 A C 2.345 179.957 177.584 0.046 0.000 1.176 8 A CA 1.927 53.906 52.037 -0.096 0.000 0.631 8 A CB -0.907 18.073 19.000 -0.034 0.000 0.814 8 A HN 0.989 nan 8.150 nan 0.000 0.446 9 K N -0.097 120.322 120.400 0.033 0.000 2.026 9 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 9 K C 1.900 178.526 176.600 0.043 0.000 1.048 9 K CA 1.713 58.023 56.287 0.038 0.000 0.929 9 K CB -0.223 32.291 32.500 0.023 0.000 0.713 9 K HN 0.643 nan 8.250 nan 0.000 0.439 10 E N -0.156 120.066 120.200 0.037 0.000 2.077 10 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 10 E C 1.917 178.566 176.600 0.082 0.000 0.989 10 E CA 1.310 57.732 56.400 0.037 0.000 0.800 10 E CB -0.275 29.427 29.700 0.003 0.000 0.746 10 E HN 0.291 nan 8.360 nan 0.000 0.452 11 F N 1.557 121.468 119.950 -0.064 0.000 2.046 11 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 11 F C 2.281 178.084 175.800 0.005 0.000 1.123 11 F CA 2.040 60.010 58.000 -0.049 0.000 1.199 11 F CB -0.811 38.101 39.000 -0.146 0.000 0.972 11 F HN -0.031 nan 8.300 nan 0.000 0.474 12 G N -0.448 108.357 108.800 0.008 0.000 2.440 12 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 12 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 12 G C 1.809 176.638 174.900 -0.119 0.000 1.154 12 G CA 0.981 46.021 45.100 -0.099 0.000 0.767 12 G HN 0.663 nan 8.290 nan 0.000 0.552 13 A N 0.304 123.099 122.820 -0.042 0.000 1.902 13 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 13 A C 2.184 179.748 177.584 -0.033 0.000 1.181 13 A CA 1.657 53.677 52.037 -0.027 0.000 0.623 13 A CB -0.544 18.463 19.000 0.011 0.000 0.818 13 A HN 0.410 nan 8.150 nan 0.000 0.443 14 F N 1.938 121.784 119.950 -0.173 0.000 2.084 14 F HA -0.163 4.364 4.527 -0.000 0.000 0.296 14 F C 2.760 178.416 175.800 -0.239 0.000 1.111 14 F CA 2.471 60.359 58.000 -0.187 0.000 1.224 14 F CB -0.824 38.062 39.000 -0.189 0.000 0.991 14 F HN 0.330 nan 8.300 nan 0.000 0.471 15 T N -2.448 111.842 114.554 -0.440 0.000 2.833 15 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 15 T C 1.612 176.070 174.700 -0.405 0.000 1.054 15 T CA 1.561 63.329 62.100 -0.553 0.000 1.135 15 T CB -0.721 67.781 68.868 -0.609 0.000 0.869 15 T HN 0.192 nan 8.240 nan 0.000 0.466 16 D N 1.781 122.008 120.400 -0.288 0.000 2.264 16 D HA -0.034 4.606 4.640 -0.000 0.000 0.208 16 D C 2.267 178.460 176.300 -0.178 0.000 0.966 16 D CA 1.384 55.276 54.000 -0.180 0.000 0.864 16 D CB -0.258 40.471 40.800 -0.118 0.000 0.933 16 D HN 0.695 nan 8.370 nan 0.000 0.499 17 S N -1.339 114.205 115.700 -0.261 0.000 2.556 17 S HA 0.132 4.602 4.470 -0.000 0.000 0.216 17 S C 0.743 175.169 174.600 -0.291 0.000 0.970 17 S CA -0.331 57.733 58.200 -0.226 0.000 0.912 17 S CB 0.302 63.387 63.200 -0.192 0.000 0.790 17 S HN -0.095 nan 8.310 nan 0.000 0.504 18 M N 2.921 122.273 119.600 -0.413 0.000 2.508 18 M HA 0.557 5.036 4.480 -0.000 0.000 0.327 18 M C -2.814 173.262 176.300 -0.372 0.000 1.160 18 M CA -2.511 52.539 55.300 -0.417 0.000 0.980 18 M CB 1.302 33.517 32.600 -0.642 0.000 1.693 18 M HN -0.044 nan 8.290 nan 0.000 0.452 19 P HA 0.139 nan 4.420 nan 0.000 0.276 19 P C -0.913 175.839 177.300 -0.914 0.000 1.244 19 P CA -0.065 62.655 63.100 -0.634 0.000 0.801 19 P CB 0.362 31.949 31.700 -0.188 0.000 1.006 20 Y N -1.315 117.723 120.300 -2.104 0.000 3.168 20 Y HA -0.208 4.342 4.550 -0.000 0.000 0.207 20 Y C 0.209 175.844 175.900 -0.441 0.000 1.280 20 Y CA 1.109 58.478 58.100 -1.219 0.000 1.235 20 Y CB -2.604 35.457 38.460 -0.666 0.000 1.370 20 Y HN 0.312 nan 8.280 nan 0.000 0.537 21 S N -0.776 114.723 115.700 -0.335 0.000 2.461 21 S HA 0.360 4.830 4.470 -0.000 0.000 0.322 21 S C -0.275 174.443 174.600 0.197 0.000 1.063 21 S CA -0.911 57.258 58.200 -0.053 0.000 1.120 21 S CB 1.178 64.253 63.200 -0.208 0.000 0.968 21 S HN 0.482 nan 8.310 nan 0.000 0.467 22 H N 2.470 121.616 119.070 0.126 0.000 2.757 22 H HA 0.074 4.630 4.556 -0.000 0.000 0.370 22 H C 0.917 176.134 175.328 -0.184 0.000 1.172 22 H CA 0.100 56.094 56.048 -0.089 0.000 1.426 22 H CB 0.378 29.851 29.762 -0.482 0.000 1.438 22 H HN 0.819 nan 8.280 nan 0.000 0.612 23 F N 0.754 120.371 119.950 -0.555 0.000 2.546 23 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 23 F C 1.982 177.425 175.800 -0.595 0.000 1.120 23 F CA 0.730 58.394 58.000 -0.561 0.000 1.456 23 F CB -0.675 37.919 39.000 -0.676 0.000 1.088 23 F HN 0.356 nan 8.300 nan 0.000 0.572 24 T N -3.595 110.434 114.554 -0.875 0.000 3.088 24 T HA 0.018 4.368 4.350 -0.000 0.000 0.259 24 T C 1.055 175.587 174.700 -0.280 0.000 1.122 24 T CA 0.176 61.786 62.100 -0.817 0.000 1.095 24 T CB -0.245 68.134 68.868 -0.816 0.000 0.930 24 T HN 0.254 nan 8.240 nan 0.000 0.508 25 Q N 2.967 122.697 119.800 -0.117 0.000 3.041 25 Q HA 0.287 4.627 4.340 -0.000 0.000 0.372 25 Q C 0.018 176.063 176.000 0.075 0.000 1.241 25 Q CA 0.008 55.879 55.803 0.113 0.000 1.010 25 Q CB 0.083 28.834 28.738 0.023 0.000 1.467 25 Q HN 0.786 nan 8.270 nan 0.000 0.462 26 T N -5.032 109.647 114.554 0.208 0.000 2.865 26 T HA 0.435 4.785 4.350 -0.000 0.000 0.294 26 T C 1.129 176.027 174.700 0.330 0.000 1.119 26 T CA -0.678 61.508 62.100 0.143 0.000 1.007 26 T CB 1.221 70.039 68.868 -0.084 0.000 1.225 26 T HN -0.115 nan 8.240 nan 0.000 0.515 27 V N 1.338 121.401 119.914 0.248 0.000 2.427 27 V HA 0.034 4.154 4.120 -0.000 0.000 0.248 27 V C 2.849 179.096 176.094 0.255 0.000 1.051 27 V CA 2.478 64.944 62.300 0.276 0.000 1.048 27 V CB -1.331 30.608 31.823 0.193 0.000 0.666 27 V HN 1.109 nan 8.190 nan 0.000 0.456 28 G N -1.327 107.567 108.800 0.158 0.000 2.422 28 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 28 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 28 G C 1.577 176.661 174.900 0.307 0.000 1.146 28 G CA 1.013 46.241 45.100 0.213 0.000 0.769 28 G HN 0.600 nan 8.290 nan 0.000 0.547 29 H N -1.198 117.946 119.070 0.125 0.000 2.428 29 H HA -0.096 4.460 4.556 -0.000 0.000 0.296 29 H C 2.160 177.553 175.328 0.109 0.000 1.062 29 H CA 1.306 57.471 56.048 0.195 0.000 1.350 29 H CB 0.050 29.861 29.762 0.081 0.000 1.403 29 H HN 0.394 nan 8.280 nan 0.000 0.533 30 Y N 2.146 122.460 120.300 0.023 0.000 2.128 30 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 30 Y C 2.274 178.093 175.900 -0.135 0.000 1.154 30 Y CA 2.033 60.079 58.100 -0.090 0.000 1.149 30 Y CB -0.274 38.138 38.460 -0.079 0.000 0.976 30 Y HN 0.248 nan 8.280 nan 0.000 0.505 31 E N -0.306 119.814 120.200 -0.134 0.000 2.150 31 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 31 E C 2.070 178.349 176.600 -0.534 0.000 0.985 31 E CA 1.092 57.328 56.400 -0.275 0.000 0.814 31 E CB -0.338 29.390 29.700 0.047 0.000 0.752 31 E HN 0.439 nan 8.360 nan 0.000 0.466 32 L N 1.800 122.716 121.223 -0.511 0.000 1.994 32 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 32 L C 1.936 178.459 176.870 -0.579 0.000 1.071 32 L CA 1.889 56.260 54.840 -0.782 0.000 0.745 32 L CB -0.263 41.559 42.059 -0.395 0.000 0.892 32 L HN -0.154 nan 8.230 nan 0.000 0.431 33 K N -0.208 119.900 120.400 -0.486 0.000 2.063 33 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 33 K C 2.249 178.742 176.600 -0.179 0.000 1.048 33 K CA 1.666 57.756 56.287 -0.329 0.000 0.928 33 K CB -0.728 31.527 32.500 -0.407 0.000 0.713 33 K HN 0.404 nan 8.250 nan 0.000 0.442 34 L N 0.402 121.416 121.223 -0.349 0.000 2.017 34 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 34 L C 2.536 179.266 176.870 -0.234 0.000 1.073 34 L CA 1.286 55.938 54.840 -0.314 0.000 0.745 34 L CB -0.597 41.176 42.059 -0.477 0.000 0.894 34 L HN 0.118 nan 8.230 nan 0.000 0.432 35 A N -0.223 122.399 122.820 -0.330 0.000 1.933 35 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 35 A C 1.961 179.460 177.584 -0.141 0.000 1.175 35 A CA 1.494 53.377 52.037 -0.257 0.000 0.628 35 A CB -0.407 18.279 19.000 -0.523 0.000 0.814 35 A HN 0.486 nan 8.150 nan 0.000 0.444 36 E N -1.306 118.824 120.200 -0.117 0.000 2.494 36 E HA 0.252 4.602 4.350 -0.000 0.000 0.193 36 E C 1.024 177.582 176.600 -0.070 0.000 1.074 36 E CA 0.231 56.626 56.400 -0.009 0.000 0.867 36 E CB -0.206 29.582 29.700 0.147 0.000 0.924 36 E HN 0.756 nan 8.360 nan 0.000 0.502 37 G N 0.964 109.714 108.800 -0.083 0.000 2.143 37 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.249 37 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.249 37 G C -0.212 174.583 174.900 -0.174 0.000 0.981 37 G CA -0.125 44.894 45.100 -0.136 0.000 0.665 37 G HN 0.246 nan 8.290 nan 0.000 0.528 38 Y N 0.625 120.856 120.300 -0.114 0.000 2.304 38 Y HA 0.443 4.993 4.550 -0.000 0.000 0.327 38 Y C 1.014 176.848 175.900 -0.110 0.000 1.209 38 Y CA -0.213 57.828 58.100 -0.097 0.000 1.299 38 Y CB 0.721 39.124 38.460 -0.095 0.000 1.249 38 Y HN 0.267 nan 8.280 nan 0.000 0.519 39 E N 1.737 121.971 120.200 0.058 0.000 2.299 39 E HA 0.161 4.511 4.350 -0.000 0.000 0.272 39 E C -1.087 175.545 176.600 0.054 0.000 1.043 39 E CA -0.065 56.339 56.400 0.007 0.000 0.895 39 E CB 0.391 30.093 29.700 0.003 0.000 1.011 39 E HN 0.625 nan 8.360 nan 0.000 0.432 40 T N 4.552 119.110 114.554 0.007 0.000 2.848 40 T HA 0.365 4.715 4.350 -0.000 0.000 0.285 40 T C -1.272 173.484 174.700 0.094 0.000 0.995 40 T CA -0.766 61.389 62.100 0.092 0.000 0.970 40 T CB 0.868 69.740 68.868 0.007 0.000 0.976 40 T HN 0.420 nan 8.240 nan 0.000 0.441 41 H N 1.074 120.181 119.070 0.063 0.000 2.572 41 H HA 0.637 5.193 4.556 -0.000 0.000 0.359 41 H C -0.691 174.561 175.328 -0.126 0.000 1.134 41 H CA -0.922 55.150 56.048 0.039 0.000 1.187 41 H CB 1.229 31.079 29.762 0.146 0.000 1.597 41 H HN 0.347 nan 8.280 nan 0.000 0.524 42 L N 3.361 124.502 121.223 -0.137 0.000 2.345 42 L HA 0.493 4.833 4.340 -0.000 0.000 0.274 42 L C -0.470 176.221 176.870 -0.298 0.000 0.999 42 L CA -0.991 53.603 54.840 -0.409 0.000 0.849 42 L CB 0.903 42.558 42.059 -0.674 0.000 1.220 42 L HN 0.408 nan 8.230 nan 0.000 0.422 43 V N -0.064 119.667 119.914 -0.304 0.000 3.103 43 V HA 1.119 5.239 4.120 -0.000 0.000 0.318 43 V C 0.060 175.915 176.094 -0.399 0.000 1.114 43 V CA -0.248 61.757 62.300 -0.493 0.000 1.020 43 V CB 1.792 33.181 31.823 -0.723 0.000 1.085 43 V HN 0.758 nan 8.190 nan 0.000 0.446 44 G N 0.560 108.953 108.800 -0.678 0.000 2.427 44 G HA2 0.581 4.541 3.960 -0.000 0.000 0.306 44 G HA3 0.581 4.541 3.960 -0.000 0.000 0.306 44 G C -1.971 172.646 174.900 -0.471 0.000 1.280 44 G CA -0.648 44.220 45.100 -0.386 0.000 0.837 44 G HN 0.899 nan 8.290 nan 0.000 0.482 45 I N 0.296 120.736 120.570 -0.217 0.000 2.545 45 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 45 I C -0.398 175.633 176.117 -0.143 0.000 1.040 45 I CA -0.746 60.510 61.300 -0.072 0.000 1.068 45 I CB 2.545 40.639 38.000 0.157 0.000 1.251 45 I HN 0.228 nan 8.210 nan 0.000 0.424 46 K N 3.819 124.167 120.400 -0.087 0.000 2.318 46 K HA 0.433 4.753 4.320 -0.000 0.000 0.249 46 K C -0.801 175.759 176.600 -0.066 0.000 0.942 46 K CA -0.882 55.343 56.287 -0.104 0.000 0.808 46 K CB 1.982 34.428 32.500 -0.089 0.000 1.189 46 K HN 0.620 nan 8.250 nan 0.000 0.428 47 N N 0.344 119.000 118.700 -0.074 0.000 2.514 47 N HA 0.099 4.839 4.740 -0.000 0.000 0.299 47 N C 0.433 175.914 175.510 -0.049 0.000 1.292 47 N CA -0.340 52.672 53.050 -0.063 0.000 0.963 47 N CB 0.010 38.461 38.487 -0.061 0.000 1.124 47 N HN 0.360 nan 8.380 nan 0.000 0.580 48 N N -0.313 118.360 118.700 -0.045 0.000 2.223 48 N HA -0.098 4.642 4.740 -0.000 0.000 0.185 48 N C 0.002 175.495 175.510 -0.029 0.000 1.016 48 N CA 0.876 53.906 53.050 -0.035 0.000 0.863 48 N CB -0.486 37.981 38.487 -0.033 0.000 0.983 48 N HN 0.531 nan 8.380 nan 0.000 0.429 49 N N 1.760 120.442 118.700 -0.030 0.000 2.362 49 N HA 0.024 4.764 4.740 -0.000 0.000 0.204 49 N C -0.280 175.214 175.510 -0.028 0.000 1.166 49 N CA 0.012 53.047 53.050 -0.025 0.000 0.831 49 N CB -0.103 38.371 38.487 -0.022 0.000 1.008 49 N HN 0.143 nan 8.380 nan 0.000 0.472 50 N N 0.783 119.463 118.700 -0.034 0.000 2.741 50 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 50 N C -0.811 174.669 175.510 -0.050 0.000 1.112 50 N CA 0.837 53.863 53.050 -0.039 0.000 0.750 50 N CB -1.236 37.234 38.487 -0.029 0.000 1.119 50 N HN 0.564 nan 8.380 nan 0.000 0.561 51 E N 0.395 120.562 120.200 -0.055 0.000 2.227 51 E HA 0.352 4.702 4.350 -0.000 0.000 0.282 51 E C 0.130 176.654 176.600 -0.126 0.000 1.015 51 E CA -0.604 55.758 56.400 -0.063 0.000 0.823 51 E CB 1.633 31.309 29.700 -0.039 0.000 1.081 51 E HN -0.069 nan 8.360 nan 0.000 0.396 52 V N 5.074 124.879 119.914 -0.182 0.000 2.521 52 V HA -0.005 4.115 4.120 -0.000 0.000 0.286 52 V C 1.018 176.746 176.094 -0.610 0.000 1.034 52 V CA 0.551 62.606 62.300 -0.409 0.000 1.045 52 V CB 0.115 31.636 31.823 -0.502 0.000 0.974 52 V HN 0.644 nan 8.190 nan 0.000 0.480 53 I N 1.969 122.185 120.570 -0.591 0.000 4.147 53 I HA 0.809 4.979 4.170 -0.000 0.000 0.329 53 I C 0.325 176.162 176.117 -0.467 0.000 1.424 53 I CA -0.114 60.932 61.300 -0.423 0.000 1.127 53 I CB 0.526 38.442 38.000 -0.140 0.000 1.128 53 I HN 0.537 nan 8.210 nan 0.000 0.417 54 A N 1.161 123.501 122.820 -0.799 0.000 2.590 54 A HA 0.880 5.200 4.320 -0.000 0.000 0.296 54 A C -1.350 175.989 177.584 -0.410 0.000 1.050 54 A CA 0.047 51.819 52.037 -0.443 0.000 0.697 54 A CB 1.017 19.871 19.000 -0.243 0.000 1.277 54 A HN 0.672 nan 8.150 nan 0.000 0.411 55 A N -0.255 122.469 122.820 -0.160 0.000 2.606 55 A HA 0.895 5.215 4.320 -0.000 0.000 0.293 55 A C -1.010 176.651 177.584 0.128 0.000 1.082 55 A CA -0.043 52.018 52.037 0.040 0.000 0.685 55 A CB 1.181 20.296 19.000 0.191 0.000 1.284 55 A HN 2.531 nan 8.150 nan 0.000 0.408 56 C N 1.294 120.757 119.300 0.271 0.000 3.046 56 C HA 0.595 5.055 4.460 -0.000 0.000 0.388 56 C C -1.383 173.662 174.990 0.091 0.000 1.041 56 C CA -0.504 58.650 59.018 0.227 0.000 1.241 56 C CB 0.386 28.245 27.740 0.198 0.000 1.638 56 C HN 1.198 nan 8.230 nan 0.000 0.539 57 L N 6.379 127.641 121.223 0.066 0.000 2.276 57 L HA 0.749 5.089 4.340 -0.000 0.000 0.286 57 L C -1.140 175.712 176.870 -0.030 0.000 1.061 57 L CA -0.265 54.492 54.840 -0.138 0.000 0.807 57 L CB 0.633 42.649 42.059 -0.071 0.000 1.177 57 L HN 0.681 nan 8.230 nan 0.000 0.429 58 L N 4.291 125.518 121.223 0.007 0.000 2.362 58 L HA 0.653 4.993 4.340 -0.000 0.000 0.271 58 L C -0.197 176.701 176.870 0.047 0.000 1.002 58 L CA -0.626 54.241 54.840 0.044 0.000 0.818 58 L CB 2.287 44.441 42.059 0.159 0.000 1.298 58 L HN 0.614 nan 8.230 nan 0.000 0.420 59 T N -0.736 113.794 114.554 -0.041 0.000 2.887 59 T HA 0.879 5.229 4.350 -0.000 0.000 0.288 59 T C -0.603 173.917 174.700 -0.301 0.000 1.021 59 T CA -0.811 61.244 62.100 -0.075 0.000 1.000 59 T CB 2.277 71.104 68.868 -0.069 0.000 1.034 59 T HN 0.722 nan 8.240 nan 0.000 0.467 60 A N 1.695 124.310 122.820 -0.342 0.000 2.414 60 A HA 0.813 5.133 4.320 -0.000 0.000 0.306 60 A C -0.987 176.485 177.584 -0.185 0.000 1.054 60 A CA -0.802 50.857 52.037 -0.630 0.000 0.724 60 A CB 1.817 20.089 19.000 -1.214 0.000 1.267 60 A HN 0.865 nan 8.150 nan 0.000 0.418 61 V N 3.652 123.513 119.914 -0.089 0.000 2.709 61 V HA 0.532 4.652 4.120 -0.000 0.000 0.308 61 V C -2.361 173.781 176.094 0.080 0.000 1.062 61 V CA -1.718 60.623 62.300 0.068 0.000 0.901 61 V CB 2.493 34.454 31.823 0.231 0.000 1.003 61 V HN 0.858 nan 8.190 nan 0.000 0.425 62 P HA 0.239 nan 4.420 nan 0.000 0.271 62 P C -0.940 176.435 177.300 0.125 0.000 1.220 62 P CA 0.253 63.405 63.100 0.086 0.000 0.768 62 P CB 1.218 32.949 31.700 0.052 0.000 0.848 63 V N 0.006 120.012 119.914 0.153 0.000 3.049 63 V HA 0.471 4.591 4.120 -0.000 0.000 0.309 63 V C 0.289 176.503 176.094 0.201 0.000 1.148 63 V CA -1.279 61.109 62.300 0.146 0.000 0.990 63 V CB 1.873 33.706 31.823 0.017 0.000 1.039 63 V HN 0.390 nan 8.190 nan 0.000 0.430 64 M N 2.323 122.049 119.600 0.209 0.000 2.206 64 M HA -0.217 4.263 4.480 -0.000 0.000 0.197 64 M C 0.949 177.412 176.300 0.273 0.000 0.375 64 M CA 1.332 56.784 55.300 0.254 0.000 0.410 64 M CB -2.187 30.566 32.600 0.254 0.000 1.204 64 M HN 1.255 nan 8.290 nan 0.000 0.932 65 K N -3.274 117.229 120.400 0.171 0.000 9.188 65 K HA -0.263 4.057 4.320 -0.000 0.000 0.503 65 K C 0.953 177.578 176.600 0.042 0.000 0.367 65 K CA 2.432 58.780 56.287 0.101 0.000 1.958 65 K CB -2.104 30.451 32.500 0.092 0.000 0.698 65 K HN 0.762 nan 8.250 nan 0.000 1.029 66 V N -2.018 117.884 119.914 -0.020 0.000 3.477 66 V HA 0.407 4.526 4.120 -0.000 0.000 0.297 66 V C 1.016 176.910 176.094 -0.333 0.000 1.433 66 V CA -0.104 62.065 62.300 -0.218 0.000 1.052 66 V CB -0.316 31.276 31.823 -0.385 0.000 0.895 66 V HN 0.161 nan 8.190 nan 0.000 0.438 67 F N 1.227 121.216 119.950 0.064 0.000 2.377 67 F HA 0.758 5.285 4.527 -0.000 0.000 0.335 67 F C 0.567 176.424 175.800 0.094 0.000 1.099 67 F CA -0.827 57.222 58.000 0.082 0.000 1.072 67 F CB 1.050 40.100 39.000 0.083 0.000 1.417 67 F HN -0.170 nan 8.300 nan 0.000 0.495 68 K N -0.203 120.417 120.400 0.368 0.000 2.498 68 K HA 0.268 4.588 4.320 -0.000 0.000 0.254 68 K C -1.995 174.743 176.600 0.228 0.000 0.933 68 K CA -0.913 55.515 56.287 0.235 0.000 0.806 68 K CB 2.392 35.010 32.500 0.196 0.000 1.301 68 K HN 0.480 nan 8.250 nan 0.000 0.432 69 Y N 2.926 123.195 120.300 -0.053 0.000 2.367 69 Y HA 0.412 4.962 4.550 -0.000 0.000 0.342 69 Y C -1.470 174.335 175.900 -0.158 0.000 0.979 69 Y CA -1.042 56.904 58.100 -0.256 0.000 1.161 69 Y CB 0.258 38.569 38.460 -0.249 0.000 1.155 69 Y HN 0.400 nan 8.280 nan 0.000 0.503 70 F N 6.993 126.616 119.950 -0.545 0.000 2.408 70 F HA 0.346 4.873 4.527 -0.000 0.000 0.344 70 F C -0.882 174.605 175.800 -0.522 0.000 1.112 70 F CA -0.490 57.248 58.000 -0.437 0.000 1.096 70 F CB 0.917 39.799 39.000 -0.196 0.000 1.129 70 F HN 0.513 nan 8.300 nan 0.000 0.486 71 Y N 2.016 122.055 120.300 -0.435 0.000 2.391 71 Y HA 0.289 4.839 4.550 -0.000 0.000 0.341 71 Y C 0.684 176.527 175.900 -0.094 0.000 0.965 71 Y CA -1.641 56.270 58.100 -0.315 0.000 1.067 71 Y CB 1.979 40.208 38.460 -0.385 0.000 1.199 71 Y HN 0.552 nan 8.280 nan 0.000 0.450 72 S N 2.158 117.546 115.700 -0.521 0.000 2.603 72 S HA 0.005 4.475 4.470 -0.000 0.000 0.220 72 S C -0.063 174.164 174.600 -0.622 0.000 0.967 72 S CA 0.509 58.474 58.200 -0.391 0.000 0.920 72 S CB -0.963 62.179 63.200 -0.098 0.000 0.773 72 S HN 0.861 nan 8.310 nan 0.000 0.529 73 N N 2.215 120.072 118.700 -1.406 0.000 2.705 73 N HA -0.171 4.569 4.740 -0.000 0.000 0.255 73 N C 0.099 175.351 175.510 -0.430 0.000 1.008 73 N CA 0.697 53.249 53.050 -0.830 0.000 0.742 73 N CB -0.913 37.398 38.487 -0.294 0.000 0.906 73 N HN 0.275 nan 8.380 nan 0.000 0.541 74 R N -4.014 116.236 120.500 -0.416 0.000 3.994 74 R HA -0.142 4.198 4.340 -0.000 0.000 0.403 74 R C 0.813 177.006 176.300 -0.178 0.000 1.126 74 R CA 1.385 57.284 56.100 -0.336 0.000 1.143 74 R CB -1.976 27.946 30.300 -0.630 0.000 1.695 74 R HN 0.600 nan 8.270 nan 0.000 0.555 75 G N 0.292 109.014 108.800 -0.130 0.000 2.642 75 G HA2 0.694 4.654 3.960 -0.000 0.000 0.291 75 G HA3 0.694 4.654 3.960 -0.000 0.000 0.291 75 G C -2.530 172.393 174.900 0.038 0.000 1.345 75 G CA -0.786 44.299 45.100 -0.025 0.000 1.043 75 G HN -0.016 nan 8.290 nan 0.000 0.528 76 P HA 0.319 nan 4.420 nan 0.000 0.278 76 P C -0.684 176.551 177.300 -0.109 0.000 1.266 76 P CA -0.363 62.631 63.100 -0.176 0.000 0.807 76 P CB 1.670 32.907 31.700 -0.771 0.000 1.094 77 V N 3.182 123.026 119.914 -0.117 0.000 2.350 77 V HA 0.489 4.609 4.120 -0.000 0.000 0.276 77 V C 0.581 176.622 176.094 -0.089 0.000 1.028 77 V CA -0.107 62.162 62.300 -0.052 0.000 0.860 77 V CB 0.273 32.059 31.823 -0.062 0.000 0.990 77 V HN 0.543 nan 8.190 nan 0.000 0.453 78 I N 2.699 123.146 120.570 -0.205 0.000 3.021 78 I HA 0.376 4.546 4.170 -0.000 0.000 0.305 78 I C -1.510 174.437 176.117 -0.283 0.000 1.434 78 I CA -0.664 60.467 61.300 -0.282 0.000 0.969 78 I CB 2.598 40.218 38.000 -0.633 0.000 1.328 78 I HN 0.630 nan 8.210 nan 0.000 0.486 79 D N 3.758 124.075 120.400 -0.138 0.000 2.359 79 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 79 D C 0.032 176.301 176.300 -0.051 0.000 1.264 79 D CA 0.517 54.494 54.000 -0.038 0.000 0.911 79 D CB 0.185 40.995 40.800 0.017 0.000 1.056 79 D HN 0.381 nan 8.370 nan 0.000 0.499 80 Y N 1.812 122.160 120.300 0.080 0.000 2.578 80 Y HA -0.001 4.549 4.550 -0.000 0.000 0.297 80 Y C 1.814 177.889 175.900 0.292 0.000 1.176 80 Y CA 0.190 58.396 58.100 0.177 0.000 1.315 80 Y CB 0.338 38.819 38.460 0.035 0.000 1.031 80 Y HN 0.429 nan 8.280 nan 0.000 0.524 81 E N -0.326 120.035 120.200 0.267 0.000 2.230 81 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 81 E C 0.365 176.997 176.600 0.053 0.000 0.987 81 E CA 0.340 56.844 56.400 0.174 0.000 0.841 81 E CB -0.198 29.567 29.700 0.109 0.000 0.783 81 E HN 0.220 nan 8.360 nan 0.000 0.481 82 N N 2.188 120.926 118.700 0.063 0.000 2.555 82 N HA -0.004 4.736 4.740 -0.000 0.000 0.244 82 N C 0.688 176.208 175.510 0.017 0.000 1.114 82 N CA 0.119 53.175 53.050 0.009 0.000 0.963 82 N CB 0.468 38.968 38.487 0.022 0.000 1.276 82 N HN 0.101 nan 8.380 nan 0.000 0.510 83 Q N 1.483 121.193 119.800 -0.151 0.000 2.170 83 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 83 Q C 0.845 176.876 176.000 0.052 0.000 0.976 83 Q CA 1.325 57.002 55.803 -0.211 0.000 0.858 83 Q CB 0.244 28.606 28.738 -0.626 0.000 0.907 83 Q HN 0.674 nan 8.270 nan 0.000 0.433 84 E N 0.553 120.766 120.200 0.023 0.000 2.106 84 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 84 E C 1.972 178.691 176.600 0.199 0.000 0.984 84 E CA 0.661 57.112 56.400 0.086 0.000 0.806 84 E CB -0.060 29.645 29.700 0.009 0.000 0.750 84 E HN 0.160 nan 8.360 nan 0.000 0.458 85 L N 0.871 122.185 121.223 0.152 0.000 2.056 85 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 85 L C 2.203 179.253 176.870 0.300 0.000 1.078 85 L CA 1.268 56.226 54.840 0.196 0.000 0.749 85 L CB -0.254 41.859 42.059 0.092 0.000 0.901 85 L HN -0.082 nan 8.230 nan 0.000 0.433 86 V N -0.497 119.595 119.914 0.297 0.000 2.343 86 V HA -0.346 3.774 4.120 -0.000 0.000 0.247 86 V C 2.515 178.941 176.094 0.553 0.000 1.051 86 V CA 2.088 64.642 62.300 0.423 0.000 1.036 86 V CB -0.890 31.306 31.823 0.623 0.000 0.654 86 V HN 0.693 nan 8.190 nan 0.000 0.451 87 H N -0.693 118.609 119.070 0.386 0.000 2.293 87 H HA -0.243 4.312 4.556 -0.000 0.000 0.300 87 H C 2.004 177.511 175.328 0.297 0.000 1.082 87 H CA 2.433 58.673 56.048 0.321 0.000 1.308 87 H CB -0.297 29.602 29.762 0.230 0.000 1.375 87 H HN 0.357 nan 8.280 nan 0.000 0.495 88 F N -0.007 120.114 119.950 0.285 0.000 2.095 88 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 88 F C 2.137 177.981 175.800 0.074 0.000 1.104 88 F CA 1.687 59.785 58.000 0.164 0.000 1.232 88 F CB -0.861 38.231 39.000 0.154 0.000 0.987 88 F HN 0.279 nan 8.300 nan 0.000 0.475 89 F N -0.166 119.786 119.950 0.004 0.000 2.102 89 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 89 F C 1.988 177.555 175.800 -0.389 0.000 1.105 89 F CA 1.879 59.755 58.000 -0.207 0.000 1.239 89 F CB -0.859 37.992 39.000 -0.249 0.000 0.991 89 F HN -0.031 nan 8.300 nan 0.000 0.474 90 F N 0.113 120.058 119.950 -0.009 0.000 2.325 90 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 90 F C 2.236 177.906 175.800 -0.216 0.000 1.090 90 F CA 1.290 59.197 58.000 -0.155 0.000 1.392 90 F CB -0.768 38.082 39.000 -0.250 0.000 1.053 90 F HN 0.039 nan 8.300 nan 0.000 0.521 91 N N 0.144 118.738 118.700 -0.176 0.000 2.171 91 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 91 N C 1.734 176.990 175.510 -0.424 0.000 1.021 91 N CA 1.157 54.066 53.050 -0.235 0.000 0.854 91 N CB -0.065 38.272 38.487 -0.250 0.000 0.994 91 N HN 0.041 nan 8.380 nan 0.000 0.426 92 E N 0.051 119.804 120.200 -0.746 0.000 2.208 92 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 92 E C 1.801 177.604 176.600 -1.329 0.000 0.988 92 E CA 0.299 56.046 56.400 -1.089 0.000 0.828 92 E CB -0.262 28.545 29.700 -1.488 0.000 0.763 92 E HN 0.341 nan 8.360 nan 0.000 0.478 93 L N 1.028 121.559 121.223 -1.153 0.000 2.093 93 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 93 L C 2.102 178.762 176.870 -0.351 0.000 1.085 93 L CA 1.516 55.883 54.840 -0.789 0.000 0.755 93 L CB -0.496 41.225 42.059 -0.563 0.000 0.904 93 L HN -0.115 nan 8.230 nan 0.000 0.435 94 S N -0.206 115.353 115.700 -0.236 0.000 2.356 94 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 94 S C 1.871 176.338 174.600 -0.222 0.000 1.032 94 S CA 1.602 59.708 58.200 -0.158 0.000 1.005 94 S CB -0.257 62.877 63.200 -0.110 0.000 0.867 94 S HN 0.481 nan 8.310 nan 0.000 0.449 95 K N -0.048 120.188 120.400 -0.274 0.000 2.057 95 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 95 K C 2.028 178.492 176.600 -0.226 0.000 1.049 95 K CA 1.464 57.606 56.287 -0.241 0.000 0.931 95 K CB -0.337 32.007 32.500 -0.260 0.000 0.714 95 K HN 0.400 nan 8.250 nan 0.000 0.440 96 Y N 1.797 121.859 120.300 -0.396 0.000 2.114 96 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 96 Y C 2.098 177.876 175.900 -0.205 0.000 1.143 96 Y CA 1.617 59.566 58.100 -0.252 0.000 1.135 96 Y CB -0.276 38.037 38.460 -0.244 0.000 0.980 96 Y HN -0.087 nan 8.280 nan 0.000 0.499 97 V N -1.549 118.192 119.914 -0.288 0.000 2.759 97 V HA -0.181 3.939 4.120 -0.000 0.000 0.256 97 V C 1.814 177.671 176.094 -0.395 0.000 1.080 97 V CA 1.942 63.875 62.300 -0.612 0.000 1.101 97 V CB -0.757 30.584 31.823 -0.803 0.000 0.698 97 V HN 0.300 nan 8.190 nan 0.000 0.477 98 K N 0.479 120.716 120.400 -0.272 0.000 2.365 98 K HA 0.010 4.329 4.320 -0.000 0.000 0.199 98 K C 1.997 178.475 176.600 -0.204 0.000 1.045 98 K CA 0.966 57.144 56.287 -0.182 0.000 0.962 98 K CB -0.140 32.270 32.500 -0.149 0.000 0.759 98 K HN 0.501 nan 8.250 nan 0.000 0.469 99 K N -0.150 120.055 120.400 -0.326 0.000 2.418 99 K HA 0.002 4.322 4.320 -0.000 0.000 0.195 99 K C 0.514 176.756 176.600 -0.596 0.000 1.035 99 K CA 0.577 56.590 56.287 -0.456 0.000 1.003 99 K CB 0.312 32.448 32.500 -0.607 0.000 0.793 99 K HN 0.226 nan 8.250 nan 0.000 0.494 100 H N 0.550 119.491 119.070 -0.216 0.000 2.467 100 H HA 0.262 4.818 4.556 -0.000 0.000 0.275 100 H C -0.526 174.846 175.328 0.074 0.000 1.131 100 H CA -0.182 55.837 56.048 -0.049 0.000 0.989 100 H CB 0.332 30.112 29.762 0.031 0.000 1.696 100 H HN 0.056 nan 8.280 nan 0.000 0.574 101 R N -0.331 120.217 120.500 0.080 0.000 3.416 101 R HA -0.163 4.177 4.340 -0.000 0.000 0.263 101 R C 0.083 176.574 176.300 0.319 0.000 1.053 101 R CA 0.463 56.643 56.100 0.134 0.000 0.705 101 R CB -2.453 27.847 30.300 0.000 0.000 1.124 101 R HN 0.328 nan 8.270 nan 0.000 0.444 102 C N 0.383 119.824 119.300 0.235 0.000 2.637 102 C HA 0.222 4.681 4.460 -0.000 0.000 0.418 102 C C 2.017 177.160 174.990 0.254 0.000 1.319 102 C CA -0.274 58.902 59.018 0.263 0.000 1.949 102 C CB 0.295 28.025 27.740 -0.017 0.000 2.639 102 C HN 0.582 nan 8.230 nan 0.000 0.594 103 L N 5.495 126.867 121.223 0.247 0.000 2.221 103 L HA 0.400 4.739 4.340 -0.000 0.000 0.202 103 L C 0.112 177.060 176.870 0.129 0.000 1.074 103 L CA 1.192 56.082 54.840 0.084 0.000 0.795 103 L CB -0.377 41.739 42.059 0.095 0.000 0.960 103 L HN 0.873 nan 8.230 nan 0.000 0.458 104 Y N -1.849 118.439 120.300 -0.020 0.000 2.521 104 Y HA 0.567 5.116 4.550 -0.000 0.000 0.332 104 Y C -1.573 174.396 175.900 0.115 0.000 1.121 104 Y CA -2.024 56.006 58.100 -0.117 0.000 1.037 104 Y CB 0.648 38.851 38.460 -0.428 0.000 1.330 104 Y HN -0.075 nan 8.280 nan 0.000 0.452 105 L N 4.639 125.919 121.223 0.096 0.000 2.287 105 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 105 L C -1.169 175.931 176.870 0.383 0.000 1.022 105 L CA -0.386 54.554 54.840 0.166 0.000 0.814 105 L CB 0.976 43.114 42.059 0.131 0.000 1.217 105 L HN 0.930 nan 8.230 nan 0.000 0.420 106 H N 6.321 125.576 119.070 0.309 0.000 2.551 106 H HA 0.595 5.151 4.556 -0.000 0.000 0.321 106 H C -0.943 174.663 175.328 0.464 0.000 1.028 106 H CA -1.005 55.326 56.048 0.472 0.000 1.215 106 H CB 1.189 31.331 29.762 0.634 0.000 1.414 106 H HN 0.766 nan 8.280 nan 0.000 0.480 107 I N 2.704 123.653 120.570 0.632 0.000 2.569 107 I HA 0.375 4.545 4.170 -0.000 0.000 0.296 107 I C -1.203 175.159 176.117 0.408 0.000 1.028 107 I CA -0.969 60.559 61.300 0.380 0.000 1.082 107 I CB 2.327 40.568 38.000 0.401 0.000 1.264 107 I HN 0.527 nan 8.210 nan 0.000 0.429 108 D N 4.153 124.672 120.400 0.198 0.000 2.735 108 D HA 0.292 4.932 4.640 -0.000 0.000 0.291 108 D C -2.865 173.464 176.300 0.049 0.000 1.205 108 D CA -1.578 52.545 54.000 0.204 0.000 0.777 108 D CB 0.758 41.682 40.800 0.207 0.000 1.234 108 D HN 0.338 nan 8.370 nan 0.000 0.520 109 P HA -0.073 nan 4.420 nan 0.000 0.265 109 P C -0.295 176.921 177.300 -0.140 0.000 1.193 109 P CA -0.173 62.890 63.100 -0.062 0.000 0.765 109 P CB 0.682 32.273 31.700 -0.182 0.000 0.823 110 Y N 4.089 124.209 120.300 -0.300 0.000 2.623 110 Y HA 0.243 4.793 4.550 -0.000 0.000 0.341 110 Y C -0.301 175.355 175.900 -0.407 0.000 1.292 110 Y CA -0.909 56.977 58.100 -0.357 0.000 1.840 110 Y CB -0.175 38.194 38.460 -0.152 0.000 1.865 110 Y HN 0.199 nan 8.280 nan 0.000 0.440 111 L N 7.021 128.034 121.223 -0.351 0.000 2.372 111 L HA 0.585 4.925 4.340 -0.000 0.000 0.274 111 L C -2.769 173.915 176.870 -0.310 0.000 0.988 111 L CA -2.578 51.876 54.840 -0.643 0.000 0.833 111 L CB 1.486 42.892 42.059 -1.088 0.000 1.236 111 L HN 0.154 nan 8.230 nan 0.000 0.410 112 P HA 0.059 nan 4.420 nan 0.000 0.269 112 P C -1.029 176.108 177.300 -0.273 0.000 1.209 112 P CA 0.323 63.199 63.100 -0.373 0.000 0.776 112 P CB 0.487 31.929 31.700 -0.431 0.000 0.876 113 Y N 2.146 122.207 120.300 -0.398 0.000 2.697 113 Y HA 0.299 4.849 4.550 -0.000 0.000 0.268 113 Y C 0.086 175.802 175.900 -0.306 0.000 1.092 113 Y CA 0.977 58.946 58.100 -0.219 0.000 1.304 113 Y CB 0.436 38.886 38.460 -0.017 0.000 1.446 113 Y HN 0.330 nan 8.280 nan 0.000 0.491 114 Q N -0.551 118.844 119.800 -0.675 0.000 2.456 114 Q HA 0.381 4.721 4.340 -0.000 0.000 0.283 114 Q C -2.062 173.547 176.000 -0.650 0.000 1.084 114 Q CA -1.000 54.358 55.803 -0.742 0.000 0.801 114 Q CB 2.975 31.267 28.738 -0.744 0.000 1.434 114 Q HN 0.246 nan 8.270 nan 0.000 0.419 115 Y N 0.504 120.709 120.300 -0.158 0.000 2.393 115 Y HA 0.625 5.175 4.550 -0.000 0.000 0.341 115 Y C -0.569 175.280 175.900 -0.084 0.000 0.988 115 Y CA -0.826 57.224 58.100 -0.085 0.000 1.078 115 Y CB 1.279 39.715 38.460 -0.041 0.000 1.203 115 Y HN 0.362 nan 8.280 nan 0.000 0.453 116 L N 1.995 123.270 121.223 0.086 0.000 2.341 116 L HA 0.518 4.858 4.340 -0.000 0.000 0.254 116 L C -0.673 176.168 176.870 -0.047 0.000 1.040 116 L CA -0.990 53.825 54.840 -0.041 0.000 0.837 116 L CB 1.577 43.545 42.059 -0.152 0.000 1.425 116 L HN 0.721 nan 8.230 nan 0.000 0.414 117 N N -2.123 116.507 118.700 -0.116 0.000 2.530 117 N HA 0.229 4.969 4.740 -0.000 0.000 0.283 117 N C 0.103 175.515 175.510 -0.164 0.000 1.238 117 N CA -0.515 52.525 53.050 -0.017 0.000 0.971 117 N CB 0.184 38.678 38.487 0.011 0.000 1.195 117 N HN 0.486 nan 8.380 nan 0.000 0.583 118 H N -1.846 117.170 119.070 -0.091 0.000 2.556 118 H HA 0.151 4.707 4.556 -0.000 0.000 0.273 118 H C -0.362 174.936 175.328 -0.050 0.000 1.030 118 H CA 0.377 56.414 56.048 -0.017 0.000 1.156 118 H CB -0.100 29.756 29.762 0.156 0.000 1.326 118 H HN 0.515 nan 8.280 nan 0.000 0.609 119 D N -1.114 119.218 120.400 -0.112 0.000 2.369 119 D HA 0.155 4.794 4.640 -0.000 0.000 0.211 119 D C 1.543 177.704 176.300 -0.232 0.000 1.077 119 D CA 0.673 54.641 54.000 -0.055 0.000 0.842 119 D CB 0.516 41.305 40.800 -0.017 0.000 0.947 119 D HN 0.446 nan 8.370 nan 0.000 0.509 120 G N 1.345 109.665 108.800 -0.799 0.000 2.143 120 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.249 120 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.249 120 G C -0.010 174.686 174.900 -0.339 0.000 0.981 120 G CA -0.227 44.385 45.100 -0.812 0.000 0.665 120 G HN 0.354 nan 8.290 nan 0.000 0.528 121 E N -0.099 119.944 120.200 -0.262 0.000 2.227 121 E HA 0.510 4.860 4.350 -0.000 0.000 0.282 121 E C 0.618 177.145 176.600 -0.123 0.000 1.015 121 E CA -0.811 55.507 56.400 -0.137 0.000 0.823 121 E CB 1.412 31.060 29.700 -0.086 0.000 1.081 121 E HN 0.380 nan 8.360 nan 0.000 0.396 122 I N 2.823 123.338 120.570 -0.092 0.000 2.598 122 I HA -0.094 4.076 4.170 -0.000 0.000 0.284 122 I C 1.533 177.624 176.117 -0.043 0.000 1.140 122 I CA 0.518 61.771 61.300 -0.079 0.000 1.420 122 I CB 0.551 38.493 38.000 -0.097 0.000 1.387 122 I HN 0.699 nan 8.210 nan 0.000 0.553 123 T N 1.189 115.739 114.554 -0.006 0.000 3.014 123 T HA 0.396 4.746 4.350 -0.000 0.000 0.250 123 T C 0.586 175.316 174.700 0.050 0.000 1.060 123 T CA 0.096 62.208 62.100 0.021 0.000 1.040 123 T CB 0.574 69.464 68.868 0.036 0.000 0.971 123 T HN 0.787 nan 8.240 nan 0.000 0.497 124 G N 0.588 109.435 108.800 0.079 0.000 2.489 124 G HA2 0.450 4.410 3.960 -0.000 0.000 0.291 124 G HA3 0.450 4.410 3.960 -0.000 0.000 0.291 124 G C -2.173 172.761 174.900 0.056 0.000 1.487 124 G CA -1.110 44.058 45.100 0.114 0.000 0.795 124 G HN 0.277 nan 8.290 nan 0.000 0.513 125 N N -0.334 118.379 118.700 0.022 0.000 2.430 125 N HA 0.574 5.314 4.740 -0.000 0.000 0.292 125 N C 1.110 176.611 175.510 -0.015 0.000 1.051 125 N CA 0.248 53.241 53.050 -0.096 0.000 0.917 125 N CB 1.867 40.322 38.487 -0.054 0.000 1.164 125 N HN 0.706 nan 8.380 nan 0.000 0.484 126 A N 2.629 125.340 122.820 -0.182 0.000 2.168 126 A HA 0.235 4.555 4.320 -0.000 0.000 0.215 126 A C 1.388 179.013 177.584 0.069 0.000 1.152 126 A CA 0.734 52.722 52.037 -0.082 0.000 0.716 126 A CB -0.953 17.838 19.000 -0.348 0.000 0.794 126 A HN 1.175 nan 8.150 nan 0.000 0.465 127 G N -0.694 108.158 108.800 0.087 0.000 2.137 127 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.237 127 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.237 127 G C 0.168 175.215 174.900 0.244 0.000 1.002 127 G CA 0.316 45.516 45.100 0.167 0.000 0.702 127 G HN 0.483 nan 8.290 nan 0.000 0.515 128 N N 0.275 119.063 118.700 0.147 0.000 2.235 128 N HA 0.152 4.892 4.740 -0.000 0.000 0.231 128 N C 0.914 176.356 175.510 -0.114 0.000 1.177 128 N CA 0.226 53.262 53.050 -0.023 0.000 0.874 128 N CB 0.341 38.690 38.487 -0.229 0.000 1.097 128 N HN 0.219 nan 8.380 nan 0.000 0.518 129 D N 0.831 121.359 120.400 0.213 0.000 2.190 129 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 129 D C 1.898 178.376 176.300 0.296 0.000 0.992 129 D CA 0.772 54.998 54.000 0.376 0.000 0.854 129 D CB -0.217 40.780 40.800 0.330 0.000 0.936 129 D HN 0.539 nan 8.370 nan 0.000 0.462 130 W N 0.426 121.873 121.300 0.245 0.000 2.364 130 W HA -0.197 4.462 4.660 -0.000 0.000 0.281 130 W C 1.688 178.303 176.519 0.159 0.000 1.219 130 W CA -0.000 57.454 57.345 0.183 0.000 1.220 130 W CB -1.411 28.133 29.460 0.141 0.000 1.127 130 W HN -0.072 nan 8.180 nan 0.000 0.556 131 F N 1.608 120.904 119.950 -1.091 0.000 2.126 131 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 131 F C 2.202 177.611 175.800 -0.652 0.000 1.096 131 F CA 1.822 59.088 58.000 -1.223 0.000 1.255 131 F CB -1.015 37.141 39.000 -1.406 0.000 0.997 131 F HN -0.261 nan 8.300 nan 0.000 0.479 132 F N 0.645 120.424 119.950 -0.285 0.000 2.095 132 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 132 F C 2.417 178.117 175.800 -0.167 0.000 1.104 132 F CA 1.743 59.628 58.000 -0.192 0.000 1.232 132 F CB -0.967 37.978 39.000 -0.092 0.000 0.987 132 F HN -0.063 nan 8.300 nan 0.000 0.475 133 D N 0.078 120.545 120.400 0.111 0.000 2.117 133 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 133 D C 2.135 178.451 176.300 0.026 0.000 0.982 133 D CA 1.183 55.241 54.000 0.097 0.000 0.828 133 D CB -0.361 40.531 40.800 0.153 0.000 0.967 133 D HN 0.193 nan 8.370 nan 0.000 0.464 134 K N -0.127 120.261 120.400 -0.020 0.000 2.057 134 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 134 K C 2.000 178.464 176.600 -0.227 0.000 1.049 134 K CA 1.001 57.274 56.287 -0.023 0.000 0.931 134 K CB 0.039 32.609 32.500 0.118 0.000 0.714 134 K HN -0.074 nan 8.250 nan 0.000 0.440 135 M N 0.543 119.794 119.600 -0.580 0.000 2.117 135 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 135 M C 2.472 178.719 176.300 -0.088 0.000 1.065 135 M CA 1.466 56.414 55.300 -0.588 0.000 1.114 135 M CB -1.195 30.720 32.600 -1.143 0.000 1.361 135 M HN 0.241 nan 8.290 nan 0.000 0.408 136 S N 0.934 116.619 115.700 -0.024 0.000 2.359 136 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 136 S C 1.674 176.310 174.600 0.060 0.000 1.035 136 S CA 1.489 59.733 58.200 0.074 0.000 1.018 136 S CB -0.207 63.048 63.200 0.091 0.000 0.876 136 S HN 0.460 nan 8.310 nan 0.000 0.448 137 N N 1.249 119.980 118.700 0.052 0.000 2.272 137 N HA -0.025 4.715 4.740 -0.000 0.000 0.185 137 N C 1.313 176.865 175.510 0.071 0.000 1.014 137 N CA 0.890 53.983 53.050 0.071 0.000 0.870 137 N CB -0.410 38.139 38.487 0.103 0.000 0.975 137 N HN 0.454 nan 8.380 nan 0.000 0.433 138 L N -0.529 120.740 121.223 0.076 0.000 2.611 138 L HA 0.196 4.536 4.340 -0.000 0.000 0.229 138 L C 1.206 178.107 176.870 0.051 0.000 1.137 138 L CA 0.100 55.000 54.840 0.099 0.000 0.901 138 L CB -0.160 42.001 42.059 0.169 0.000 1.098 138 L HN 0.186 nan 8.230 nan 0.000 0.456 139 G N -0.160 108.649 108.800 0.015 0.000 2.176 139 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 139 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 139 G C 0.072 174.877 174.900 -0.158 0.000 0.979 139 G CA -0.430 44.613 45.100 -0.094 0.000 0.641 139 G HN 0.208 nan 8.290 nan 0.000 0.530 140 F N 2.622 122.556 119.950 -0.027 0.000 2.405 140 F HA 0.416 4.943 4.527 -0.000 0.000 0.358 140 F C 0.911 176.806 175.800 0.158 0.000 1.151 140 F CA -0.357 57.665 58.000 0.036 0.000 1.161 140 F CB 0.603 39.539 39.000 -0.108 0.000 1.245 140 F HN 0.130 nan 8.300 nan 0.000 0.545 141 E N 2.654 123.007 120.200 0.256 0.000 2.180 141 E HA 0.031 4.381 4.350 -0.000 0.000 0.283 141 E C -0.065 176.672 176.600 0.229 0.000 1.061 141 E CA -0.421 56.111 56.400 0.219 0.000 0.861 141 E CB 0.579 30.338 29.700 0.098 0.000 1.056 141 E HN 0.544 nan 8.360 nan 0.000 0.407 142 H N 2.777 121.882 119.070 0.058 0.000 2.928 142 H HA -0.034 4.522 4.556 -0.000 0.000 0.338 142 H C 1.038 176.206 175.328 -0.266 0.000 1.047 142 H CA 0.537 56.358 56.048 -0.379 0.000 1.435 142 H CB 1.057 30.607 29.762 -0.354 0.000 1.428 142 H HN 0.659 nan 8.280 nan 0.000 0.590 143 T N 1.431 115.583 114.554 -0.670 0.000 3.088 143 T HA 0.280 4.630 4.350 -0.000 0.000 0.259 143 T C 0.900 175.270 174.700 -0.549 0.000 1.122 143 T CA 0.414 62.245 62.100 -0.449 0.000 1.095 143 T CB 0.157 68.851 68.868 -0.290 0.000 0.930 143 T HN 0.898 nan 8.240 nan 0.000 0.508 144 G N 0.596 108.708 108.800 -1.146 0.000 2.423 144 G HA2 0.125 4.085 3.960 -0.000 0.000 0.684 144 G HA3 0.125 4.085 3.960 -0.000 0.000 0.684 144 G C -0.851 173.633 174.900 -0.693 0.000 1.309 144 G CA -0.940 43.709 45.100 -0.752 0.000 0.950 144 G HN 0.196 nan 8.290 nan 0.000 0.587 145 F N 2.368 122.298 119.950 -0.032 0.000 2.626 145 F HA 0.353 4.880 4.527 -0.000 0.000 0.353 145 F C 1.538 177.346 175.800 0.013 0.000 1.230 145 F CA -0.104 57.891 58.000 -0.008 0.000 1.298 145 F CB -0.448 38.583 39.000 0.053 0.000 1.670 145 F HN 0.633 nan 8.300 nan 0.000 0.633 146 H N -0.189 118.921 119.070 0.067 0.000 2.690 146 H HA 0.625 5.181 4.556 -0.000 0.000 0.365 146 H C -0.539 174.896 175.328 0.178 0.000 1.142 146 H CA -0.864 55.231 56.048 0.078 0.000 1.417 146 H CB 0.806 30.568 29.762 0.000 0.000 1.446 146 H HN 0.319 nan 8.280 nan 0.000 0.599 147 K N 1.145 121.682 120.400 0.229 0.000 2.480 147 K HA 0.583 4.903 4.320 -0.000 0.000 0.258 147 K C -0.447 176.153 176.600 -0.001 0.000 0.990 147 K CA -0.678 55.681 56.287 0.120 0.000 0.857 147 K CB 2.446 34.951 32.500 0.009 0.000 1.384 147 K HN 1.094 nan 8.250 nan 0.000 0.446 148 G N 0.474 109.142 108.800 -0.220 0.000 2.756 148 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.678 148 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.678 148 G C -1.074 173.615 174.900 -0.353 0.000 1.349 148 G CA -1.003 43.867 45.100 -0.383 0.000 0.847 148 G HN 0.355 nan 8.290 nan 0.000 0.548 149 F N 1.421 121.411 119.950 0.067 0.000 2.390 149 F HA 0.378 4.905 4.527 -0.000 0.000 0.361 149 F C 0.932 176.766 175.800 0.057 0.000 1.124 149 F CA -0.443 57.603 58.000 0.076 0.000 1.149 149 F CB 1.166 40.196 39.000 0.049 0.000 1.160 149 F HN 0.514 nan 8.300 nan 0.000 0.501 150 D N 4.626 125.143 120.400 0.194 0.000 2.283 150 D HA 0.183 4.823 4.640 -0.000 0.000 0.248 150 D C -1.609 174.749 176.300 0.097 0.000 1.072 150 D CA -1.644 52.409 54.000 0.088 0.000 0.929 150 D CB 2.053 42.842 40.800 -0.018 0.000 1.182 150 D HN 0.246 nan 8.370 nan 0.000 0.433 151 P HA -0.049 nan 4.420 nan 0.000 0.219 151 P C 1.152 178.483 177.300 0.051 0.000 1.150 151 P CA 0.459 63.588 63.100 0.048 0.000 0.814 151 P CB 0.490 32.203 31.700 0.021 0.000 0.787 152 V N -1.503 118.431 119.914 0.033 0.000 2.721 152 V HA 0.065 4.185 4.120 -0.000 0.000 0.236 152 V C 1.201 177.341 176.094 0.076 0.000 1.116 152 V CA 0.213 62.539 62.300 0.042 0.000 1.148 152 V CB -0.756 31.074 31.823 0.013 0.000 0.886 152 V HN -0.070 nan 8.190 nan 0.000 0.490 153 L N 2.156 123.406 121.223 0.045 0.000 2.453 153 L HA 0.159 4.499 4.340 -0.000 0.000 0.272 153 L C 0.366 177.345 176.870 0.182 0.000 1.182 153 L CA -0.125 54.771 54.840 0.093 0.000 0.858 153 L CB 0.016 41.986 42.059 -0.147 0.000 1.120 153 L HN 0.312 nan 8.230 nan 0.000 0.474 154 Q N 2.009 121.954 119.800 0.243 0.000 2.395 154 Q HA 0.125 4.465 4.340 -0.000 0.000 0.271 154 Q C -0.140 176.039 176.000 0.299 0.000 1.026 154 Q CA -0.412 55.545 55.803 0.257 0.000 0.900 154 Q CB 1.109 29.966 28.738 0.198 0.000 1.266 154 Q HN 0.406 nan 8.270 nan 0.000 0.430 155 I N 1.984 122.735 120.570 0.302 0.000 2.683 155 I HA -0.115 4.055 4.170 -0.000 0.000 0.286 155 I C 1.111 177.366 176.117 0.230 0.000 1.175 155 I CA 0.726 62.216 61.300 0.315 0.000 1.429 155 I CB 0.340 38.564 38.000 0.374 0.000 1.371 155 I HN 0.493 nan 8.210 nan 0.000 0.569 156 R N 5.091 125.706 120.500 0.190 0.000 2.313 156 R HA 0.069 4.409 4.340 -0.000 0.000 0.199 156 R C -0.833 175.399 176.300 -0.113 0.000 0.958 156 R CA 0.446 56.541 56.100 -0.010 0.000 1.047 156 R CB -0.040 30.068 30.300 -0.319 0.000 0.955 156 R HN 0.528 nan 8.270 nan 0.000 0.481 157 Y N -0.665 119.716 120.300 0.136 0.000 2.391 157 Y HA 0.373 4.923 4.550 -0.000 0.000 0.341 157 Y C -0.090 176.009 175.900 0.331 0.000 0.965 157 Y CA -0.874 57.316 58.100 0.150 0.000 1.067 157 Y CB 1.476 40.013 38.460 0.129 0.000 1.199 157 Y HN -0.071 nan 8.280 nan 0.000 0.450 158 H N 0.036 119.358 119.070 0.420 0.000 2.622 158 H HA 0.498 5.054 4.556 -0.000 0.000 0.363 158 H C -0.916 174.652 175.328 0.401 0.000 1.151 158 H CA -1.145 55.159 56.048 0.428 0.000 1.184 158 H CB 2.242 32.357 29.762 0.588 0.000 1.643 158 H HN 0.527 nan 8.280 nan 0.000 0.531 159 S N 2.512 118.555 115.700 0.572 0.000 2.420 159 S HA 0.392 4.862 4.470 -0.000 0.000 0.313 159 S C -0.890 174.100 174.600 0.649 0.000 1.079 159 S CA -0.640 57.893 58.200 0.555 0.000 1.104 159 S CB -0.062 63.511 63.200 0.622 0.000 0.969 159 S HN 0.348 nan 8.310 nan 0.000 0.471 160 V N 6.011 126.266 119.914 0.570 0.000 2.540 160 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 160 V C -0.586 175.781 176.094 0.456 0.000 1.035 160 V CA -0.928 61.672 62.300 0.499 0.000 0.873 160 V CB 1.581 33.660 31.823 0.426 0.000 0.992 160 V HN 0.817 nan 8.190 nan 0.000 0.428 161 L N 3.906 125.395 121.223 0.443 0.000 2.265 161 L HA 0.604 4.944 4.340 -0.000 0.000 0.289 161 L C -0.296 176.716 176.870 0.235 0.000 1.033 161 L CA 0.044 55.111 54.840 0.378 0.000 0.814 161 L CB 1.169 43.511 42.059 0.471 0.000 1.203 161 L HN 0.729 nan 8.230 nan 0.000 0.423 162 D N 4.161 124.666 120.400 0.176 0.000 2.312 162 D HA 0.182 4.822 4.640 -0.000 0.000 0.252 162 D C 0.496 176.848 176.300 0.086 0.000 1.150 162 D CA 0.187 54.251 54.000 0.106 0.000 0.870 162 D CB 0.888 41.737 40.800 0.082 0.000 1.153 162 D HN 0.642 nan 8.370 nan 0.000 0.457 163 L N 2.362 123.619 121.223 0.057 0.000 2.693 163 L HA 0.181 4.521 4.340 -0.000 0.000 0.235 163 L C 0.829 177.711 176.870 0.019 0.000 1.127 163 L CA -0.448 54.413 54.840 0.036 0.000 0.914 163 L CB -0.155 41.916 42.059 0.020 0.000 1.193 163 L HN 0.202 nan 8.230 nan 0.000 0.502 164 K N 1.592 122.005 120.400 0.020 0.000 2.491 164 K HA -0.094 4.226 4.320 -0.000 0.000 0.279 164 K C 0.191 176.799 176.600 0.014 0.000 1.026 164 K CA 0.659 56.956 56.287 0.015 0.000 1.070 164 K CB -0.118 32.395 32.500 0.021 0.000 0.887 164 K HN 0.090 nan 8.250 nan 0.000 0.481 165 D N 1.884 122.288 120.400 0.007 0.000 2.945 165 D HA -0.202 4.438 4.640 -0.000 0.000 0.225 165 D C -0.876 175.428 176.300 0.007 0.000 1.158 165 D CA 1.121 55.124 54.000 0.005 0.000 0.805 165 D CB -0.743 40.062 40.800 0.009 0.000 1.098 165 D HN 0.593 nan 8.370 nan 0.000 0.426 166 K N -0.372 120.032 120.400 0.007 0.000 2.328 166 K HA 0.606 4.926 4.320 -0.000 0.000 0.246 166 K C 0.457 177.058 176.600 0.001 0.000 0.955 166 K CA -0.664 55.631 56.287 0.013 0.000 0.817 166 K CB 1.939 34.456 32.500 0.028 0.000 1.208 166 K HN 0.076 nan 8.250 nan 0.000 0.432 167 T N -2.110 112.450 114.554 0.011 0.000 2.937 167 T HA 0.449 4.799 4.350 -0.000 0.000 0.283 167 T C 1.167 175.887 174.700 0.034 0.000 1.012 167 T CA -0.478 61.624 62.100 0.003 0.000 0.997 167 T CB 1.584 70.458 68.868 0.010 0.000 1.136 167 T HN 0.499 nan 8.240 nan 0.000 0.551 168 A N 0.553 123.393 122.820 0.034 0.000 1.940 168 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 168 A C 1.942 179.680 177.584 0.256 0.000 1.176 168 A CA 1.777 53.897 52.037 0.138 0.000 0.631 168 A CB -1.109 17.954 19.000 0.105 0.000 0.814 168 A HN 0.892 nan 8.150 nan 0.000 0.446 169 D N 0.255 120.743 120.400 0.146 0.000 2.144 169 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 169 D C 1.278 177.628 176.300 0.083 0.000 0.984 169 D CA 1.295 55.359 54.000 0.106 0.000 0.834 169 D CB -0.381 40.455 40.800 0.060 0.000 0.955 169 D HN 0.405 nan 8.370 nan 0.000 0.465 170 D N 0.497 120.942 120.400 0.075 0.000 2.117 170 D HA -0.107 4.532 4.640 -0.000 0.000 0.197 170 D C 2.205 178.554 176.300 0.083 0.000 0.987 170 D CA 0.359 54.395 54.000 0.060 0.000 0.829 170 D CB -0.029 40.800 40.800 0.049 0.000 0.961 170 D HN 0.173 nan 8.370 nan 0.000 0.460 171 I N 1.082 121.731 120.570 0.131 0.000 2.179 171 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 171 I C 2.591 178.804 176.117 0.159 0.000 1.088 171 I CA 0.741 62.148 61.300 0.178 0.000 1.357 171 I CB -0.891 37.263 38.000 0.257 0.000 1.051 171 I HN 0.027 nan 8.210 nan 0.000 0.409 172 I N 0.572 121.227 120.570 0.142 0.000 2.286 172 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 172 I C 2.578 178.672 176.117 -0.037 0.000 1.115 172 I CA 1.206 62.495 61.300 -0.020 0.000 1.392 172 I CB -0.309 37.628 38.000 -0.106 0.000 1.065 172 I HN 0.215 nan 8.210 nan 0.000 0.418 173 K N 0.888 121.287 120.400 -0.001 0.000 2.147 173 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 173 K C 1.437 178.027 176.600 -0.016 0.000 1.049 173 K CA 1.329 57.607 56.287 -0.015 0.000 0.936 173 K CB 0.069 32.569 32.500 0.000 0.000 0.722 173 K HN 0.268 nan 8.250 nan 0.000 0.446 174 N N 0.171 118.875 118.700 0.007 0.000 2.398 174 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 174 N C 0.134 175.633 175.510 -0.018 0.000 1.122 174 N CA 0.399 53.453 53.050 0.007 0.000 0.866 174 N CB 0.133 38.643 38.487 0.040 0.000 0.970 174 N HN 0.213 nan 8.380 nan 0.000 0.462 175 M N 1.011 120.579 119.600 -0.053 0.000 2.226 175 M HA 0.021 4.500 4.480 -0.000 0.000 0.324 175 M C 0.375 176.592 176.300 -0.138 0.000 1.112 175 M CA -0.395 54.824 55.300 -0.134 0.000 1.176 175 M CB 0.500 32.965 32.600 -0.225 0.000 1.430 175 M HN 0.052 nan 8.290 nan 0.000 0.462 176 D N 0.955 121.253 120.400 -0.169 0.000 2.383 176 D HA 0.169 4.809 4.640 -0.000 0.000 0.248 176 D C 1.129 177.343 176.300 -0.144 0.000 1.170 176 D CA -0.292 53.630 54.000 -0.130 0.000 0.977 176 D CB 0.112 40.843 40.800 -0.114 0.000 1.120 176 D HN 0.685 nan 8.370 nan 0.000 0.481 177 G N -0.313 108.422 108.800 -0.109 0.000 2.513 177 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 177 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 177 G C 1.292 176.108 174.900 -0.140 0.000 1.160 177 G CA 1.173 46.206 45.100 -0.111 0.000 0.767 177 G HN 0.441 nan 8.290 nan 0.000 0.571 178 L N 0.280 121.426 121.223 -0.128 0.000 2.017 178 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 178 L C 2.912 179.639 176.870 -0.238 0.000 1.073 178 L CA 1.789 56.546 54.840 -0.139 0.000 0.745 178 L CB -0.507 41.514 42.059 -0.063 0.000 0.894 178 L HN 0.065 nan 8.230 nan 0.000 0.432 179 R N -0.268 120.073 120.500 -0.265 0.000 2.075 179 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 179 R C 2.284 178.338 176.300 -0.410 0.000 1.126 179 R CA 1.448 57.316 56.100 -0.386 0.000 0.963 179 R CB -0.551 29.376 30.300 -0.622 0.000 0.858 179 R HN 0.357 nan 8.270 nan 0.000 0.435 180 K N 0.474 120.680 120.400 -0.322 0.000 2.026 180 K HA -0.184 4.135 4.320 -0.000 0.000 0.208 180 K C 2.183 178.608 176.600 -0.292 0.000 1.048 180 K CA 1.659 57.773 56.287 -0.288 0.000 0.929 180 K CB -0.047 32.329 32.500 -0.207 0.000 0.713 180 K HN 0.029 nan 8.250 nan 0.000 0.439 181 R N 0.623 120.965 120.500 -0.262 0.000 2.083 181 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 181 R C 1.761 177.879 176.300 -0.302 0.000 1.137 181 R CA 2.335 58.294 56.100 -0.236 0.000 0.951 181 R CB -0.303 29.886 30.300 -0.186 0.000 0.851 181 R HN 0.341 nan 8.270 nan 0.000 0.434 182 N N -1.113 117.308 118.700 -0.465 0.000 2.188 182 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 182 N C 1.388 176.597 175.510 -0.502 0.000 1.018 182 N CA 1.708 54.370 53.050 -0.648 0.000 0.858 182 N CB 0.037 37.624 38.487 -1.500 0.000 0.989 182 N HN 0.216 nan 8.380 nan 0.000 0.426 183 T N 0.836 115.115 114.554 -0.458 0.000 2.777 183 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 183 T C 1.628 176.109 174.700 -0.366 0.000 1.040 183 T CA 1.007 62.889 62.100 -0.363 0.000 1.141 183 T CB -0.054 68.520 68.868 -0.490 0.000 0.868 183 T HN 0.201 nan 8.240 nan 0.000 0.444 184 K N 0.996 121.201 120.400 -0.326 0.000 2.097 184 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 184 K C 2.396 178.901 176.600 -0.159 0.000 1.049 184 K CA 0.979 57.124 56.287 -0.236 0.000 0.933 184 K CB -0.105 32.282 32.500 -0.187 0.000 0.717 184 K HN 0.232 nan 8.250 nan 0.000 0.442 185 K N 1.332 121.640 120.400 -0.154 0.000 2.009 185 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 185 K C 2.030 178.606 176.600 -0.039 0.000 1.049 185 K CA 2.007 58.243 56.287 -0.085 0.000 0.929 185 K CB -0.147 32.300 32.500 -0.088 0.000 0.714 185 K HN 0.114 nan 8.250 nan 0.000 0.440 186 V N -0.961 118.930 119.914 -0.039 0.000 2.626 186 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 186 V C 1.889 177.982 176.094 -0.002 0.000 1.067 186 V CA 1.521 63.826 62.300 0.009 0.000 1.081 186 V CB -0.648 31.209 31.823 0.057 0.000 0.686 186 V HN 0.231 nan 8.190 nan 0.000 0.468 187 K N 0.809 121.186 120.400 -0.037 0.000 2.281 187 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 187 K C 1.540 178.143 176.600 0.005 0.000 1.046 187 K CA 1.407 57.689 56.287 -0.010 0.000 0.938 187 K CB -0.066 32.404 32.500 -0.051 0.000 0.737 187 K HN 0.537 nan 8.250 nan 0.000 0.458 188 K N 0.695 121.096 120.400 0.003 0.000 3.365 188 K HA 0.041 4.361 4.320 -0.000 0.000 0.187 188 K C -0.409 176.223 176.600 0.053 0.000 1.062 188 K CA -0.016 56.285 56.287 0.023 0.000 0.882 188 K CB 0.278 32.785 32.500 0.013 0.000 0.750 188 K HN 0.022 nan 8.250 nan 0.000 0.479 189 N N -0.381 118.359 118.700 0.066 0.000 2.240 189 N HA 0.104 4.843 4.740 -0.000 0.000 0.240 189 N C 0.713 176.309 175.510 0.143 0.000 1.277 189 N CA 0.487 53.616 53.050 0.133 0.000 0.873 189 N CB 1.083 39.656 38.487 0.142 0.000 1.222 189 N HN 0.345 nan 8.380 nan 0.000 0.507 190 G N -0.235 108.609 108.800 0.073 0.000 2.175 190 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 190 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 190 G C -0.323 174.412 174.900 -0.274 0.000 0.982 190 G CA 0.260 45.356 45.100 -0.007 0.000 0.641 190 G HN 0.280 nan 8.290 nan 0.000 0.527 191 V N 1.248 121.011 119.914 -0.252 0.000 2.583 191 V HA 0.545 4.665 4.120 -0.000 0.000 0.287 191 V C 0.615 176.483 176.094 -0.377 0.000 1.051 191 V CA 0.198 62.276 62.300 -0.370 0.000 1.010 191 V CB 1.489 33.177 31.823 -0.226 0.000 0.988 191 V HN 0.368 nan 8.190 nan 0.000 0.478 192 K N 2.806 122.815 120.400 -0.651 0.000 2.350 192 K HA 0.832 5.152 4.320 -0.000 0.000 0.241 192 K C -1.616 174.638 176.600 -0.577 0.000 0.994 192 K CA -0.841 55.071 56.287 -0.624 0.000 0.839 192 K CB 2.560 34.604 32.500 -0.760 0.000 1.244 192 K HN 0.365 nan 8.250 nan 0.000 0.443 193 V N 2.145 121.909 119.914 -0.251 0.000 2.531 193 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 193 V C -0.642 175.375 176.094 -0.129 0.000 1.034 193 V CA -0.816 61.394 62.300 -0.150 0.000 0.865 193 V CB 1.600 33.287 31.823 -0.226 0.000 0.995 193 V HN 0.812 nan 8.190 nan 0.000 0.424 194 R N 3.075 123.512 120.500 -0.104 0.000 2.867 194 R HA 0.744 5.084 4.340 -0.000 0.000 0.268 194 R C -1.815 174.215 176.300 -0.450 0.000 1.014 194 R CA -0.742 55.224 56.100 -0.224 0.000 0.946 194 R CB 1.860 32.133 30.300 -0.046 0.000 1.208 194 R HN 0.369 nan 8.270 nan 0.000 0.477 195 F N 1.473 121.428 119.950 0.009 0.000 2.427 195 F HA 0.406 4.933 4.527 -0.000 0.000 0.346 195 F C 0.209 175.995 175.800 -0.024 0.000 1.120 195 F CA -0.975 57.012 58.000 -0.021 0.000 1.033 195 F CB 1.499 40.473 39.000 -0.043 0.000 1.126 195 F HN 0.108 nan 8.300 nan 0.000 0.462 196 L N 2.953 124.254 121.223 0.130 0.000 2.397 196 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 196 L C 0.313 177.227 176.870 0.075 0.000 1.148 196 L CA -0.233 54.658 54.840 0.086 0.000 0.825 196 L CB 0.903 43.022 42.059 0.099 0.000 1.117 196 L HN 0.643 nan 8.230 nan 0.000 0.456 197 S N 0.500 116.237 115.700 0.062 0.000 2.738 197 S HA 0.106 4.576 4.470 -0.000 0.000 0.284 197 S C 0.936 175.579 174.600 0.072 0.000 1.146 197 S CA -0.744 57.483 58.200 0.046 0.000 0.997 197 S CB 1.607 64.828 63.200 0.036 0.000 1.081 197 S HN 0.689 nan 8.310 nan 0.000 0.553 198 E N 1.578 121.820 120.200 0.070 0.000 2.085 198 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 198 E C 1.711 178.407 176.600 0.160 0.000 0.994 198 E CA 1.537 58.017 56.400 0.133 0.000 0.801 198 E CB -0.196 29.583 29.700 0.132 0.000 0.743 198 E HN 0.717 nan 8.360 nan 0.000 0.453 199 E N 0.731 121.000 120.200 0.114 0.000 2.333 199 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 199 E C 0.780 177.434 176.600 0.090 0.000 1.007 199 E CA 1.040 57.498 56.400 0.096 0.000 0.845 199 E CB -0.277 29.462 29.700 0.066 0.000 0.766 199 E HN 0.446 nan 8.360 nan 0.000 0.507 200 E N 0.113 120.371 120.200 0.097 0.000 2.501 200 E HA 0.085 4.435 4.350 -0.000 0.000 0.201 200 E C 1.419 178.107 176.600 0.147 0.000 1.016 200 E CA -0.331 56.127 56.400 0.096 0.000 0.920 200 E CB 0.092 29.834 29.700 0.070 0.000 1.023 200 E HN 0.035 nan 8.360 nan 0.000 0.474 201 L N 2.745 124.075 121.223 0.178 0.000 2.129 201 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 201 L C -0.799 176.223 176.870 0.253 0.000 1.087 201 L CA 1.941 56.930 54.840 0.248 0.000 0.757 201 L CB -0.710 41.515 42.059 0.277 0.000 0.896 201 L HN 0.089 nan 8.230 nan 0.000 0.434 202 P HA -0.167 nan 4.420 nan 0.000 0.222 202 P C 2.063 179.417 177.300 0.091 0.000 1.147 202 P CA 1.459 64.626 63.100 0.113 0.000 0.790 202 P CB -0.000 31.743 31.700 0.072 0.000 0.780 203 I N -1.154 119.495 120.570 0.132 0.000 2.179 203 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 203 I C 2.506 178.774 176.117 0.252 0.000 1.088 203 I CA 1.405 62.787 61.300 0.137 0.000 1.357 203 I CB -0.759 37.345 38.000 0.173 0.000 1.051 203 I HN -0.134 nan 8.210 nan 0.000 0.409 204 F N 2.257 122.325 119.950 0.196 0.000 2.134 204 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 204 F C 2.674 178.573 175.800 0.164 0.000 1.097 204 F CA 1.521 59.668 58.000 0.245 0.000 1.264 204 F CB -0.352 38.723 39.000 0.124 0.000 1.001 204 F HN -0.134 nan 8.300 nan 0.000 0.479 205 R N 0.595 121.017 120.500 -0.130 0.000 2.127 205 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 205 R C 2.518 178.671 176.300 -0.245 0.000 1.134 205 R CA 1.428 57.370 56.100 -0.264 0.000 0.975 205 R CB -1.288 28.997 30.300 -0.025 0.000 0.865 205 R HN 0.540 nan 8.270 nan 0.000 0.447 206 S N 0.187 115.762 115.700 -0.208 0.000 2.419 206 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 206 S C 1.757 176.118 174.600 -0.398 0.000 1.016 206 S CA 0.923 58.942 58.200 -0.301 0.000 0.974 206 S CB -0.433 62.537 63.200 -0.384 0.000 0.786 206 S HN 0.261 nan 8.310 nan 0.000 0.492 207 F N 1.200 121.013 119.950 -0.228 0.000 2.615 207 F HA 0.344 4.871 4.527 -0.000 0.000 0.297 207 F C 1.510 177.158 175.800 -0.254 0.000 1.124 207 F CA -0.035 57.840 58.000 -0.207 0.000 1.451 207 F CB -0.194 38.690 39.000 -0.193 0.000 1.103 207 F HN 0.162 nan 8.300 nan 0.000 0.569 222 D N -0.135 120.381 120.400 0.193 0.000 2.123 222 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 222 D C 1.186 177.658 176.300 0.287 0.000 0.976 222 D CA 0.844 54.996 54.000 0.253 0.000 0.831 222 D CB 0.169 41.061 40.800 0.155 0.000 0.974 222 D HN 0.272 nan 8.370 nan 0.000 0.469 223 K N 0.310 120.838 120.400 0.214 0.000 2.283 223 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 223 K C 1.963 178.705 176.600 0.236 0.000 1.048 223 K CA 0.166 56.587 56.287 0.223 0.000 0.948 223 K CB -0.174 32.418 32.500 0.154 0.000 0.742 223 K HN 0.098 nan 8.250 nan 0.000 0.458 224 F N 0.982 120.946 119.950 0.023 0.000 2.065 224 F HA -0.316 4.211 4.527 -0.000 0.000 0.298 224 F C 1.789 177.484 175.800 -0.173 0.000 1.112 224 F CA 1.642 59.565 58.000 -0.128 0.000 1.212 224 F CB -0.341 38.470 39.000 -0.315 0.000 0.975 224 F HN -0.034 nan 8.300 nan 0.000 0.476 225 Y N -1.694 118.732 120.300 0.210 0.000 2.200 225 Y HA -0.238 4.312 4.550 -0.000 0.000 0.290 225 Y C 2.371 178.329 175.900 0.096 0.000 1.137 225 Y CA 1.737 59.824 58.100 -0.021 0.000 1.163 225 Y CB -1.092 37.353 38.460 -0.025 0.000 0.988 225 Y HN 0.242 nan 8.280 nan 0.000 0.518 226 Y N 1.490 121.913 120.300 0.206 0.000 2.128 226 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 226 Y C 2.040 177.979 175.900 0.064 0.000 1.154 226 Y CA 1.770 59.954 58.100 0.140 0.000 1.149 226 Y CB -0.554 37.978 38.460 0.120 0.000 0.976 226 Y HN 0.062 nan 8.280 nan 0.000 0.505 227 N N 0.183 118.922 118.700 0.066 0.000 2.223 227 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 227 N C 1.774 177.212 175.510 -0.121 0.000 1.016 227 N CA 1.140 54.199 53.050 0.015 0.000 0.863 227 N CB -0.252 38.297 38.487 0.103 0.000 0.983 227 N HN 0.349 nan 8.380 nan 0.000 0.429 228 R N 0.939 121.264 120.500 -0.291 0.000 2.066 228 R HA 0.038 4.378 4.340 -0.000 0.000 0.232 228 R C 2.362 178.515 176.300 -0.245 0.000 1.131 228 R CA 0.419 56.202 56.100 -0.528 0.000 0.955 228 R CB -1.111 28.981 30.300 -0.347 0.000 0.851 228 R HN 0.305 nan 8.270 nan 0.000 0.432 229 L N 0.921 122.098 121.223 -0.076 0.000 2.012 229 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 229 L C 2.758 179.498 176.870 -0.217 0.000 1.073 229 L CA 1.629 56.404 54.840 -0.109 0.000 0.748 229 L CB -0.467 41.538 42.059 -0.090 0.000 0.891 229 L HN 0.219 nan 8.230 nan 0.000 0.431 230 K N -0.437 119.725 120.400 -0.398 0.000 2.026 230 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 230 K C 2.050 178.345 176.600 -0.509 0.000 1.048 230 K CA 1.830 57.788 56.287 -0.548 0.000 0.929 230 K CB -0.159 31.835 32.500 -0.843 0.000 0.713 230 K HN 0.216 nan 8.250 nan 0.000 0.439 231 Y N -1.661 118.573 120.300 -0.111 0.000 2.476 231 Y HA -0.029 4.521 4.550 -0.000 0.000 0.283 231 Y C 1.717 177.730 175.900 0.188 0.000 1.109 231 Y CA 0.230 58.338 58.100 0.013 0.000 1.246 231 Y CB 0.182 38.644 38.460 0.003 0.000 1.068 231 Y HN 0.071 nan 8.280 nan 0.000 0.552 232 Y N 0.412 120.737 120.300 0.042 0.000 2.475 232 Y HA -0.007 4.543 4.550 -0.000 0.000 0.289 232 Y C 1.430 177.309 175.900 -0.035 0.000 1.121 232 Y CA -0.169 57.933 58.100 0.003 0.000 1.257 232 Y CB -0.526 37.920 38.460 -0.023 0.000 1.026 232 Y HN 0.049 nan 8.280 nan 0.000 0.555 233 K N -0.378 120.075 120.400 0.089 0.000 2.554 233 K HA -0.320 4.000 4.320 -0.000 0.000 0.167 233 K C 0.873 177.456 176.600 -0.028 0.000 0.814 233 K CA 2.050 58.333 56.287 -0.006 0.000 0.416 233 K CB -1.491 31.002 32.500 -0.011 0.000 0.752 233 K HN 0.368 nan 8.250 nan 0.000 0.770 234 D N 1.392 121.769 120.400 -0.037 0.000 2.349 234 D HA -0.070 4.570 4.640 -0.000 0.000 0.224 234 D C 0.944 177.200 176.300 -0.074 0.000 1.029 234 D CA 0.785 54.742 54.000 -0.071 0.000 0.879 234 D CB -0.103 40.656 40.800 -0.068 0.000 0.906 234 D HN 0.307 nan 8.370 nan 0.000 0.528 235 R N 0.247 120.726 120.500 -0.035 0.000 2.391 235 R HA 0.265 4.605 4.340 -0.000 0.000 0.249 235 R C -0.120 176.188 176.300 0.015 0.000 0.957 235 R CA -0.106 55.968 56.100 -0.045 0.000 1.093 235 R CB 1.026 31.270 30.300 -0.093 0.000 1.156 235 R HN 0.068 nan 8.270 nan 0.000 0.526 236 V N 0.805 120.704 119.914 -0.025 0.000 2.808 236 V HA 0.524 4.644 4.120 -0.000 0.000 0.308 236 V C -1.632 174.297 176.094 -0.275 0.000 1.099 236 V CA -0.825 61.411 62.300 -0.107 0.000 0.920 236 V CB 2.384 34.181 31.823 -0.043 0.000 1.014 236 V HN 0.055 nan 8.190 nan 0.000 0.425 237 L N 5.574 126.579 121.223 -0.363 0.000 2.409 237 L HA 0.669 5.009 4.340 -0.000 0.000 0.262 237 L C -1.062 175.672 176.870 -0.226 0.000 0.992 237 L CA -0.882 53.790 54.840 -0.281 0.000 0.817 237 L CB 2.618 44.470 42.059 -0.346 0.000 1.350 237 L HN 0.459 nan 8.230 nan 0.000 0.411 238 V N 2.834 122.716 119.914 -0.053 0.000 2.260 238 V HA 0.238 4.358 4.120 -0.000 0.000 0.263 238 V C -2.185 173.982 176.094 0.121 0.000 1.036 238 V CA -1.304 60.971 62.300 -0.042 0.000 0.874 238 V CB 0.793 32.545 31.823 -0.120 0.000 1.116 238 V HN 0.518 nan 8.190 nan 0.000 0.454 239 P HA 0.227 nan 4.420 nan 0.000 0.271 239 P C -0.789 176.491 177.300 -0.032 0.000 1.216 239 P CA -0.187 62.848 63.100 -0.109 0.000 0.776 239 P CB 2.103 33.697 31.700 -0.177 0.000 0.881 240 L N 3.043 124.216 121.223 -0.085 0.000 2.376 240 L HA 0.697 5.037 4.340 -0.000 0.000 0.275 240 L C -0.768 176.131 176.870 0.049 0.000 0.987 240 L CA -0.844 54.000 54.840 0.008 0.000 0.828 240 L CB 1.554 43.650 42.059 0.062 0.000 1.249 240 L HN 0.423 nan 8.230 nan 0.000 0.409 241 A N 4.841 127.656 122.820 -0.008 0.000 2.309 241 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 241 A C -1.191 176.401 177.584 0.014 0.000 1.165 241 A CA -0.054 51.953 52.037 -0.051 0.000 0.821 241 A CB 0.169 19.120 19.000 -0.082 0.000 1.102 241 A HN 0.997 nan 8.150 nan 0.000 0.500 242 Y N -0.767 119.414 120.300 -0.198 0.000 2.725 242 Y HA 0.758 5.308 4.550 -0.000 0.000 0.333 242 Y C -1.411 174.250 175.900 -0.399 0.000 1.242 242 Y CA -1.576 56.366 58.100 -0.264 0.000 1.059 242 Y CB 0.963 39.308 38.460 -0.193 0.000 1.306 242 Y HN 0.464 nan 8.280 nan 0.000 0.454 243 I N 2.040 122.314 120.570 -0.494 0.000 2.436 243 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 243 I C -1.117 174.647 176.117 -0.589 0.000 1.010 243 I CA -0.689 60.132 61.300 -0.800 0.000 1.098 243 I CB 2.007 39.222 38.000 -1.308 0.000 1.266 243 I HN 0.742 nan 8.210 nan 0.000 0.434 244 N N 4.698 123.179 118.700 -0.365 0.000 2.485 244 N HA 0.315 5.055 4.740 -0.000 0.000 0.243 244 N C 0.449 175.847 175.510 -0.186 0.000 0.987 244 N CA -0.418 52.550 53.050 -0.137 0.000 0.940 244 N CB 0.649 39.179 38.487 0.072 0.000 1.122 244 N HN 0.429 nan 8.380 nan 0.000 0.509 245 F N 1.552 121.540 119.950 0.063 0.000 2.171 245 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 245 F C 1.909 177.792 175.800 0.138 0.000 1.090 245 F CA 0.685 58.762 58.000 0.128 0.000 1.293 245 F CB 0.098 39.160 39.000 0.103 0.000 1.013 245 F HN 0.531 nan 8.300 nan 0.000 0.486 246 D N 0.370 120.916 120.400 0.243 0.000 2.104 246 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 246 D C 2.049 178.427 176.300 0.130 0.000 0.994 246 D CA 1.426 55.522 54.000 0.160 0.000 0.830 246 D CB -0.374 40.493 40.800 0.112 0.000 0.959 246 D HN 0.426 nan 8.370 nan 0.000 0.452 247 E N -0.592 119.678 120.200 0.116 0.000 2.107 247 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 247 E C 2.019 178.697 176.600 0.130 0.000 0.982 247 E CA 0.421 56.877 56.400 0.093 0.000 0.809 247 E CB -0.165 29.575 29.700 0.067 0.000 0.756 247 E HN 0.318 nan 8.360 nan 0.000 0.459 248 Y N 1.750 122.052 120.300 0.003 0.000 2.114 248 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 248 Y C 1.972 177.914 175.900 0.070 0.000 1.143 248 Y CA 1.345 59.453 58.100 0.014 0.000 1.135 248 Y CB -0.328 38.127 38.460 -0.008 0.000 0.980 248 Y HN -0.085 nan 8.280 nan 0.000 0.499 249 I N 0.443 121.052 120.570 0.064 0.000 2.286 249 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 249 I C 2.581 178.671 176.117 -0.044 0.000 1.115 249 I CA 1.774 63.042 61.300 -0.053 0.000 1.392 249 I CB -0.483 37.556 38.000 0.065 0.000 1.065 249 I HN 0.195 nan 8.210 nan 0.000 0.418 250 K N 1.482 121.889 120.400 0.011 0.000 2.026 250 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 250 K C 1.943 178.535 176.600 -0.013 0.000 1.048 250 K CA 1.726 58.017 56.287 0.008 0.000 0.929 250 K CB -0.048 32.469 32.500 0.029 0.000 0.713 250 K HN 0.293 nan 8.250 nan 0.000 0.439 251 E N 0.681 120.874 120.200 -0.012 0.000 2.085 251 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 251 E C 2.103 178.671 176.600 -0.053 0.000 0.994 251 E CA 1.457 57.847 56.400 -0.016 0.000 0.801 251 E CB -0.090 29.618 29.700 0.014 0.000 0.743 251 E HN 0.302 nan 8.360 nan 0.000 0.453 252 L N 1.093 122.241 121.223 -0.125 0.000 2.083 252 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 252 L C 2.157 178.983 176.870 -0.074 0.000 1.083 252 L CA 0.718 55.476 54.840 -0.136 0.000 0.752 252 L CB -0.364 41.546 42.059 -0.249 0.000 0.899 252 L HN 0.180 nan 8.230 nan 0.000 0.433 253 N N -0.040 118.625 118.700 -0.058 0.000 2.244 253 N HA -0.155 4.584 4.740 -0.000 0.000 0.183 253 N C 1.674 177.172 175.510 -0.021 0.000 1.016 253 N CA 1.089 54.120 53.050 -0.032 0.000 0.866 253 N CB 0.016 38.490 38.487 -0.021 0.000 0.980 253 N HN 0.478 nan 8.380 nan 0.000 0.430 254 E N 0.914 121.103 120.200 -0.018 0.000 2.106 254 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 254 E C 1.501 178.095 176.600 -0.010 0.000 0.984 254 E CA 0.746 57.140 56.400 -0.010 0.000 0.806 254 E CB -0.026 29.672 29.700 -0.004 0.000 0.750 254 E HN 0.494 nan 8.360 nan 0.000 0.458 255 E N 0.776 120.966 120.200 -0.015 0.000 2.107 255 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 255 E C 2.147 178.740 176.600 -0.012 0.000 0.982 255 E CA 0.426 56.819 56.400 -0.012 0.000 0.809 255 E CB -0.066 29.626 29.700 -0.014 0.000 0.756 255 E HN 0.090 nan 8.360 nan 0.000 0.459 256 R N 1.107 121.597 120.500 -0.017 0.000 2.081 256 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 256 R C 1.595 177.890 176.300 -0.009 0.000 1.131 256 R CA 1.729 57.821 56.100 -0.013 0.000 0.960 256 R CB 0.022 30.313 30.300 -0.016 0.000 0.856 256 R HN 0.089 nan 8.270 nan 0.000 0.436 257 D N 0.581 120.977 120.400 -0.008 0.000 2.104 257 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 257 D C 1.943 178.240 176.300 -0.004 0.000 0.994 257 D CA 1.460 55.457 54.000 -0.005 0.000 0.830 257 D CB -0.209 40.588 40.800 -0.004 0.000 0.959 257 D HN 0.346 nan 8.370 nan 0.000 0.452 258 I N 0.646 121.213 120.570 -0.004 0.000 2.226 258 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 258 I C 2.508 178.623 176.117 -0.004 0.000 1.100 258 I CA 0.682 61.980 61.300 -0.004 0.000 1.374 258 I CB -0.197 37.801 38.000 -0.003 0.000 1.057 258 I HN -0.012 nan 8.210 nan 0.000 0.413 259 L N 0.391 121.612 121.223 -0.004 0.000 2.046 259 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 259 L C 2.357 179.225 176.870 -0.004 0.000 1.077 259 L CA 1.273 56.110 54.840 -0.004 0.000 0.747 259 L CB -0.728 41.329 42.059 -0.004 0.000 0.896 259 L HN 0.343 nan 8.230 nan 0.000 0.432 260 N N 0.200 118.898 118.700 -0.004 0.000 2.120 260 N HA -0.215 4.525 4.740 -0.000 0.000 0.188 260 N C 1.794 177.301 175.510 -0.005 0.000 1.024 260 N CA 1.230 54.278 53.050 -0.004 0.000 0.852 260 N CB -0.118 38.366 38.487 -0.004 0.000 1.003 260 N HN 0.327 nan 8.380 nan 0.000 0.424 261 K N 0.887 121.284 120.400 -0.005 0.000 2.057 261 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 261 K C 1.005 177.601 176.600 -0.007 0.000 1.049 261 K CA 1.283 57.566 56.287 -0.005 0.000 0.931 261 K CB 0.111 32.608 32.500 -0.004 0.000 0.714 261 K HN 0.044 nan 8.250 nan 0.000 0.440 262 D N 0.877 121.273 120.400 -0.006 0.000 2.144 262 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 262 D C 1.915 178.209 176.300 -0.010 0.000 0.978 262 D CA 0.688 54.683 54.000 -0.008 0.000 0.833 262 D CB -0.092 40.704 40.800 -0.006 0.000 0.961 262 D HN 0.155 nan 8.370 nan 0.000 0.470 263 L N 1.665 122.883 121.223 -0.008 0.000 2.042 263 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 263 L C 1.575 178.438 176.870 -0.012 0.000 1.076 263 L CA 1.646 56.480 54.840 -0.008 0.000 0.749 263 L CB -0.660 41.396 42.059 -0.005 0.000 0.893 263 L HN -0.089 nan 8.230 nan 0.000 0.432 264 N N -0.101 118.593 118.700 -0.010 0.000 2.244 264 N HA -0.173 4.566 4.740 -0.000 0.000 0.183 264 N C 1.735 177.235 175.510 -0.016 0.000 1.016 264 N CA 1.291 54.334 53.050 -0.012 0.000 0.866 264 N CB -0.148 38.334 38.487 -0.009 0.000 0.980 264 N HN 0.490 nan 8.380 nan 0.000 0.430 265 K N 1.038 121.429 120.400 -0.016 0.000 2.026 265 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 265 K C 2.159 178.743 176.600 -0.027 0.000 1.048 265 K CA 1.256 57.532 56.287 -0.018 0.000 0.929 265 K CB -0.147 32.344 32.500 -0.016 0.000 0.713 265 K HN 0.096 nan 8.250 nan 0.000 0.439 266 A N 1.572 124.376 122.820 -0.028 0.000 1.908 266 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 266 A C 2.157 179.707 177.584 -0.055 0.000 1.181 266 A CA 1.416 53.429 52.037 -0.041 0.000 0.627 266 A CB -0.743 18.238 19.000 -0.032 0.000 0.818 266 A HN 0.170 nan 8.150 nan 0.000 0.445 267 L N -0.912 120.287 121.223 -0.041 0.000 2.083 267 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 267 L C 2.586 179.430 176.870 -0.044 0.000 1.083 267 L CA 1.701 56.517 54.840 -0.041 0.000 0.752 267 L CB -0.454 41.591 42.059 -0.022 0.000 0.899 267 L HN 0.352 nan 8.230 nan 0.000 0.433 268 K N 0.074 120.452 120.400 -0.035 0.000 2.057 268 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 268 K C 1.704 178.279 176.600 -0.042 0.000 1.049 268 K CA 1.746 58.015 56.287 -0.031 0.000 0.931 268 K CB -0.206 32.280 32.500 -0.023 0.000 0.714 268 K HN 0.235 nan 8.250 nan 0.000 0.440 269 D N 0.991 121.360 120.400 -0.051 0.000 2.104 269 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 269 D C 1.720 177.965 176.300 -0.091 0.000 0.994 269 D CA 1.061 55.024 54.000 -0.062 0.000 0.830 269 D CB -0.168 40.594 40.800 -0.064 0.000 0.959 269 D HN 0.148 nan 8.370 nan 0.000 0.452 270 I N 0.797 121.287 120.570 -0.133 0.000 2.567 270 I HA -0.212 3.958 4.170 -0.000 0.000 0.257 270 I C 1.990 178.046 176.117 -0.102 0.000 1.184 270 I CA 1.054 62.231 61.300 -0.204 0.000 1.451 270 I CB -0.204 37.627 38.000 -0.282 0.000 1.089 270 I HN 0.084 nan 8.210 nan 0.000 0.441 271 E N 0.987 121.151 120.200 -0.061 0.000 2.051 271 E HA -0.146 4.204 4.350 -0.000 0.000 0.189 271 E C 1.800 178.386 176.600 -0.023 0.000 0.979 271 E CA 0.800 57.183 56.400 -0.030 0.000 0.803 271 E CB 0.029 29.716 29.700 -0.021 0.000 0.761 271 E HN 0.442 nan 8.360 nan 0.000 0.451 272 K N 0.381 120.764 120.400 -0.029 0.000 2.525 272 K HA 0.063 4.383 4.320 -0.000 0.000 0.192 272 K C 0.360 176.948 176.600 -0.020 0.000 1.029 272 K CA 0.392 56.666 56.287 -0.021 0.000 1.029 272 K CB 0.292 32.780 32.500 -0.021 0.000 0.814 272 K HN -0.099 nan 8.250 nan 0.000 0.503 273 R N 0.242 120.725 120.500 -0.028 0.000 2.857 273 R HA 0.057 4.397 4.340 -0.000 0.000 0.216 273 R C -2.435 173.854 176.300 -0.018 0.000 1.555 273 R CA -0.611 55.478 56.100 -0.019 0.000 1.408 273 R CB 0.846 31.131 30.300 -0.025 0.000 1.553 273 R HN -0.043 nan 8.270 nan 0.000 0.708 274 P HA -0.210 nan 4.420 nan 0.000 0.229 274 P C 0.285 177.697 177.300 0.187 0.000 1.150 274 P CA 1.323 64.466 63.100 0.072 0.000 0.765 274 P CB 0.360 32.099 31.700 0.065 0.000 0.783 275 E N -1.393 118.876 120.200 0.114 0.000 2.489 275 E HA 0.033 4.383 4.350 -0.000 0.000 0.204 275 E C 0.543 177.222 176.600 0.132 0.000 1.006 275 E CA -0.477 55.997 56.400 0.124 0.000 0.936 275 E CB -0.604 29.132 29.700 0.061 0.000 1.002 275 E HN 0.000 nan 8.360 nan 0.000 0.488 276 N N 2.200 120.955 118.700 0.090 0.000 2.406 276 N HA -0.040 4.700 4.740 -0.000 0.000 0.274 276 N C 0.694 176.292 175.510 0.146 0.000 1.249 276 N CA 0.001 53.089 53.050 0.064 0.000 0.951 276 N CB 0.921 39.405 38.487 -0.006 0.000 1.241 276 N HN -0.025 nan 8.380 nan 0.000 0.485 277 K N 3.694 124.185 120.400 0.150 0.000 2.103 277 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 277 K C 1.544 178.216 176.600 0.120 0.000 1.048 277 K CA 1.572 57.957 56.287 0.162 0.000 0.930 277 K CB -0.020 32.524 32.500 0.073 0.000 0.716 277 K HN 0.552 nan 8.250 nan 0.000 0.444 278 K N -0.544 119.893 120.400 0.061 0.000 2.097 278 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 278 K C 1.863 178.474 176.600 0.018 0.000 1.049 278 K CA 1.314 57.621 56.287 0.033 0.000 0.933 278 K CB -0.246 32.263 32.500 0.015 0.000 0.717 278 K HN 0.209 nan 8.250 nan 0.000 0.442 279 A N 0.838 123.648 122.820 -0.016 0.000 1.930 279 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 279 A C 1.871 179.397 177.584 -0.096 0.000 1.175 279 A CA 1.323 53.310 52.037 -0.084 0.000 0.627 279 A CB -0.741 18.164 19.000 -0.159 0.000 0.815 279 A HN 0.388 nan 8.150 nan 0.000 0.443 280 H N 0.092 119.161 119.070 -0.002 0.000 2.357 280 H HA -0.072 4.484 4.556 -0.000 0.000 0.301 280 H C 1.803 177.129 175.328 -0.002 0.000 1.082 280 H CA 1.610 57.657 56.048 -0.002 0.000 1.342 280 H CB -0.160 29.601 29.762 -0.002 0.000 1.389 280 H HN 0.432 nan 8.280 nan 0.000 0.511 281 N N 1.008 119.781 118.700 0.122 0.000 2.166 281 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 281 N C 2.002 177.533 175.510 0.036 0.000 1.019 281 N CA 0.741 53.829 53.050 0.063 0.000 0.856 281 N CB -0.086 38.428 38.487 0.045 0.000 0.993 281 N HN 0.188 nan 8.380 nan 0.000 0.426 282 K N 1.884 122.297 120.400 0.021 0.000 2.057 282 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 282 K C 1.974 178.577 176.600 0.004 0.000 1.049 282 K CA 1.022 57.312 56.287 0.005 0.000 0.931 282 K CB -0.244 32.251 32.500 -0.009 0.000 0.714 282 K HN 0.083 nan 8.250 nan 0.000 0.440 283 R N 0.335 120.837 120.500 0.004 0.000 2.073 283 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 283 R C 1.199 177.510 176.300 0.018 0.000 1.134 283 R CA 2.127 58.231 56.100 0.006 0.000 0.952 283 R CB -0.431 29.873 30.300 0.007 0.000 0.850 283 R HN 0.199 nan 8.270 nan 0.000 0.433 284 D N 0.202 120.621 120.400 0.032 0.000 2.123 284 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 284 D C 1.563 177.873 176.300 0.016 0.000 0.992 284 D CA 1.518 55.534 54.000 0.027 0.000 0.833 284 D CB -0.558 40.261 40.800 0.031 0.000 0.954 284 D HN 0.391 nan 8.370 nan 0.000 0.455 285 N N 0.249 118.957 118.700 0.014 0.000 2.043 285 N HA -0.131 4.609 4.740 -0.000 0.000 0.193 285 N C 1.835 177.349 175.510 0.006 0.000 1.037 285 N CA 1.052 54.107 53.050 0.008 0.000 0.851 285 N CB -0.244 38.247 38.487 0.007 0.000 1.027 285 N HN 0.100 nan 8.380 nan 0.000 0.422 286 L N -0.413 120.813 121.223 0.005 0.000 2.056 286 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 286 L C 2.621 179.494 176.870 0.004 0.000 1.078 286 L CA 1.053 55.894 54.840 0.002 0.000 0.749 286 L CB -0.612 41.447 42.059 -0.000 0.000 0.901 286 L HN 0.336 nan 8.230 nan 0.000 0.433 287 Q N 0.380 120.183 119.800 0.006 0.000 2.084 287 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 287 Q C 2.140 178.144 176.000 0.006 0.000 0.978 287 Q CA 1.783 57.590 55.803 0.007 0.000 0.844 287 Q CB -0.209 28.535 28.738 0.010 0.000 0.898 287 Q HN 0.413 nan 8.270 nan 0.000 0.426 288 Q N -0.641 119.163 119.800 0.006 0.000 2.084 288 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 288 Q C 2.068 178.071 176.000 0.005 0.000 0.978 288 Q CA 1.710 57.516 55.803 0.005 0.000 0.844 288 Q CB 0.018 28.759 28.738 0.005 0.000 0.898 288 Q HN 0.555 nan 8.270 nan 0.000 0.426 289 Q N -0.111 119.691 119.800 0.004 0.000 2.119 289 Q HA -0.133 4.206 4.340 -0.000 0.000 0.201 289 Q C 2.188 178.190 176.000 0.004 0.000 0.972 289 Q CA 1.075 56.880 55.803 0.004 0.000 0.847 289 Q CB -0.005 28.735 28.738 0.003 0.000 0.903 289 Q HN 0.405 nan 8.270 nan 0.000 0.433 290 L N 0.771 121.995 121.223 0.003 0.000 2.046 290 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 290 L C 1.726 178.598 176.870 0.003 0.000 1.077 290 L CA 0.995 55.835 54.840 0.001 0.000 0.747 290 L CB -0.302 41.758 42.059 0.001 0.000 0.896 290 L HN 0.201 nan 8.230 nan 0.000 0.432 291 D N -0.007 120.395 120.400 0.005 0.000 2.144 291 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 291 D C 2.210 178.515 176.300 0.009 0.000 0.978 291 D CA 1.435 55.438 54.000 0.006 0.000 0.833 291 D CB -0.065 40.738 40.800 0.006 0.000 0.961 291 D HN 0.323 nan 8.370 nan 0.000 0.470 292 A N 0.914 123.739 122.820 0.009 0.000 1.898 292 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 292 A C 2.025 179.620 177.584 0.018 0.000 1.181 292 A CA 1.840 53.885 52.037 0.015 0.000 0.620 292 A CB -0.876 18.132 19.000 0.014 0.000 0.819 292 A HN 0.283 nan 8.150 nan 0.000 0.442 293 N N -0.191 118.515 118.700 0.010 0.000 2.120 293 N HA -0.229 4.511 4.740 -0.000 0.000 0.188 293 N C 1.768 177.276 175.510 -0.003 0.000 1.024 293 N CA 1.872 54.922 53.050 0.000 0.000 0.852 293 N CB -0.257 38.225 38.487 -0.008 0.000 1.003 293 N HN 0.638 nan 8.380 nan 0.000 0.424 294 E N -0.084 120.118 120.200 0.002 0.000 2.077 294 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 294 E C 1.912 178.521 176.600 0.015 0.000 0.989 294 E CA 1.166 57.568 56.400 0.004 0.000 0.800 294 E CB -0.065 29.638 29.700 0.005 0.000 0.746 294 E HN 0.544 nan 8.360 nan 0.000 0.452 295 Q N 0.055 119.868 119.800 0.022 0.000 2.170 295 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 295 Q C 2.145 178.182 176.000 0.062 0.000 0.976 295 Q CA 1.196 57.021 55.803 0.036 0.000 0.858 295 Q CB 0.041 28.797 28.738 0.031 0.000 0.907 295 Q HN 0.182 nan 8.270 nan 0.000 0.433 296 K N 0.443 120.881 120.400 0.064 0.000 2.057 296 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 296 K C 2.023 178.674 176.600 0.085 0.000 1.050 296 K CA 0.985 57.339 56.287 0.111 0.000 0.935 296 K CB -0.041 32.509 32.500 0.084 0.000 0.715 296 K HN 0.193 nan 8.250 nan 0.000 0.439 297 I N 1.355 121.931 120.570 0.010 0.000 2.179 297 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 297 I C 2.091 178.230 176.117 0.037 0.000 1.088 297 I CA 1.445 62.740 61.300 -0.009 0.000 1.357 297 I CB -0.289 37.696 38.000 -0.026 0.000 1.051 297 I HN 0.227 nan 8.210 nan 0.000 0.409 298 E N 0.501 120.725 120.200 0.039 0.000 2.085 298 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 298 E C 2.061 178.697 176.600 0.060 0.000 0.994 298 E CA 1.348 57.771 56.400 0.039 0.000 0.801 298 E CB -0.214 29.506 29.700 0.033 0.000 0.743 298 E HN 0.510 nan 8.360 nan 0.000 0.453 299 E N 0.563 120.827 120.200 0.106 0.000 2.077 299 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 299 E C 2.219 178.909 176.600 0.150 0.000 0.989 299 E CA 1.116 57.608 56.400 0.154 0.000 0.800 299 E CB -0.170 29.669 29.700 0.233 0.000 0.746 299 E HN 0.262 nan 8.360 nan 0.000 0.452 300 G N 1.199 110.125 108.800 0.210 0.000 2.421 300 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 300 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 300 G C 1.543 176.345 174.900 -0.163 0.000 1.171 300 G CA 0.919 46.129 45.100 0.184 0.000 0.775 300 G HN 0.195 nan 8.290 nan 0.000 0.543 301 K N -0.166 120.206 120.400 -0.046 0.000 2.057 301 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 301 K C 2.562 179.092 176.600 -0.117 0.000 1.049 301 K CA 0.996 57.237 56.287 -0.075 0.000 0.931 301 K CB -0.141 32.349 32.500 -0.017 0.000 0.714 301 K HN 0.201 nan 8.250 nan 0.000 0.440 302 R N 1.245 121.701 120.500 -0.073 0.000 2.073 302 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 302 R C 2.199 178.446 176.300 -0.089 0.000 1.134 302 R CA 1.127 57.197 56.100 -0.049 0.000 0.952 302 R CB -0.196 30.112 30.300 0.014 0.000 0.850 302 R HN 0.123 nan 8.270 nan 0.000 0.433 303 L N 0.534 121.664 121.223 -0.156 0.000 2.093 303 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 303 L C 2.864 179.528 176.870 -0.344 0.000 1.085 303 L CA 1.467 56.227 54.840 -0.134 0.000 0.755 303 L CB -0.521 41.406 42.059 -0.219 0.000 0.904 303 L HN 0.410 nan 8.230 nan 0.000 0.435 304 Q N 0.338 119.689 119.800 -0.749 0.000 2.084 304 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 304 Q C 2.007 177.939 176.000 -0.113 0.000 0.978 304 Q CA 1.724 57.274 55.803 -0.421 0.000 0.844 304 Q CB 0.067 28.633 28.738 -0.286 0.000 0.898 304 Q HN 0.528 nan 8.270 nan 0.000 0.426 305 E N 0.092 120.222 120.200 -0.116 0.000 2.106 305 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 305 E C 1.865 178.416 176.600 -0.082 0.000 0.984 305 E CA 1.196 57.557 56.400 -0.065 0.000 0.806 305 E CB 0.010 29.677 29.700 -0.055 0.000 0.750 305 E HN 0.477 nan 8.360 nan 0.000 0.458 306 E N 0.259 120.374 120.200 -0.142 0.000 2.076 306 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 306 E C 1.656 178.045 176.600 -0.351 0.000 0.979 306 E CA 0.851 57.085 56.400 -0.276 0.000 0.807 306 E CB 0.183 29.634 29.700 -0.414 0.000 0.761 306 E HN 0.344 nan 8.360 nan 0.000 0.454 307 H N -0.793 118.301 119.070 0.041 0.000 2.740 307 H HA 0.310 4.865 4.556 -0.000 0.000 0.265 307 H C 0.953 176.332 175.328 0.084 0.000 0.978 307 H CA 0.634 56.729 56.048 0.079 0.000 1.198 307 H CB 1.374 31.206 29.762 0.117 0.000 1.467 307 H HN 0.300 nan 8.280 nan 0.000 0.511 308 G N 1.268 110.167 108.800 0.167 0.000 0.000 308 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.000 308 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.000 308 G C 0.268 175.317 174.900 0.248 0.000 0.000 308 G CA -0.071 45.120 45.100 0.151 0.000 0.000 308 G HN 0.331 nan 8.290 nan 0.000 0.000 309 N N 0.038 118.862 118.700 0.206 0.000 2.396 309 N HA -0.059 4.681 4.740 -0.000 0.000 0.180 309 N C 0.602 176.238 175.510 0.209 0.000 1.028 309 N CA 1.361 54.573 53.050 0.270 0.000 0.893 309 N CB 0.133 38.715 38.487 0.159 0.000 0.967 309 N HN 0.617 nan 8.380 nan 0.000 0.440 310 E N 0.935 121.203 120.200 0.115 0.000 2.155 310 E HA 0.180 4.530 4.350 -0.000 0.000 0.264 310 E C -1.572 175.029 176.600 0.001 0.000 0.886 310 E CA -0.625 55.773 56.400 -0.003 0.000 0.752 310 E CB 1.090 30.754 29.700 -0.060 0.000 1.133 310 E HN 0.042 nan 8.360 nan 0.000 0.414 311 L N 7.745 128.884 121.223 -0.140 0.000 2.277 311 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 311 L C -2.502 174.286 176.870 -0.137 0.000 1.028 311 L CA -2.199 52.539 54.840 -0.170 0.000 0.835 311 L CB 1.196 43.045 42.059 -0.350 0.000 1.215 311 L HN 0.382 nan 8.230 nan 0.000 0.425 312 P HA 0.218 nan 4.420 nan 0.000 0.281 312 P C 0.304 177.785 177.300 0.301 0.000 1.252 312 P CA -0.094 63.129 63.100 0.205 0.000 0.778 312 P CB 1.207 33.086 31.700 0.298 0.000 0.895 313 I N -0.368 120.339 120.570 0.229 0.000 4.456 313 I HA 0.373 4.543 4.170 -0.000 0.000 0.329 313 I C 0.269 176.444 176.117 0.097 0.000 1.313 313 I CA -0.163 61.282 61.300 0.242 0.000 1.205 313 I CB 0.679 38.711 38.000 0.054 0.000 1.179 313 I HN 0.212 nan 8.210 nan 0.000 0.419 314 S N 0.464 115.961 115.700 -0.338 0.000 2.558 314 S HA 0.840 5.310 4.470 -0.000 0.000 0.277 314 S C -1.500 172.672 174.600 -0.713 0.000 1.143 314 S CA 0.087 57.893 58.200 -0.657 0.000 0.865 314 S CB 1.854 64.929 63.200 -0.208 0.000 1.102 314 S HN 0.612 nan 8.310 nan 0.000 0.454 315 A N 1.579 123.998 122.820 -0.668 0.000 2.606 315 A HA 0.975 5.294 4.320 -0.000 0.000 0.293 315 A C -0.220 177.482 177.584 0.198 0.000 1.082 315 A CA -0.217 51.726 52.037 -0.156 0.000 0.685 315 A CB 1.316 20.304 19.000 -0.020 0.000 1.284 315 A HN 1.534 nan 8.150 nan 0.000 0.408 316 G N -0.813 108.225 108.800 0.396 0.000 2.660 316 G HA2 0.611 4.571 3.960 -0.000 0.000 0.294 316 G HA3 0.611 4.571 3.960 -0.000 0.000 0.294 316 G C -1.949 173.157 174.900 0.343 0.000 1.369 316 G CA -0.467 44.951 45.100 0.530 0.000 0.912 316 G HN 0.855 nan 8.290 nan 0.000 0.479 317 F N 1.187 121.074 119.950 -0.104 0.000 2.427 317 F HA 0.746 5.273 4.527 -0.000 0.000 0.348 317 F C -1.264 174.238 175.800 -0.496 0.000 1.125 317 F CA -1.208 56.569 58.000 -0.371 0.000 0.989 317 F CB 1.123 39.856 39.000 -0.444 0.000 1.165 317 F HN 0.239 nan 8.300 nan 0.000 0.442 318 F N 5.589 125.168 119.950 -0.618 0.000 2.495 318 F HA 0.501 5.028 4.527 -0.000 0.000 0.327 318 F C -0.758 174.617 175.800 -0.709 0.000 1.103 318 F CA -0.977 56.680 58.000 -0.572 0.000 0.949 318 F CB 1.430 40.230 39.000 -0.334 0.000 1.142 318 F HN 0.199 nan 8.300 nan 0.000 0.457 319 F N 3.590 123.390 119.950 -0.251 0.000 2.421 319 F HA 0.614 5.141 4.527 -0.000 0.000 0.337 319 F C -0.422 175.234 175.800 -0.239 0.000 1.105 319 F CA -0.942 56.850 58.000 -0.347 0.000 1.049 319 F CB 1.307 39.885 39.000 -0.705 0.000 1.139 319 F HN 0.089 nan 8.300 nan 0.000 0.479 320 I N 4.046 124.604 120.570 -0.021 0.000 2.439 320 I HA 0.323 4.493 4.170 -0.000 0.000 0.285 320 I C -0.554 175.546 176.117 -0.029 0.000 1.021 320 I CA -0.391 60.862 61.300 -0.077 0.000 1.091 320 I CB 1.212 39.078 38.000 -0.223 0.000 1.242 320 I HN 0.532 nan 8.210 nan 0.000 0.439 321 N N 6.061 124.770 118.700 0.015 0.000 2.525 321 N HA 0.411 5.151 4.740 -0.000 0.000 0.270 321 N C -2.242 173.307 175.510 0.064 0.000 1.321 321 N CA -1.429 51.638 53.050 0.029 0.000 0.797 321 N CB 2.130 40.642 38.487 0.042 0.000 1.529 321 N HN 0.055 nan 8.380 nan 0.000 0.491 322 P HA -0.108 nan 4.420 nan 0.000 0.216 322 P C 1.198 178.573 177.300 0.125 0.000 1.150 322 P CA 1.120 64.262 63.100 0.070 0.000 0.843 322 P CB 0.096 31.815 31.700 0.033 0.000 0.787 323 F N 0.551 120.490 119.950 -0.018 0.000 2.259 323 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 323 F C 0.825 176.631 175.800 0.011 0.000 1.088 323 F CA 0.731 58.716 58.000 -0.025 0.000 1.358 323 F CB 0.041 39.020 39.000 -0.035 0.000 1.040 323 F HN -0.007 nan 8.300 nan 0.000 0.505 324 E N -1.708 118.442 120.200 -0.083 0.000 2.403 324 E HA 0.417 4.767 4.350 -0.000 0.000 0.280 324 E C -1.923 174.656 176.600 -0.035 0.000 1.101 324 E CA -1.009 55.284 56.400 -0.179 0.000 0.856 324 E CB 1.444 30.945 29.700 -0.332 0.000 1.303 324 E HN -0.207 nan 8.360 nan 0.000 0.441 325 V N 1.336 121.215 119.914 -0.059 0.000 2.435 325 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 325 V C -0.595 175.396 176.094 -0.172 0.000 1.030 325 V CA -0.651 61.607 62.300 -0.070 0.000 0.881 325 V CB 1.562 33.376 31.823 -0.014 0.000 0.983 325 V HN 0.528 nan 8.190 nan 0.000 0.445 326 V N 5.187 125.027 119.914 -0.123 0.000 2.448 326 V HA 0.289 4.409 4.120 -0.000 0.000 0.295 326 V C -0.813 175.066 176.094 -0.359 0.000 1.025 326 V CA -0.807 61.357 62.300 -0.226 0.000 0.859 326 V CB 1.615 33.303 31.823 -0.225 0.000 0.988 326 V HN 0.765 nan 8.190 nan 0.000 0.431 327 Y N 5.591 125.528 120.300 -0.604 0.000 2.627 327 Y HA 0.235 4.785 4.550 -0.000 0.000 0.347 327 Y C 0.549 176.122 175.900 -0.545 0.000 1.099 327 Y CA -0.943 56.584 58.100 -0.954 0.000 1.408 327 Y CB 0.083 38.209 38.460 -0.556 0.000 1.247 327 Y HN 0.701 nan 8.280 nan 0.000 0.506 328 Y N 4.247 124.014 120.300 -0.888 0.000 2.206 328 Y HA 0.391 4.941 4.550 -0.000 0.000 0.292 328 Y C 0.379 175.985 175.900 -0.489 0.000 1.123 328 Y CA 0.875 58.590 58.100 -0.642 0.000 1.142 328 Y CB 0.166 38.235 38.460 -0.651 0.000 1.006 328 Y HN 0.532 nan 8.280 nan 0.000 0.518 329 A N -1.101 121.390 122.820 -0.549 0.000 2.594 329 A HA 0.727 5.047 4.320 -0.000 0.000 0.295 329 A C -0.634 176.870 177.584 -0.134 0.000 1.071 329 A CA -0.107 51.705 52.037 -0.375 0.000 0.685 329 A CB 0.938 19.963 19.000 0.042 0.000 1.285 329 A HN 0.568 nan 8.150 nan 0.000 0.405 330 G N -1.198 107.580 108.800 -0.038 0.000 2.506 330 G HA2 0.821 4.781 3.960 -0.000 0.000 0.292 330 G HA3 0.821 4.781 3.960 -0.000 0.000 0.292 330 G C -0.550 174.395 174.900 0.076 0.000 1.425 330 G CA 0.304 45.536 45.100 0.221 0.000 0.788 330 G HN 1.982 nan 8.290 nan 0.000 0.490 331 G N -1.388 107.433 108.800 0.035 0.000 2.698 331 G HA2 0.704 4.664 3.960 -0.000 0.000 0.293 331 G HA3 0.704 4.664 3.960 -0.000 0.000 0.293 331 G C -1.336 173.534 174.900 -0.050 0.000 1.437 331 G CA -0.236 44.878 45.100 0.024 0.000 0.852 331 G HN 0.822 nan 8.290 nan 0.000 0.499 332 T N 0.033 114.632 114.554 0.074 0.000 2.916 332 T HA 0.542 4.892 4.350 -0.000 0.000 0.298 332 T C 0.065 174.929 174.700 0.273 0.000 1.031 332 T CA -0.398 61.760 62.100 0.096 0.000 0.993 332 T CB 1.651 70.521 68.868 0.004 0.000 1.045 332 T HN 0.787 nan 8.240 nan 0.000 0.454 333 S N 2.303 118.251 115.700 0.413 0.000 2.498 333 S HA 0.039 4.509 4.470 -0.000 0.000 0.281 333 S C 1.394 176.088 174.600 0.157 0.000 1.265 333 S CA -0.450 57.937 58.200 0.313 0.000 1.071 333 S CB 0.022 63.484 63.200 0.437 0.000 0.894 333 S HN 0.577 nan 8.310 nan 0.000 0.491 334 N N 4.614 123.354 118.700 0.067 0.000 2.166 334 N HA -0.122 4.617 4.740 -0.000 0.000 0.186 334 N C 1.869 177.349 175.510 -0.049 0.000 1.019 334 N CA 1.454 54.513 53.050 0.016 0.000 0.856 334 N CB -0.648 37.837 38.487 -0.003 0.000 0.993 334 N HN 0.763 nan 8.380 nan 0.000 0.426 335 A N 0.009 122.718 122.820 -0.184 0.000 2.015 335 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 335 A C 0.976 178.194 177.584 -0.610 0.000 1.163 335 A CA 0.820 52.574 52.037 -0.472 0.000 0.646 335 A CB -0.393 18.137 19.000 -0.784 0.000 0.806 335 A HN 0.261 nan 8.150 nan 0.000 0.448 336 F N -1.422 118.596 119.950 0.113 0.000 2.805 336 F HA 0.312 4.838 4.527 -0.000 0.000 0.317 336 F C 1.607 177.382 175.800 -0.041 0.000 1.146 336 F CA -0.548 57.474 58.000 0.036 0.000 1.265 336 F CB 0.376 39.477 39.000 0.169 0.000 0.992 336 F HN 0.001 nan 8.300 nan 0.000 0.511 337 R N 0.048 120.617 120.500 0.115 0.000 2.159 337 R HA -0.190 4.149 4.340 -0.000 0.000 0.237 337 R C 1.852 178.218 176.300 0.110 0.000 1.131 337 R CA 1.841 58.017 56.100 0.127 0.000 0.982 337 R CB -0.596 29.776 30.300 0.120 0.000 0.868 337 R HN 0.605 nan 8.270 nan 0.000 0.453 338 H N -2.343 116.774 119.070 0.078 0.000 2.545 338 H HA -0.041 4.515 4.556 -0.000 0.000 0.282 338 H C 1.224 176.514 175.328 -0.064 0.000 1.020 338 H CA 0.918 56.947 56.048 -0.032 0.000 1.243 338 H CB -0.480 29.196 29.762 -0.143 0.000 1.377 338 H HN 0.156 nan 8.280 nan 0.000 0.581 339 F N 0.721 120.543 119.950 -0.213 0.000 2.780 339 F HA 0.326 4.853 4.527 -0.000 0.000 0.299 339 F C 1.549 177.353 175.800 0.007 0.000 1.146 339 F CA 0.380 58.317 58.000 -0.105 0.000 1.428 339 F CB 0.229 39.117 39.000 -0.186 0.000 1.115 339 F HN 0.421 nan 8.300 nan 0.000 0.583 340 A N 0.472 123.436 122.820 0.241 0.000 2.872 340 A HA -0.239 4.081 4.320 -0.000 0.000 0.273 340 A C 1.859 179.620 177.584 0.295 0.000 1.442 340 A CA 0.627 52.868 52.037 0.341 0.000 0.801 340 A CB -2.229 16.933 19.000 0.270 0.000 1.031 340 A HN 0.600 nan 8.150 nan 0.000 0.582 341 G N -0.602 108.309 108.800 0.185 0.000 2.450 341 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.220 341 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.220 341 G C 1.725 176.675 174.900 0.083 0.000 1.130 341 G CA 1.731 46.883 45.100 0.086 0.000 0.760 341 G HN 1.351 nan 8.290 nan 0.000 0.557 342 S N -0.354 115.389 115.700 0.072 0.000 2.370 342 S HA -0.136 4.334 4.470 -0.000 0.000 0.226 342 S C 2.160 176.806 174.600 0.076 0.000 1.033 342 S CA 1.438 59.626 58.200 -0.019 0.000 1.011 342 S CB -0.389 62.691 63.200 -0.199 0.000 0.852 342 S HN 0.502 nan 8.310 nan 0.000 0.457 343 Y N 1.428 121.897 120.300 0.282 0.000 2.293 343 Y HA 0.112 4.662 4.550 -0.000 0.000 0.291 343 Y C 2.636 178.683 175.900 0.245 0.000 1.137 343 Y CA 0.705 58.992 58.100 0.312 0.000 1.202 343 Y CB -0.724 37.853 38.460 0.196 0.000 0.990 343 Y HN 0.357 nan 8.280 nan 0.000 0.537 344 A N -0.346 122.650 122.820 0.293 0.000 1.873 344 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 344 A C 2.383 180.064 177.584 0.161 0.000 1.186 344 A CA 1.801 53.958 52.037 0.201 0.000 0.616 344 A CB -1.164 17.885 19.000 0.081 0.000 0.823 344 A HN 0.219 nan 8.150 nan 0.000 0.442 345 V N 0.169 120.149 119.914 0.109 0.000 2.287 345 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 345 V C 2.790 178.935 176.094 0.085 0.000 1.053 345 V CA 2.129 64.468 62.300 0.064 0.000 1.027 345 V CB -0.771 31.102 31.823 0.084 0.000 0.646 345 V HN 0.542 nan 8.190 nan 0.000 0.447 346 Q N -1.223 118.680 119.800 0.173 0.000 2.084 346 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 346 Q C 2.019 178.102 176.000 0.139 0.000 0.978 346 Q CA 1.895 57.798 55.803 0.167 0.000 0.844 346 Q CB -0.560 28.295 28.738 0.195 0.000 0.898 346 Q HN 0.838 nan 8.270 nan 0.000 0.426 347 W N 1.657 122.979 121.300 0.037 0.000 2.363 347 W HA -0.243 4.417 4.660 -0.000 0.000 0.296 347 W C 1.818 178.311 176.519 -0.043 0.000 1.212 347 W CA 1.568 58.919 57.345 0.009 0.000 1.260 347 W CB 0.266 29.767 29.460 0.068 0.000 1.131 347 W HN 0.257 nan 8.180 nan 0.000 0.530 348 E N 0.497 120.690 120.200 -0.012 0.000 2.051 348 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 348 E C 2.076 178.585 176.600 -0.152 0.000 0.991 348 E CA 2.080 58.413 56.400 -0.112 0.000 0.799 348 E CB -0.639 29.019 29.700 -0.069 0.000 0.748 348 E HN 0.009 nan 8.360 nan 0.000 0.449 349 M N -0.194 119.277 119.600 -0.216 0.000 2.288 349 M HA 0.066 4.546 4.480 -0.000 0.000 0.266 349 M C 2.295 178.529 176.300 -0.111 0.000 1.072 349 M CA 0.879 56.045 55.300 -0.224 0.000 1.132 349 M CB -0.560 31.640 32.600 -0.666 0.000 1.386 349 M HN 0.211 nan 8.290 nan 0.000 0.432 350 I N 0.432 120.749 120.570 -0.423 0.000 2.252 350 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 350 I C 2.204 178.058 176.117 -0.438 0.000 1.102 350 I CA 0.939 61.837 61.300 -0.671 0.000 1.385 350 I CB -0.420 37.138 38.000 -0.737 0.000 1.064 350 I HN 0.361 nan 8.210 nan 0.000 0.414 351 N N 0.090 118.463 118.700 -0.546 0.000 2.244 351 N HA -0.217 4.523 4.740 -0.000 0.000 0.183 351 N C 1.848 177.221 175.510 -0.228 0.000 1.016 351 N CA 1.158 53.912 53.050 -0.493 0.000 0.866 351 N CB -0.189 37.913 38.487 -0.641 0.000 0.980 351 N HN 0.400 nan 8.380 nan 0.000 0.430 352 Y N 1.859 122.036 120.300 -0.206 0.000 2.097 352 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 352 Y C 2.417 178.308 175.900 -0.014 0.000 1.152 352 Y CA 2.097 60.177 58.100 -0.033 0.000 1.136 352 Y CB -0.304 38.135 38.460 -0.035 0.000 0.975 352 Y HN 0.057 nan 8.280 nan 0.000 0.498 353 A N 0.456 123.434 122.820 0.263 0.000 1.883 353 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 353 A C 2.263 179.838 177.584 -0.015 0.000 1.186 353 A CA 1.983 54.123 52.037 0.172 0.000 0.624 353 A CB -1.208 17.887 19.000 0.159 0.000 0.822 353 A HN 0.591 nan 8.150 nan 0.000 0.444 354 L N -0.345 120.811 121.223 -0.112 0.000 2.046 354 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 354 L C 2.183 178.918 176.870 -0.226 0.000 1.077 354 L CA 1.350 56.096 54.840 -0.157 0.000 0.747 354 L CB -0.643 41.298 42.059 -0.197 0.000 0.896 354 L HN 0.375 nan 8.230 nan 0.000 0.432 355 N N -1.124 117.357 118.700 -0.366 0.000 2.331 355 N HA -0.108 4.632 4.740 -0.000 0.000 0.180 355 N C 0.999 176.036 175.510 -0.789 0.000 1.019 355 N CA 1.019 53.711 53.050 -0.598 0.000 0.881 355 N CB -0.120 37.889 38.487 -0.797 0.000 0.972 355 N HN 0.419 nan 8.380 nan 0.000 0.435 356 H N -0.823 118.106 119.070 -0.234 0.000 2.467 356 H HA 0.310 4.866 4.556 -0.000 0.000 0.275 356 H C 0.736 176.001 175.328 -0.106 0.000 1.131 356 H CA 0.023 55.941 56.048 -0.216 0.000 0.989 356 H CB 0.015 29.540 29.762 -0.395 0.000 1.696 356 H HN 0.135 nan 8.280 nan 0.000 0.574 357 G N 1.711 110.489 108.800 -0.038 0.000 2.249 357 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 357 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 357 G C 0.066 174.977 174.900 0.019 0.000 1.036 357 G CA 0.101 45.196 45.100 -0.010 0.000 0.824 357 G HN 0.439 nan 8.290 nan 0.000 0.504 358 I N 0.330 120.921 120.570 0.035 0.000 2.355 358 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 358 I C 0.071 176.195 176.117 0.011 0.000 0.999 358 I CA -0.810 60.513 61.300 0.039 0.000 1.163 358 I CB 1.414 39.467 38.000 0.089 0.000 1.316 358 I HN -0.082 nan 8.210 nan 0.000 0.454 359 D N 5.728 126.118 120.400 -0.016 0.000 2.319 359 D HA 0.058 4.698 4.640 -0.000 0.000 0.230 359 D C 0.513 176.788 176.300 -0.043 0.000 1.094 359 D CA 0.431 54.418 54.000 -0.020 0.000 0.856 359 D CB 0.304 41.098 40.800 -0.010 0.000 0.915 359 D HN 0.420 nan 8.370 nan 0.000 0.517 360 R N 0.410 120.861 120.500 -0.081 0.000 2.533 360 R HA 0.240 4.580 4.340 -0.000 0.000 0.288 360 R C -2.018 174.277 176.300 -0.009 0.000 1.039 360 R CA -0.703 55.335 56.100 -0.103 0.000 0.909 360 R CB 1.289 31.358 30.300 -0.385 0.000 1.195 360 R HN -0.147 nan 8.270 nan 0.000 0.438 361 Y N 4.130 124.386 120.300 -0.072 0.000 2.345 361 Y HA 0.377 4.927 4.550 -0.000 0.000 0.331 361 Y C -1.035 174.823 175.900 -0.070 0.000 0.959 361 Y CA -0.863 57.174 58.100 -0.105 0.000 1.204 361 Y CB 1.239 39.598 38.460 -0.168 0.000 1.135 361 Y HN 0.551 nan 8.280 nan 0.000 0.477 362 N N 5.833 124.352 118.700 -0.301 0.000 2.462 362 N HA 0.110 4.850 4.740 -0.000 0.000 0.242 362 N C -0.004 175.453 175.510 -0.088 0.000 1.010 362 N CA 0.004 53.040 53.050 -0.023 0.000 0.939 362 N CB 0.165 38.749 38.487 0.161 0.000 1.127 362 N HN 0.730 nan 8.380 nan 0.000 0.509 363 F N 3.265 123.347 119.950 0.220 0.000 2.699 363 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 363 F C 0.782 176.818 175.800 0.393 0.000 1.154 363 F CA 0.434 58.638 58.000 0.341 0.000 1.457 363 F CB -0.264 38.985 39.000 0.416 0.000 1.106 363 F HN 0.498 nan 8.300 nan 0.000 0.585 364 Y N -0.266 120.182 120.300 0.248 0.000 2.921 364 Y HA -0.265 4.285 4.550 -0.000 0.000 0.465 364 Y C 1.306 177.384 175.900 0.296 0.000 1.213 364 Y CA 0.310 58.454 58.100 0.073 0.000 2.445 364 Y CB -1.334 37.129 38.460 0.005 0.000 1.250 364 Y HN 0.003 nan 8.280 nan 0.000 0.635 365 G N 1.166 110.061 108.800 0.159 0.000 2.265 365 G HA2 0.457 4.417 3.960 -0.000 0.000 0.240 365 G HA3 0.457 4.417 3.960 -0.000 0.000 0.240 365 G C -0.547 174.601 174.900 0.413 0.000 1.270 365 G CA 0.181 45.466 45.100 0.308 0.000 0.901 365 G HN 1.399 nan 8.290 nan 0.000 0.507 366 V N -0.057 120.081 119.914 0.374 0.000 2.962 366 V HA 0.667 4.787 4.120 -0.000 0.000 0.313 366 V C 1.054 177.092 176.094 -0.094 0.000 1.099 366 V CA 0.006 62.429 62.300 0.206 0.000 0.971 366 V CB 1.398 33.284 31.823 0.105 0.000 1.028 366 V HN 1.001 nan 8.190 nan 0.000 0.430 367 S N 1.456 116.911 115.700 -0.409 0.000 2.399 367 S HA 0.121 4.591 4.470 -0.000 0.000 0.231 367 S C 1.776 175.938 174.600 -0.730 0.000 1.022 367 S CA 1.777 59.494 58.200 -0.804 0.000 0.983 367 S CB -0.530 62.248 63.200 -0.704 0.000 0.803 367 S HN 2.878 nan 8.310 nan 0.000 0.480 368 G N 0.800 108.984 108.800 -1.027 0.000 2.195 368 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 368 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 368 G C -0.026 174.309 174.900 -0.941 0.000 0.984 368 G CA 0.202 44.408 45.100 -1.490 0.000 0.633 368 G HN 0.602 nan 8.290 nan 0.000 0.525 369 K N 0.664 120.611 120.400 -0.755 0.000 2.296 369 K HA 0.469 4.789 4.320 -0.000 0.000 0.257 369 K C -0.534 175.817 176.600 -0.416 0.000 1.088 369 K CA -0.658 55.395 56.287 -0.390 0.000 0.980 369 K CB 0.103 32.450 32.500 -0.256 0.000 1.430 369 K HN 0.160 nan 8.250 nan 0.000 0.441 370 F N 2.277 122.160 119.950 -0.112 0.000 2.659 370 F HA 0.026 4.553 4.527 -0.000 0.000 0.360 370 F C 1.052 176.839 175.800 -0.021 0.000 1.218 370 F CA -0.296 57.672 58.000 -0.054 0.000 1.317 370 F CB -0.334 38.639 39.000 -0.046 0.000 1.697 370 F HN 0.264 nan 8.300 nan 0.000 0.637 371 T N -3.681 110.904 114.554 0.053 0.000 2.924 371 T HA 0.314 4.664 4.350 -0.000 0.000 0.291 371 T C 0.994 175.722 174.700 0.045 0.000 1.045 371 T CA -0.855 61.276 62.100 0.051 0.000 1.015 371 T CB 2.086 70.965 68.868 0.019 0.000 1.103 371 T HN 0.128 nan 8.240 nan 0.000 0.496 372 E N 0.981 121.210 120.200 0.049 0.000 2.204 372 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 372 E C 1.405 178.026 176.600 0.035 0.000 0.990 372 E CA 1.697 58.125 56.400 0.047 0.000 0.821 372 E CB -0.199 29.527 29.700 0.043 0.000 0.750 372 E HN 0.953 nan 8.360 nan 0.000 0.477 373 D N -0.380 120.035 120.400 0.024 0.000 2.349 373 D HA 0.096 4.735 4.640 -0.000 0.000 0.215 373 D C 0.507 176.814 176.300 0.011 0.000 1.016 373 D CA 0.230 54.241 54.000 0.018 0.000 0.870 373 D CB 0.030 40.839 40.800 0.014 0.000 0.917 373 D HN 0.006 nan 8.370 nan 0.000 0.524 374 A N 0.968 123.788 122.820 0.000 0.000 2.561 374 A HA -0.048 4.272 4.320 -0.000 0.000 0.234 374 A C 1.424 179.014 177.584 0.010 0.000 1.055 374 A CA 0.197 52.221 52.037 -0.022 0.000 0.756 374 A CB 0.019 18.977 19.000 -0.070 0.000 0.986 374 A HN 0.399 nan 8.150 nan 0.000 0.505 375 E N 0.905 121.119 120.200 0.023 0.000 2.130 375 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 375 E C 0.461 177.114 176.600 0.089 0.000 0.998 375 E CA 1.659 58.098 56.400 0.066 0.000 0.806 375 E CB 0.013 29.781 29.700 0.112 0.000 0.738 375 E HN 0.830 nan 8.360 nan 0.000 0.459 376 D N -0.959 119.502 120.400 0.102 0.000 2.463 376 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 376 D C 1.170 177.521 176.300 0.086 0.000 1.174 376 D CA 0.487 54.559 54.000 0.121 0.000 0.829 376 D CB 0.450 41.385 40.800 0.224 0.000 0.993 376 D HN 0.196 nan 8.370 nan 0.000 0.497 377 A N 0.928 123.785 122.820 0.061 0.000 1.948 377 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 377 A C 2.248 179.894 177.584 0.104 0.000 1.177 377 A CA 1.889 53.969 52.037 0.072 0.000 0.636 377 A CB -1.185 17.849 19.000 0.058 0.000 0.815 377 A HN 0.395 nan 8.150 nan 0.000 0.449 378 G N -0.843 108.012 108.800 0.093 0.000 2.402 378 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 378 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 378 G C 1.481 176.464 174.900 0.140 0.000 1.162 378 G CA 1.131 46.292 45.100 0.103 0.000 0.777 378 G HN 0.330 nan 8.290 nan 0.000 0.539 379 V N 0.628 120.620 119.914 0.130 0.000 2.358 379 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 379 V C 3.007 179.265 176.094 0.273 0.000 1.047 379 V CA 1.350 63.752 62.300 0.170 0.000 1.035 379 V CB -0.309 31.602 31.823 0.147 0.000 0.658 379 V HN 0.237 nan 8.190 nan 0.000 0.452 380 V N -0.187 119.872 119.914 0.242 0.000 2.407 380 V HA -0.268 3.851 4.120 -0.000 0.000 0.248 380 V C 2.422 178.700 176.094 0.306 0.000 1.055 380 V CA 1.954 64.441 62.300 0.313 0.000 1.049 380 V CB -0.707 31.274 31.823 0.264 0.000 0.662 380 V HN 0.547 nan 8.190 nan 0.000 0.455 381 K N -0.717 119.823 120.400 0.234 0.000 2.097 381 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 381 K C 2.073 178.773 176.600 0.166 0.000 1.050 381 K CA 1.727 58.117 56.287 0.173 0.000 0.938 381 K CB -0.317 32.274 32.500 0.151 0.000 0.718 381 K HN 0.485 nan 8.250 nan 0.000 0.442 382 F N 2.427 122.418 119.950 0.068 0.000 2.102 382 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 382 F C 1.877 177.700 175.800 0.038 0.000 1.105 382 F CA 1.546 59.586 58.000 0.066 0.000 1.239 382 F CB 0.081 39.127 39.000 0.077 0.000 0.991 382 F HN -0.172 nan 8.300 nan 0.000 0.474 383 K N 0.348 120.816 120.400 0.113 0.000 2.057 383 K HA -0.225 4.094 4.320 -0.000 0.000 0.207 383 K C 2.175 178.583 176.600 -0.321 0.000 1.049 383 K CA 1.611 57.746 56.287 -0.254 0.000 0.931 383 K CB -0.325 32.197 32.500 0.035 0.000 0.714 383 K HN 0.246 nan 8.250 nan 0.000 0.440 384 K N 0.818 121.010 120.400 -0.347 0.000 2.063 384 K HA -0.153 4.166 4.320 -0.000 0.000 0.208 384 K C 2.103 178.518 176.600 -0.308 0.000 1.048 384 K CA 1.672 57.591 56.287 -0.614 0.000 0.928 384 K CB -0.310 32.012 32.500 -0.297 0.000 0.713 384 K HN 0.252 nan 8.250 nan 0.000 0.442 385 G N -0.576 108.084 108.800 -0.234 0.000 2.498 385 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 385 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 385 G C 0.776 175.478 174.900 -0.330 0.000 1.119 385 G CA 0.550 45.491 45.100 -0.265 0.000 0.766 385 G HN 0.361 nan 8.290 nan 0.000 0.552 386 Y N -0.519 119.631 120.300 -0.249 0.000 2.490 386 Y HA 0.182 4.732 4.550 -0.000 0.000 0.281 386 Y C 1.435 177.337 175.900 0.004 0.000 1.174 386 Y CA 0.113 58.154 58.100 -0.098 0.000 1.295 386 Y CB 0.062 38.494 38.460 -0.047 0.000 1.062 386 Y HN 0.343 nan 8.280 nan 0.000 0.522 387 N N -0.713 118.017 118.700 0.049 0.000 2.818 387 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 387 N C -0.115 175.484 175.510 0.149 0.000 1.108 387 N CA 0.024 53.113 53.050 0.065 0.000 0.745 387 N CB -0.922 37.614 38.487 0.082 0.000 1.104 387 N HN 0.289 nan 8.380 nan 0.000 0.557 388 A N 0.834 123.762 122.820 0.180 0.000 2.296 388 A HA 0.454 4.774 4.320 -0.000 0.000 0.264 388 A C 0.446 178.288 177.584 0.430 0.000 1.097 388 A CA 0.255 52.511 52.037 0.365 0.000 0.811 388 A CB 0.551 19.858 19.000 0.512 0.000 1.072 388 A HN 0.545 nan 8.150 nan 0.000 0.495 389 E N -0.218 120.263 120.200 0.469 0.000 2.378 389 E HA 0.607 4.957 4.350 -0.000 0.000 0.265 389 E C -1.317 175.484 176.600 0.336 0.000 0.932 389 E CA -0.860 55.777 56.400 0.395 0.000 0.795 389 E CB 1.092 30.928 29.700 0.228 0.000 1.296 389 E HN 0.331 nan 8.360 nan 0.000 0.438 390 I N 2.064 122.733 120.570 0.165 0.000 2.385 390 I HA 0.343 4.513 4.170 -0.000 0.000 0.294 390 I C -0.022 176.218 176.117 0.204 0.000 0.988 390 I CA -0.766 60.617 61.300 0.139 0.000 1.265 390 I CB 0.834 38.858 38.000 0.040 0.000 1.388 390 I HN 0.587 nan 8.210 nan 0.000 0.480 391 I N 5.118 125.797 120.570 0.181 0.000 2.389 391 I HA 0.284 4.454 4.170 -0.000 0.000 0.288 391 I C 0.181 176.069 176.117 -0.381 0.000 0.999 391 I CA -0.576 60.693 61.300 -0.052 0.000 1.129 391 I CB 1.911 39.896 38.000 -0.025 0.000 1.288 391 I HN 0.575 nan 8.210 nan 0.000 0.444 392 E N 6.457 126.383 120.200 -0.458 0.000 2.156 392 E HA 0.368 4.718 4.350 -0.000 0.000 0.279 392 E C -1.498 174.750 176.600 -0.586 0.000 0.965 392 E CA -0.482 55.579 56.400 -0.565 0.000 0.789 392 E CB 1.092 30.576 29.700 -0.360 0.000 1.098 392 E HN 0.390 nan 8.360 nan 0.000 0.397 393 Y N 1.854 122.026 120.300 -0.214 0.000 2.374 393 Y HA 0.088 4.638 4.550 -0.000 0.000 0.322 393 Y C 1.676 177.553 175.900 -0.038 0.000 1.275 393 Y CA -0.610 57.410 58.100 -0.133 0.000 1.307 393 Y CB 1.096 39.467 38.460 -0.149 0.000 1.282 393 Y HN 0.448 nan 8.280 nan 0.000 0.509 394 V N -0.863 119.108 119.914 0.095 0.000 2.469 394 V HA 0.161 4.281 4.120 -0.000 0.000 0.251 394 V C 0.973 177.141 176.094 0.124 0.000 1.064 394 V CA 1.192 63.511 62.300 0.031 0.000 1.066 394 V CB -1.520 30.148 31.823 -0.257 0.000 0.667 394 V HN 1.273 nan 8.190 nan 0.000 0.461 395 G N 0.058 108.936 108.800 0.129 0.000 2.416 395 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.203 395 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.203 395 G C -1.316 173.682 174.900 0.164 0.000 1.227 395 G CA -0.124 45.035 45.100 0.098 0.000 1.041 395 G HN 0.638 nan 8.290 nan 0.000 0.546 396 D N -0.023 120.405 120.400 0.047 0.000 2.185 396 D HA 0.714 5.354 4.640 -0.000 0.000 0.247 396 D C -0.554 175.674 176.300 -0.120 0.000 1.027 396 D CA 0.065 54.170 54.000 0.176 0.000 0.861 396 D CB 1.285 42.256 40.800 0.285 0.000 1.202 396 D HN 0.357 nan 8.370 nan 0.000 0.453 397 F N 0.936 121.094 119.950 0.348 0.000 2.556 397 F HA 0.540 5.067 4.527 -0.000 0.000 0.314 397 F C -0.310 175.725 175.800 0.392 0.000 1.106 397 F CA -0.900 57.288 58.000 0.314 0.000 0.911 397 F CB 1.317 40.474 39.000 0.261 0.000 1.190 397 F HN 0.086 nan 8.300 nan 0.000 0.448 398 I N 2.686 123.505 120.570 0.414 0.000 2.436 398 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 398 I C -0.734 175.440 176.117 0.096 0.000 1.010 398 I CA -0.795 60.684 61.300 0.298 0.000 1.098 398 I CB 2.225 40.334 38.000 0.182 0.000 1.266 398 I HN 0.500 nan 8.210 nan 0.000 0.434 399 K N 8.256 128.620 120.400 -0.060 0.000 2.449 399 K HA 0.500 4.820 4.320 -0.000 0.000 0.257 399 K C -2.697 173.735 176.600 -0.279 0.000 0.989 399 K CA -1.659 54.412 56.287 -0.360 0.000 0.916 399 K CB 1.477 33.394 32.500 -0.971 0.000 1.136 399 K HN 0.134 nan 8.250 nan 0.000 0.439 400 P HA 0.043 nan 4.420 nan 0.000 0.276 400 P C 0.259 177.424 177.300 -0.225 0.000 1.235 400 P CA -0.376 62.484 63.100 -0.399 0.000 0.772 400 P CB 0.693 32.161 31.700 -0.387 0.000 0.871 401 I N 1.259 121.731 120.570 -0.164 0.000 2.628 401 I HA 0.035 4.205 4.170 -0.000 0.000 0.255 401 I C 0.792 176.854 176.117 -0.092 0.000 1.119 401 I CA 1.422 62.652 61.300 -0.116 0.000 1.448 401 I CB -0.675 37.282 38.000 -0.072 0.000 1.133 401 I HN 0.379 nan 8.210 nan 0.000 0.438 402 N N 1.705 120.339 118.700 -0.112 0.000 2.696 402 N HA 0.125 4.865 4.740 -0.000 0.000 0.246 402 N C 0.779 176.249 175.510 -0.066 0.000 1.057 402 N CA -0.021 52.962 53.050 -0.112 0.000 0.867 402 N CB 1.216 39.558 38.487 -0.242 0.000 1.141 402 N HN 0.069 nan 8.380 nan 0.000 0.517 403 K N 1.785 122.170 120.400 -0.025 0.000 2.044 403 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 403 K C -0.974 175.652 176.600 0.043 0.000 1.049 403 K CA 1.599 57.907 56.287 0.034 0.000 0.927 403 K CB -0.498 32.011 32.500 0.014 0.000 0.713 403 K HN 0.396 nan 8.250 nan 0.000 0.443 404 P HA -0.129 nan 4.420 nan 0.000 0.215 404 P C 1.472 178.764 177.300 -0.014 0.000 1.157 404 P CA 0.997 64.094 63.100 -0.004 0.000 0.863 404 P CB 0.081 31.778 31.700 -0.006 0.000 0.787 405 V N -1.328 118.558 119.914 -0.046 0.000 2.407 405 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 405 V C 2.323 178.406 176.094 -0.018 0.000 1.055 405 V CA 1.663 63.916 62.300 -0.079 0.000 1.049 405 V CB -1.397 30.256 31.823 -0.284 0.000 0.662 405 V HN 0.056 nan 8.190 nan 0.000 0.455 406 Y N 1.464 121.684 120.300 -0.134 0.000 2.242 406 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 406 Y C 2.360 178.239 175.900 -0.034 0.000 1.137 406 Y CA 1.050 59.096 58.100 -0.090 0.000 1.181 406 Y CB -0.582 37.801 38.460 -0.129 0.000 0.989 406 Y HN 0.152 nan 8.280 nan 0.000 0.527 407 A N 0.411 123.174 122.820 -0.096 0.000 1.902 407 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 407 A C 2.461 179.945 177.584 -0.167 0.000 1.181 407 A CA 1.984 53.922 52.037 -0.165 0.000 0.623 407 A CB -1.469 17.490 19.000 -0.068 0.000 0.818 407 A HN 0.563 nan 8.150 nan 0.000 0.443 408 A N -1.543 121.224 122.820 -0.088 0.000 1.902 408 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 408 A C 2.139 179.677 177.584 -0.076 0.000 1.181 408 A CA 1.673 53.672 52.037 -0.063 0.000 0.623 408 A CB -0.821 18.171 19.000 -0.012 0.000 0.818 408 A HN 0.753 nan 8.150 nan 0.000 0.443 409 Y N 2.038 122.217 120.300 -0.202 0.000 2.181 409 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 409 Y C 2.807 178.528 175.900 -0.297 0.000 1.146 409 Y CA 2.510 60.484 58.100 -0.209 0.000 1.164 409 Y CB -0.725 37.619 38.460 -0.194 0.000 0.982 409 Y HN 0.441 nan 8.280 nan 0.000 0.515 410 T N -1.818 112.418 114.554 -0.531 0.000 2.904 410 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 410 T C 2.098 176.559 174.700 -0.399 0.000 1.059 410 T CA 0.941 62.688 62.100 -0.587 0.000 1.137 410 T CB -0.965 67.546 68.868 -0.596 0.000 0.879 410 T HN 0.352 nan 8.240 nan 0.000 0.467 411 A N 1.334 123.977 122.820 -0.294 0.000 2.019 411 A HA 0.258 4.577 4.320 -0.000 0.000 0.219 411 A C 1.397 178.862 177.584 -0.199 0.000 1.164 411 A CA 0.574 52.489 52.037 -0.204 0.000 0.644 411 A CB -0.773 18.140 19.000 -0.145 0.000 0.805 411 A HN 0.576 nan 8.150 nan 0.000 0.449 412 L N 0.000 121.076 121.223 -0.245 0.000 2.949 412 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 412 L CA 0.000 54.711 54.840 -0.215 0.000 0.813 412 L CB 0.000 41.929 42.059 -0.217 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502