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 2iq6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPPITQQATV TAWLPQVDAS QITGTISSLE SFTNRFYTTT SGAQASDWIA DATA SEQUENCE SEWQALSASL PNASVKQVSH SGYNQKSVVM TITGSEAPDE WIVIGGHLDS DATA SEQUENCE TIGSHTNEQS VAPGADDDAS GIAAVTEVIR VLSENNFQPK RSIAFMAYAA DATA SEQUENCE EEVGLRGSQD LANQYKSEGK NVVSALQLDM TNYKGSAQDV VFITDYTDSN DATA SEQUENCE FTQYLTQLMD EYLPSLTYGF DTcGYAcSDH ASWHNAGYPA AMPFESKFND DATA SEQUENCE YNPRIHTTQD TLANSDPTGS HAKKFTQLGL AYAIEMGSAT G 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 0.000 176.180 176.300 -0.200 0.000 1.140 1 M CA 0.000 55.122 55.300 -0.297 0.000 0.988 1 M CB 0.000 32.400 32.600 -0.333 0.000 1.302 2 P HA 0.419 nan 4.420 nan 0.000 0.269 2 P C -2.650 174.696 177.300 0.076 0.000 1.215 2 P CA -0.493 62.571 63.100 -0.059 0.000 0.780 2 P CB -0.321 31.343 31.700 -0.060 0.000 0.898 3 P HA 0.256 nan 4.420 nan 0.000 0.274 3 P C -0.066 177.320 177.300 0.144 0.000 1.246 3 P CA -0.321 62.850 63.100 0.118 0.000 0.795 3 P CB 0.846 32.583 31.700 0.061 0.000 1.006 4 I N 1.890 122.534 120.570 0.122 0.000 2.406 4 I HA 0.040 4.210 4.170 0.000 0.000 0.293 4 I C 1.296 177.458 176.117 0.075 0.000 1.101 4 I CA 0.426 61.791 61.300 0.108 0.000 1.334 4 I CB 0.120 38.123 38.000 0.005 0.000 1.421 4 I HN 0.485 nan 8.210 nan 0.000 0.513 5 T N 0.751 115.359 114.554 0.090 0.000 3.087 5 T HA 0.125 4.475 4.350 0.000 0.000 0.283 5 T C 0.798 175.526 174.700 0.046 0.000 0.956 5 T CA -0.330 61.803 62.100 0.054 0.000 0.894 5 T CB 0.334 69.223 68.868 0.034 0.000 1.160 5 T HN 0.418 nan 8.240 nan 0.000 0.532 6 Q N 1.067 120.909 119.800 0.070 0.000 2.201 6 Q HA 0.310 4.650 4.340 0.000 0.000 0.236 6 Q C 1.033 177.038 176.000 0.008 0.000 0.857 6 Q CA -0.028 55.777 55.803 0.003 0.000 1.025 6 Q CB 0.713 29.423 28.738 -0.047 0.000 1.124 6 Q HN 0.509 nan 8.270 nan 0.000 0.473 7 Q N 1.156 121.025 119.800 0.114 0.000 2.133 7 Q HA -0.216 4.124 4.340 0.000 0.000 0.208 7 Q C 2.041 178.059 176.000 0.030 0.000 0.991 7 Q CA 2.306 58.219 55.803 0.183 0.000 0.867 7 Q CB -0.497 28.321 28.738 0.135 0.000 0.911 7 Q HN 0.502 nan 8.270 nan 0.000 0.417 8 A N -0.026 122.776 122.820 -0.030 0.000 1.873 8 A HA -0.262 4.058 4.320 0.000 0.000 0.218 8 A C 2.292 179.766 177.584 -0.183 0.000 1.193 8 A CA 2.221 54.214 52.037 -0.074 0.000 0.629 8 A CB -1.168 17.793 19.000 -0.065 0.000 0.826 8 A HN 0.445 nan 8.150 nan 0.000 0.447 9 T N -0.349 114.017 114.554 -0.314 0.000 2.668 9 T HA -0.100 4.250 4.350 0.000 0.000 0.262 9 T C 1.929 176.206 174.700 -0.705 0.000 1.045 9 T CA 1.590 63.280 62.100 -0.683 0.000 1.152 9 T CB -0.670 67.700 68.868 -0.829 0.000 0.864 9 T HN 0.151 nan 8.240 nan 0.000 0.419 10 V N 2.584 122.194 119.914 -0.506 0.000 2.252 10 V HA -0.240 3.880 4.120 0.000 0.000 0.249 10 V C 3.048 178.954 176.094 -0.313 0.000 1.056 10 V CA 2.374 64.371 62.300 -0.504 0.000 1.022 10 V CB -1.645 29.633 31.823 -0.909 0.000 0.641 10 V HN 0.769 nan 8.190 nan 0.000 0.445 11 T N -1.392 113.059 114.554 -0.172 0.000 2.962 11 T HA -0.038 4.312 4.350 0.000 0.000 0.270 11 T C 1.730 176.428 174.700 -0.004 0.000 1.088 11 T CA 1.372 63.453 62.100 -0.030 0.000 1.127 11 T CB -0.276 68.621 68.868 0.048 0.000 0.883 11 T HN 0.499 nan 8.240 nan 0.000 0.493 12 A N 0.093 122.895 122.820 -0.030 0.000 1.975 12 A HA 0.248 4.569 4.320 0.000 0.000 0.215 12 A C 1.952 179.718 177.584 0.304 0.000 1.170 12 A CA 0.425 52.522 52.037 0.099 0.000 0.656 12 A CB -0.692 18.357 19.000 0.081 0.000 0.821 12 A HN 0.637 nan 8.150 nan 0.000 0.449 13 W N -1.141 120.112 121.300 -0.077 0.000 2.630 13 W HA 0.246 4.906 4.660 0.000 0.000 0.271 13 W C 1.649 178.112 176.519 -0.094 0.000 1.244 13 W CA -0.314 56.977 57.345 -0.090 0.000 1.353 13 W CB -1.154 28.230 29.460 -0.127 0.000 1.080 13 W HN 0.261 nan 8.180 nan 0.000 0.594 14 L N 1.206 122.493 121.223 0.107 0.000 2.043 14 L HA -0.163 4.177 4.340 0.000 0.000 0.212 14 L C -0.578 176.315 176.870 0.038 0.000 1.075 14 L CA 2.232 57.089 54.840 0.029 0.000 0.752 14 L CB -1.838 40.202 42.059 -0.033 0.000 0.891 14 L HN -0.201 nan 8.230 nan 0.000 0.432 15 P HA -0.155 nan 4.420 nan 0.000 0.225 15 P C 1.216 178.532 177.300 0.028 0.000 1.148 15 P CA 1.064 64.186 63.100 0.038 0.000 0.779 15 P CB -0.027 31.699 31.700 0.043 0.000 0.780 16 Q N -1.036 118.781 119.800 0.028 0.000 2.378 16 Q HA 0.014 4.354 4.340 0.000 0.000 0.205 16 Q C 0.270 176.262 176.000 -0.013 0.000 0.954 16 Q CA 0.209 56.009 55.803 -0.006 0.000 0.901 16 Q CB -0.127 28.584 28.738 -0.045 0.000 0.981 16 Q HN 0.105 nan 8.270 nan 0.000 0.483 17 V N 2.630 122.544 119.914 0.001 0.000 2.557 17 V HA -0.074 4.047 4.120 0.000 0.000 0.301 17 V C 0.041 176.141 176.094 0.009 0.000 1.026 17 V CA 0.475 62.777 62.300 0.003 0.000 1.137 17 V CB 0.524 32.356 31.823 0.015 0.000 0.917 17 V HN 0.126 nan 8.190 nan 0.000 0.484 18 D N 3.991 124.396 120.400 0.009 0.000 2.414 18 D HA 0.506 5.146 4.640 0.000 0.000 0.232 18 D C 0.735 177.052 176.300 0.027 0.000 1.070 18 D CA -0.051 53.958 54.000 0.015 0.000 0.839 18 D CB 1.967 42.772 40.800 0.007 0.000 1.079 18 D HN 0.511 nan 8.370 nan 0.000 0.521 19 A N 3.036 125.875 122.820 0.031 0.000 1.978 19 A HA -0.177 4.143 4.320 0.000 0.000 0.220 19 A C 2.107 179.715 177.584 0.041 0.000 1.170 19 A CA 1.870 53.931 52.037 0.040 0.000 0.636 19 A CB -0.266 18.758 19.000 0.040 0.000 0.810 19 A HN 0.527 nan 8.150 nan 0.000 0.448 20 S N -1.157 114.563 115.700 0.033 0.000 2.382 20 S HA -0.181 4.289 4.470 0.000 0.000 0.228 20 S C 2.149 176.774 174.600 0.042 0.000 1.027 20 S CA 1.511 59.731 58.200 0.034 0.000 0.991 20 S CB -0.336 62.880 63.200 0.026 0.000 0.823 20 S HN 0.601 nan 8.310 nan 0.000 0.469 21 Q N 0.693 120.518 119.800 0.041 0.000 2.119 21 Q HA 0.030 4.370 4.340 0.000 0.000 0.201 21 Q C 2.237 178.281 176.000 0.073 0.000 0.972 21 Q CA 1.158 56.993 55.803 0.053 0.000 0.847 21 Q CB -0.529 28.232 28.738 0.038 0.000 0.903 21 Q HN 0.615 nan 8.270 nan 0.000 0.433 22 I N 1.028 121.638 120.570 0.067 0.000 2.142 22 I HA -0.283 3.887 4.170 0.000 0.000 0.240 22 I C 2.416 178.580 176.117 0.079 0.000 1.078 22 I CA 1.846 63.194 61.300 0.079 0.000 1.343 22 I CB -0.690 37.352 38.000 0.071 0.000 1.046 22 I HN 0.270 nan 8.210 nan 0.000 0.405 23 T N -1.295 113.297 114.554 0.063 0.000 2.915 23 T HA -0.062 4.288 4.350 0.000 0.000 0.269 23 T C 1.964 176.698 174.700 0.057 0.000 1.071 23 T CA 0.992 63.125 62.100 0.055 0.000 1.132 23 T CB -1.057 67.838 68.868 0.044 0.000 0.878 23 T HN 0.455 nan 8.240 nan 0.000 0.479 24 G N 1.368 110.209 108.800 0.068 0.000 2.418 24 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 24 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 24 G C 1.682 176.648 174.900 0.110 0.000 1.158 24 G CA 1.318 46.465 45.100 0.078 0.000 0.771 24 G HN 0.522 nan 8.290 nan 0.000 0.545 25 T N 1.281 115.923 114.554 0.147 0.000 2.770 25 T HA 0.005 4.355 4.350 0.000 0.000 0.263 25 T C 2.412 177.180 174.700 0.114 0.000 1.039 25 T CA 0.853 63.082 62.100 0.215 0.000 1.142 25 T CB -0.137 68.886 68.868 0.258 0.000 0.868 25 T HN 0.236 nan 8.240 nan 0.000 0.435 26 I N 2.069 122.688 120.570 0.083 0.000 2.163 26 I HA -0.224 3.946 4.170 0.000 0.000 0.243 26 I C 2.843 178.963 176.117 0.005 0.000 1.085 26 I CA 1.603 62.930 61.300 0.046 0.000 1.347 26 I CB -0.574 37.453 38.000 0.045 0.000 1.044 26 I HN 0.332 nan 8.210 nan 0.000 0.408 27 S N -0.251 115.451 115.700 0.002 0.000 2.399 27 S HA -0.140 4.330 4.470 0.000 0.000 0.231 27 S C 2.034 176.582 174.600 -0.088 0.000 1.022 27 S CA 1.463 59.647 58.200 -0.028 0.000 0.983 27 S CB -0.455 62.738 63.200 -0.012 0.000 0.803 27 S HN 0.334 nan 8.310 nan 0.000 0.480 28 S N 1.927 117.560 115.700 -0.112 0.000 2.371 28 S HA 0.204 4.674 4.470 0.000 0.000 0.224 28 S C 1.793 176.138 174.600 -0.425 0.000 1.029 28 S CA 1.020 59.050 58.200 -0.283 0.000 0.978 28 S CB -0.493 62.545 63.200 -0.269 0.000 0.833 28 S HN 0.435 nan 8.310 nan 0.000 0.466 29 L N 1.608 122.670 121.223 -0.267 0.000 2.056 29 L HA -0.137 4.203 4.340 0.000 0.000 0.207 29 L C 2.653 179.539 176.870 0.027 0.000 1.078 29 L CA 1.484 56.270 54.840 -0.089 0.000 0.749 29 L CB -0.657 41.396 42.059 -0.009 0.000 0.901 29 L HN 0.491 nan 8.230 nan 0.000 0.433 30 E N -0.059 120.125 120.200 -0.026 0.000 2.409 30 E HA -0.172 4.178 4.350 0.000 0.000 0.198 30 E C 1.919 178.497 176.600 -0.038 0.000 1.024 30 E CA 1.108 57.506 56.400 -0.002 0.000 0.861 30 E CB -0.189 29.507 29.700 -0.006 0.000 0.788 30 E HN 0.483 nan 8.360 nan 0.000 0.521 31 S N 0.065 115.681 115.700 -0.140 0.000 2.481 31 S HA -0.036 4.434 4.470 0.000 0.000 0.231 31 S C 0.420 174.886 174.600 -0.223 0.000 0.996 31 S CA -0.295 57.782 58.200 -0.205 0.000 0.942 31 S CB -0.530 62.487 63.200 -0.305 0.000 0.768 31 S HN 0.164 nan 8.310 nan 0.000 0.520 32 F N 3.150 123.015 119.950 -0.142 0.000 2.495 32 F HA 0.258 4.785 4.527 0.000 0.000 0.365 32 F C 2.040 177.801 175.800 -0.064 0.000 1.090 32 F CA 0.007 57.942 58.000 -0.108 0.000 1.235 32 F CB 0.291 39.223 39.000 -0.114 0.000 1.119 32 F HN 0.008 nan 8.300 nan 0.000 0.562 33 T N 1.969 116.605 114.554 0.137 0.000 2.620 33 T HA -0.237 4.113 4.350 0.000 0.000 0.267 33 T C 0.296 175.038 174.700 0.069 0.000 1.044 33 T CA 2.191 64.332 62.100 0.068 0.000 1.161 33 T CB -0.525 68.374 68.868 0.053 0.000 0.862 33 T HN 0.768 nan 8.240 nan 0.000 0.438 34 N N -0.901 117.858 118.700 0.098 0.000 3.020 34 N HA 0.398 5.138 4.740 0.000 0.000 0.248 34 N C -1.115 174.443 175.510 0.079 0.000 1.480 34 N CA -1.065 52.030 53.050 0.075 0.000 0.874 34 N CB 1.091 39.597 38.487 0.032 0.000 1.433 34 N HN -0.059 nan 8.380 nan 0.000 0.530 35 R N -0.606 119.942 120.500 0.081 0.000 2.727 35 R HA 0.282 4.622 4.340 0.000 0.000 0.410 35 R C -0.838 175.537 176.300 0.125 0.000 1.101 35 R CA -0.528 55.585 56.100 0.021 0.000 1.045 35 R CB -0.077 30.202 30.300 -0.035 0.000 1.380 35 R HN 0.361 nan 8.270 nan 0.000 0.587 36 F N 1.806 121.751 119.950 -0.009 0.000 2.563 36 F HA -0.113 4.414 4.527 0.000 0.000 0.363 36 F C 1.526 177.372 175.800 0.077 0.000 1.123 36 F CA -0.746 57.277 58.000 0.038 0.000 1.307 36 F CB 0.496 39.504 39.000 0.013 0.000 1.115 36 F HN 0.226 nan 8.300 nan 0.000 0.592 37 Y N 1.117 121.038 120.300 -0.632 0.000 2.384 37 Y HA -0.070 4.480 4.550 0.000 0.000 0.289 37 Y C 1.567 177.319 175.900 -0.246 0.000 1.152 37 Y CA 1.367 59.187 58.100 -0.466 0.000 1.258 37 Y CB -1.900 36.091 38.460 -0.782 0.000 0.979 37 Y HN 0.487 nan 8.280 nan 0.000 0.549 38 T N -2.505 111.648 114.554 -0.668 0.000 3.085 38 T HA 0.258 4.608 4.350 0.000 0.000 0.264 38 T C 0.551 175.196 174.700 -0.090 0.000 1.019 38 T CA 0.112 61.941 62.100 -0.452 0.000 0.910 38 T CB -0.763 67.729 68.868 -0.626 0.000 1.059 38 T HN 0.460 nan 8.240 nan 0.000 0.542 39 T N -0.653 113.918 114.554 0.028 0.000 2.936 39 T HA 0.432 4.782 4.350 0.000 0.000 0.282 39 T C 1.639 176.357 174.700 0.029 0.000 1.003 39 T CA 0.128 62.264 62.100 0.059 0.000 1.005 39 T CB 1.460 70.394 68.868 0.110 0.000 1.097 39 T HN 0.159 nan 8.240 nan 0.000 0.532 40 T N -1.012 113.561 114.554 0.032 0.000 2.812 40 T HA -0.120 4.230 4.350 0.000 0.000 0.264 40 T C 2.216 176.939 174.700 0.037 0.000 1.042 40 T CA 1.325 63.444 62.100 0.032 0.000 1.140 40 T CB -1.116 67.775 68.868 0.038 0.000 0.870 40 T HN 0.761 nan 8.240 nan 0.000 0.445 41 S N 1.516 117.249 115.700 0.055 0.000 2.423 41 S HA 0.104 4.575 4.470 0.000 0.000 0.231 41 S C 2.356 176.897 174.600 -0.097 0.000 1.014 41 S CA 0.784 59.025 58.200 0.069 0.000 0.965 41 S CB -1.233 62.056 63.200 0.147 0.000 0.785 41 S HN 0.669 nan 8.310 nan 0.000 0.495 42 G N 1.265 110.040 108.800 -0.043 0.000 2.403 42 G HA2 0.194 4.154 3.960 0.000 0.000 0.216 42 G HA3 0.194 4.154 3.960 0.000 0.000 0.216 42 G C 1.589 176.436 174.900 -0.090 0.000 1.154 42 G CA 0.551 45.610 45.100 -0.068 0.000 0.784 42 G HN 0.728 nan 8.290 nan 0.000 0.538 43 A N 0.477 123.272 122.820 -0.043 0.000 1.930 43 A HA 0.037 4.357 4.320 0.000 0.000 0.215 43 A C 2.291 179.848 177.584 -0.045 0.000 1.176 43 A CA 1.561 53.586 52.037 -0.020 0.000 0.632 43 A CB -0.289 18.715 19.000 0.007 0.000 0.819 43 A HN 0.421 nan 8.150 nan 0.000 0.445 44 Q N -0.393 119.373 119.800 -0.055 0.000 2.224 44 Q HA -0.034 4.306 4.340 0.000 0.000 0.203 44 Q C 2.287 178.202 176.000 -0.142 0.000 0.970 44 Q CA 1.101 56.904 55.803 0.000 0.000 0.865 44 Q CB -0.367 28.459 28.738 0.146 0.000 0.922 44 Q HN 0.674 nan 8.270 nan 0.000 0.445 45 A N 0.536 123.021 122.820 -0.558 0.000 1.930 45 A HA -0.193 4.127 4.320 0.000 0.000 0.217 45 A C 2.191 179.652 177.584 -0.204 0.000 1.175 45 A CA 1.648 53.193 52.037 -0.819 0.000 0.627 45 A CB -0.658 17.790 19.000 -0.920 0.000 0.815 45 A HN 0.301 nan 8.150 nan 0.000 0.443 46 S N -0.260 115.360 115.700 -0.133 0.000 2.368 46 S HA -0.184 4.286 4.470 0.000 0.000 0.225 46 S C 1.663 176.240 174.600 -0.038 0.000 1.030 46 S CA 1.718 59.877 58.200 -0.068 0.000 0.999 46 S CB -0.496 62.688 63.200 -0.027 0.000 0.844 46 S HN 0.557 nan 8.310 nan 0.000 0.459 47 D N -0.147 120.258 120.400 0.009 0.000 2.144 47 D HA -0.088 4.552 4.640 0.000 0.000 0.199 47 D C 1.316 177.660 176.300 0.074 0.000 0.984 47 D CA 0.876 54.898 54.000 0.036 0.000 0.834 47 D CB -0.442 40.398 40.800 0.067 0.000 0.955 47 D HN 0.650 nan 8.370 nan 0.000 0.465 48 W N 1.239 122.532 121.300 -0.012 0.000 2.381 48 W HA -0.066 4.594 4.660 0.000 0.000 0.301 48 W C 2.049 178.538 176.519 -0.050 0.000 1.205 48 W CA 1.060 58.436 57.345 0.052 0.000 1.285 48 W CB -0.288 29.324 29.460 0.253 0.000 1.133 48 W HN -0.128 nan 8.180 nan 0.000 0.521 49 I N 0.513 121.120 120.570 0.061 0.000 2.252 49 I HA -0.281 3.889 4.170 0.000 0.000 0.245 49 I C 2.606 178.391 176.117 -0.552 0.000 1.102 49 I CA 1.319 62.415 61.300 -0.340 0.000 1.385 49 I CB -1.018 36.737 38.000 -0.409 0.000 1.064 49 I HN 0.074 nan 8.210 nan 0.000 0.414 50 A N -0.133 122.493 122.820 -0.323 0.000 1.877 50 A HA -0.261 4.059 4.320 0.000 0.000 0.216 50 A C 2.501 180.001 177.584 -0.141 0.000 1.186 50 A CA 2.313 54.235 52.037 -0.192 0.000 0.620 50 A CB -0.905 18.041 19.000 -0.091 0.000 0.822 50 A HN 0.394 nan 8.150 nan 0.000 0.443 51 S N -0.830 114.759 115.700 -0.186 0.000 2.368 51 S HA -0.215 4.255 4.470 0.000 0.000 0.225 51 S C 2.041 176.496 174.600 -0.241 0.000 1.030 51 S CA 1.907 59.995 58.200 -0.187 0.000 0.999 51 S CB -0.324 62.750 63.200 -0.209 0.000 0.844 51 S HN 0.588 nan 8.310 nan 0.000 0.459 52 E N 0.240 120.183 120.200 -0.428 0.000 2.051 52 E HA -0.111 4.239 4.350 0.000 0.000 0.192 52 E C 1.641 178.233 176.600 -0.014 0.000 0.991 52 E CA 1.672 57.842 56.400 -0.383 0.000 0.799 52 E CB -0.388 28.898 29.700 -0.690 0.000 0.748 52 E HN 0.674 nan 8.360 nan 0.000 0.449 53 W N 0.641 121.826 121.300 -0.191 0.000 2.425 53 W HA -0.023 4.637 4.660 -0.000 0.000 0.277 53 W C 2.320 178.772 176.519 -0.112 0.000 1.231 53 W CA 0.854 58.118 57.345 -0.135 0.000 1.248 53 W CB -1.127 28.279 29.460 -0.089 0.000 1.117 53 W HN 0.274 nan 8.180 nan 0.000 0.568 54 Q N 0.826 120.695 119.800 0.115 0.000 2.046 54 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 54 Q C 2.281 178.285 176.000 0.008 0.000 0.975 54 Q CA 2.623 58.456 55.803 0.050 0.000 0.836 54 Q CB -0.874 27.875 28.738 0.018 0.000 0.896 54 Q HN 0.075 nan 8.270 nan 0.000 0.428 55 A N -0.157 122.652 122.820 -0.019 0.000 1.940 55 A HA -0.142 4.178 4.320 0.000 0.000 0.219 55 A C 1.936 179.499 177.584 -0.036 0.000 1.176 55 A CA 1.532 53.548 52.037 -0.036 0.000 0.631 55 A CB -0.641 18.323 19.000 -0.061 0.000 0.814 55 A HN 0.416 nan 8.150 nan 0.000 0.446 56 L N 0.381 121.584 121.223 -0.034 0.000 2.044 56 L HA -0.104 4.236 4.340 0.000 0.000 0.205 56 L C 2.893 179.716 176.870 -0.078 0.000 1.075 56 L CA 2.308 57.108 54.840 -0.066 0.000 0.747 56 L CB -0.753 41.249 42.059 -0.094 0.000 0.903 56 L HN 0.558 nan 8.230 nan 0.000 0.435 57 S N -0.858 114.805 115.700 -0.062 0.000 2.515 57 S HA -0.004 4.466 4.470 0.000 0.000 0.231 57 S C 2.100 176.683 174.600 -0.028 0.000 0.987 57 S CA 0.510 58.677 58.200 -0.054 0.000 0.936 57 S CB -0.420 62.763 63.200 -0.027 0.000 0.766 57 S HN 0.279 nan 8.310 nan 0.000 0.528 58 A N 2.390 125.196 122.820 -0.024 0.000 1.917 58 A HA -0.048 4.272 4.320 0.000 0.000 0.219 58 A C 2.057 179.627 177.584 -0.022 0.000 1.182 58 A CA 1.683 53.709 52.037 -0.018 0.000 0.633 58 A CB -1.188 17.801 19.000 -0.019 0.000 0.819 58 A HN 0.990 nan 8.150 nan 0.000 0.448 59 S N -1.057 114.623 115.700 -0.034 0.000 3.324 59 S HA 0.538 5.008 4.470 0.000 0.000 0.229 59 S C -0.485 174.093 174.600 -0.037 0.000 1.417 59 S CA -0.323 57.855 58.200 -0.036 0.000 1.211 59 S CB -0.483 62.690 63.200 -0.046 0.000 1.157 59 S HN 0.540 nan 8.310 nan 0.000 0.491 60 L N 1.681 122.889 121.223 -0.026 0.000 2.676 60 L HA 0.509 4.849 4.340 0.000 0.000 0.262 60 L C -2.780 174.085 176.870 -0.009 0.000 0.932 60 L CA -1.397 53.432 54.840 -0.019 0.000 0.932 60 L CB 1.964 44.010 42.059 -0.022 0.000 1.355 60 L HN 0.094 nan 8.230 nan 0.000 0.421 61 P HA 0.319 nan 4.420 nan 0.000 0.275 61 P C -0.594 176.699 177.300 -0.012 0.000 1.227 61 P CA 0.208 63.301 63.100 -0.012 0.000 0.781 61 P CB 0.766 32.455 31.700 -0.018 0.000 0.906 62 N N -1.464 117.232 118.700 -0.005 0.000 2.829 62 N HA -0.147 4.593 4.740 0.000 0.000 0.250 62 N C -0.210 175.316 175.510 0.026 0.000 1.090 62 N CA 1.222 54.271 53.050 -0.001 0.000 0.781 62 N CB -1.797 36.671 38.487 -0.031 0.000 1.124 62 N HN 0.698 nan 8.380 nan 0.000 0.559 63 A N 0.491 123.332 122.820 0.036 0.000 2.317 63 A HA 0.766 5.086 4.320 0.000 0.000 0.327 63 A C 0.368 177.996 177.584 0.073 0.000 1.178 63 A CA 0.105 52.179 52.037 0.063 0.000 0.817 63 A CB 1.320 20.344 19.000 0.040 0.000 1.189 63 A HN 0.454 nan 8.150 nan 0.000 0.489 64 S N 0.587 116.353 115.700 0.111 0.000 2.540 64 S HA 0.695 5.165 4.470 0.000 0.000 0.275 64 S C -1.108 173.582 174.600 0.149 0.000 1.123 64 S CA -0.630 57.637 58.200 0.112 0.000 0.907 64 S CB 1.387 64.653 63.200 0.111 0.000 1.081 64 S HN 0.870 nan 8.310 nan 0.000 0.476 65 V N 2.919 122.914 119.914 0.135 0.000 2.448 65 V HA 0.628 4.748 4.120 0.000 0.000 0.295 65 V C -0.330 175.842 176.094 0.130 0.000 1.025 65 V CA -0.487 61.916 62.300 0.171 0.000 0.859 65 V CB 1.415 33.343 31.823 0.175 0.000 0.988 65 V HN 0.977 nan 8.190 nan 0.000 0.431 66 K N 3.478 123.964 120.400 0.144 0.000 2.480 66 K HA 0.691 5.011 4.320 0.000 0.000 0.258 66 K C -1.304 175.345 176.600 0.081 0.000 0.990 66 K CA -0.960 55.385 56.287 0.095 0.000 0.857 66 K CB 2.782 35.337 32.500 0.092 0.000 1.384 66 K HN 0.563 nan 8.250 nan 0.000 0.446 67 Q N 1.126 120.949 119.800 0.038 0.000 2.330 67 Q HA 0.398 4.738 4.340 0.000 0.000 0.269 67 Q C -1.190 174.796 176.000 -0.024 0.000 1.022 67 Q CA -0.878 54.932 55.803 0.012 0.000 0.796 67 Q CB 2.452 31.186 28.738 -0.007 0.000 1.271 67 Q HN 0.252 nan 8.270 nan 0.000 0.450 68 V N 2.162 122.043 119.914 -0.054 0.000 2.407 68 V HA 0.280 4.400 4.120 0.000 0.000 0.278 68 V C -0.026 175.827 176.094 -0.402 0.000 1.037 68 V CA -0.495 61.703 62.300 -0.171 0.000 0.900 68 V CB 1.540 33.285 31.823 -0.129 0.000 0.983 68 V HN 0.743 nan 8.190 nan 0.000 0.459 69 S N 4.400 119.892 115.700 -0.346 0.000 2.565 69 S HA 0.464 4.934 4.470 0.000 0.000 0.274 69 S C -0.358 173.909 174.600 -0.555 0.000 1.309 69 S CA -0.470 57.511 58.200 -0.365 0.000 1.043 69 S CB 0.232 63.315 63.200 -0.194 0.000 0.939 69 S HN 0.735 nan 8.310 nan 0.000 0.504 70 H N 0.480 119.398 119.070 -0.254 0.000 2.622 70 H HA 0.384 4.941 4.556 0.000 0.000 0.363 70 H C -0.532 174.531 175.328 -0.441 0.000 1.151 70 H CA -0.625 55.204 56.048 -0.366 0.000 1.184 70 H CB 1.566 30.973 29.762 -0.591 0.000 1.643 70 H HN 0.436 nan 8.280 nan 0.000 0.531 71 S N 0.468 116.075 115.700 -0.155 0.000 2.499 71 S HA 0.403 4.873 4.470 0.000 0.000 0.275 71 S C 1.207 175.748 174.600 -0.099 0.000 1.257 71 S CA 0.486 58.615 58.200 -0.118 0.000 1.050 71 S CB 0.971 64.149 63.200 -0.037 0.000 0.937 71 S HN 0.971 nan 8.310 nan 0.000 0.490 72 G N 2.077 110.838 108.800 -0.064 0.000 2.316 72 G HA2 -0.151 3.809 3.960 0.000 0.000 0.203 72 G HA3 -0.151 3.809 3.960 0.000 0.000 0.203 72 G C -0.379 174.637 174.900 0.193 0.000 0.999 72 G CA 0.135 45.298 45.100 0.105 0.000 0.649 72 G HN 0.959 nan 8.290 nan 0.000 0.489 73 Y N -1.780 118.531 120.300 0.017 0.000 2.624 73 Y HA 0.730 5.280 4.550 0.000 0.000 0.334 73 Y C 0.251 176.142 175.900 -0.014 0.000 1.155 73 Y CA -1.126 56.938 58.100 -0.059 0.000 1.046 73 Y CB 0.088 38.486 38.460 -0.104 0.000 1.316 73 Y HN -0.169 nan 8.280 nan 0.000 0.457 74 N N 0.053 118.791 118.700 0.063 0.000 2.457 74 N HA -0.065 4.675 4.740 0.000 0.000 0.180 74 N C -0.089 175.469 175.510 0.081 0.000 1.050 74 N CA 0.463 53.526 53.050 0.022 0.000 0.906 74 N CB 0.167 38.658 38.487 0.007 0.000 0.968 74 N HN 0.786 nan 8.380 nan 0.000 0.445 75 Q N 1.479 121.422 119.800 0.238 0.000 2.289 75 Q HA 0.080 4.420 4.340 0.000 0.000 0.273 75 Q C -0.770 175.409 176.000 0.299 0.000 1.029 75 Q CA 0.323 56.275 55.803 0.249 0.000 0.896 75 Q CB 0.464 29.370 28.738 0.279 0.000 1.182 75 Q HN 0.046 nan 8.270 nan 0.000 0.385 76 K N 1.817 122.317 120.400 0.168 0.000 2.123 76 K HA 0.384 4.704 4.320 0.000 0.000 0.259 76 K C -0.699 176.012 176.600 0.184 0.000 0.960 76 K CA -0.618 55.751 56.287 0.136 0.000 0.872 76 K CB 1.785 34.289 32.500 0.006 0.000 1.079 76 K HN 0.445 nan 8.250 nan 0.000 0.440 77 S N 1.089 116.948 115.700 0.266 0.000 2.562 77 S HA 0.264 4.734 4.470 0.000 0.000 0.275 77 S C -0.272 174.394 174.600 0.109 0.000 1.281 77 S CA -0.877 57.475 58.200 0.254 0.000 1.045 77 S CB 0.972 64.433 63.200 0.435 0.000 0.962 77 S HN 0.253 nan 8.310 nan 0.000 0.503 78 V N 3.422 123.359 119.914 0.039 0.000 2.472 78 V HA 0.542 4.662 4.120 0.000 0.000 0.290 78 V C -0.390 175.821 176.094 0.194 0.000 1.037 78 V CA -0.529 61.781 62.300 0.016 0.000 0.908 78 V CB 1.470 33.139 31.823 -0.258 0.000 0.985 78 V HN 0.648 nan 8.190 nan 0.000 0.454 79 V N 5.610 125.688 119.914 0.274 0.000 2.569 79 V HA 0.488 4.608 4.120 0.000 0.000 0.301 79 V C -0.350 175.985 176.094 0.402 0.000 1.044 79 V CA -0.399 62.118 62.300 0.363 0.000 0.874 79 V CB 1.791 33.772 31.823 0.264 0.000 1.002 79 V HN 0.907 nan 8.190 nan 0.000 0.424 80 M N 4.728 124.616 119.600 0.480 0.000 2.436 80 M HA 0.749 5.229 4.480 0.000 0.000 0.331 80 M C -0.326 176.239 176.300 0.441 0.000 1.135 80 M CA -0.099 55.438 55.300 0.395 0.000 0.987 80 M CB 2.110 34.861 32.600 0.253 0.000 1.687 80 M HN 0.898 nan 8.290 nan 0.000 0.445 81 T N 2.295 117.071 114.554 0.371 0.000 2.906 81 T HA 0.752 5.102 4.350 0.000 0.000 0.295 81 T C -0.717 174.159 174.700 0.293 0.000 1.061 81 T CA -0.787 61.559 62.100 0.409 0.000 1.000 81 T CB 1.571 70.732 68.868 0.488 0.000 1.103 81 T HN 0.649 nan 8.240 nan 0.000 0.486 82 I N 1.802 122.502 120.570 0.216 0.000 2.512 82 I HA 0.290 4.460 4.170 0.000 0.000 0.287 82 I C -0.170 175.889 176.117 -0.096 0.000 1.069 82 I CA -0.833 60.517 61.300 0.083 0.000 1.056 82 I CB 2.431 40.503 38.000 0.121 0.000 1.229 82 I HN 0.697 nan 8.210 nan 0.000 0.429 83 T N 4.677 119.165 114.554 -0.110 0.000 2.814 83 T HA 0.265 4.615 4.350 0.000 0.000 0.297 83 T C 0.704 175.256 174.700 -0.247 0.000 0.956 83 T CA -0.351 61.618 62.100 -0.219 0.000 1.123 83 T CB 1.039 69.840 68.868 -0.112 0.000 0.902 83 T HN 0.753 nan 8.240 nan 0.000 0.528 84 G N 1.492 110.089 108.800 -0.338 0.000 2.554 84 G HA2 0.268 4.228 3.960 0.000 0.000 0.238 84 G HA3 0.268 4.228 3.960 0.000 0.000 0.238 84 G C 1.096 175.870 174.900 -0.210 0.000 1.259 84 G CA -0.283 44.643 45.100 -0.289 0.000 0.843 84 G HN 0.765 nan 8.290 nan 0.000 0.582 85 S N -0.533 115.056 115.700 -0.186 0.000 2.439 85 S HA -0.004 4.466 4.470 0.000 0.000 0.224 85 S C 1.613 176.143 174.600 -0.116 0.000 1.029 85 S CA 1.100 59.218 58.200 -0.137 0.000 0.946 85 S CB 0.123 63.247 63.200 -0.127 0.000 0.797 85 S HN 0.736 nan 8.310 nan 0.000 0.504 86 E N 1.241 121.366 120.200 -0.126 0.000 2.228 86 E HA 0.368 4.718 4.350 0.000 0.000 0.197 86 E C 0.536 177.072 176.600 -0.106 0.000 0.909 86 E CA 0.466 56.806 56.400 -0.102 0.000 0.911 86 E CB 0.466 30.111 29.700 -0.091 0.000 0.887 86 E HN 0.496 nan 8.360 nan 0.000 0.481 87 A N 2.009 124.747 122.820 -0.136 0.000 3.248 87 A HA 0.312 4.632 4.320 0.000 0.000 0.315 87 A C -2.025 175.435 177.584 -0.206 0.000 0.974 87 A CA -1.069 50.885 52.037 -0.139 0.000 0.939 87 A CB 0.522 19.449 19.000 -0.123 0.000 1.061 87 A HN 0.165 nan 8.150 nan 0.000 0.481 88 P HA -0.145 nan 4.420 nan 0.000 0.226 88 P C 0.074 177.174 177.300 -0.333 0.000 1.146 88 P CA 1.100 64.018 63.100 -0.304 0.000 0.773 88 P CB 0.379 31.963 31.700 -0.194 0.000 0.772 89 D N -0.220 120.076 120.400 -0.173 0.000 2.333 89 D HA 0.021 4.662 4.640 0.000 0.000 0.208 89 D C 0.516 176.811 176.300 -0.007 0.000 0.984 89 D CA 0.525 54.507 54.000 -0.030 0.000 0.873 89 D CB 0.065 40.879 40.800 0.022 0.000 0.935 89 D HN 0.372 nan 8.370 nan 0.000 0.521 90 E N 0.169 120.278 120.200 -0.151 0.000 2.167 90 E HA 0.220 4.570 4.350 0.000 0.000 0.284 90 E C -0.648 175.816 176.600 -0.226 0.000 1.016 90 E CA -0.424 55.922 56.400 -0.089 0.000 0.817 90 E CB 0.953 30.590 29.700 -0.105 0.000 1.080 90 E HN 0.022 nan 8.360 nan 0.000 0.397 91 W N 3.322 124.567 121.300 -0.091 0.000 2.520 91 W HA 0.366 5.026 4.660 -0.000 0.000 0.323 91 W C -0.421 175.994 176.519 -0.174 0.000 1.062 91 W CA -0.606 56.674 57.345 -0.108 0.000 1.215 91 W CB 0.968 30.400 29.460 -0.046 0.000 1.340 91 W HN 0.291 nan 8.180 nan 0.000 0.516 92 I N 4.339 124.916 120.570 0.012 0.000 2.362 92 I HA 0.371 4.541 4.170 0.000 0.000 0.289 92 I C -0.380 175.680 176.117 -0.096 0.000 0.994 92 I CA -1.130 60.098 61.300 -0.121 0.000 1.158 92 I CB 0.849 38.685 38.000 -0.272 0.000 1.315 92 I HN 0.034 nan 8.210 nan 0.000 0.451 93 V N 7.522 127.375 119.914 -0.103 0.000 2.628 93 V HA 0.586 4.706 4.120 0.000 0.000 0.306 93 V C -0.211 175.904 176.094 0.035 0.000 1.045 93 V CA -0.722 61.486 62.300 -0.154 0.000 0.905 93 V CB 2.971 34.498 31.823 -0.492 0.000 0.997 93 V HN 0.626 nan 8.190 nan 0.000 0.436 94 I N 2.394 122.977 120.570 0.022 0.000 2.692 94 I HA 0.867 5.037 4.170 0.000 0.000 0.293 94 I C -0.172 176.044 176.117 0.165 0.000 1.200 94 I CA 0.092 61.490 61.300 0.164 0.000 1.036 94 I CB 2.097 40.241 38.000 0.240 0.000 1.258 94 I HN 0.816 nan 8.210 nan 0.000 0.421 95 G N 3.685 112.628 108.800 0.238 0.000 2.488 95 G HA2 0.710 4.670 3.960 0.000 0.000 0.301 95 G HA3 0.710 4.670 3.960 0.000 0.000 0.301 95 G C -1.462 173.620 174.900 0.303 0.000 1.339 95 G CA -0.168 45.067 45.100 0.224 0.000 0.803 95 G HN 0.973 nan 8.290 nan 0.000 0.482 96 G N -1.646 107.305 108.800 0.252 0.000 2.649 96 G HA2 0.695 4.656 3.960 0.000 0.000 0.290 96 G HA3 0.695 4.656 3.960 0.000 0.000 0.290 96 G C -1.370 173.719 174.900 0.316 0.000 1.426 96 G CA -0.264 45.008 45.100 0.287 0.000 0.794 96 G HN 1.490 nan 8.290 nan 0.000 0.483 97 H N -1.257 117.983 119.070 0.284 0.000 2.479 97 H HA 0.587 5.143 4.556 0.000 0.000 0.335 97 H C 0.836 176.242 175.328 0.130 0.000 1.142 97 H CA -0.938 55.253 56.048 0.237 0.000 1.234 97 H CB 1.526 31.414 29.762 0.210 0.000 1.503 97 H HN 0.474 nan 8.280 nan 0.000 0.510 98 L N -1.051 120.295 121.223 0.206 0.000 2.567 98 L HA 0.222 4.562 4.340 0.000 0.000 0.225 98 L C 0.126 177.071 176.870 0.125 0.000 1.119 98 L CA -0.173 54.724 54.840 0.094 0.000 0.871 98 L CB -0.740 41.332 42.059 0.021 0.000 1.036 98 L HN 0.703 nan 8.230 nan 0.000 0.459 99 D N 0.554 121.107 120.400 0.256 0.000 2.348 99 D HA 0.479 5.119 4.640 0.000 0.000 0.249 99 D C -0.021 176.426 176.300 0.244 0.000 1.110 99 D CA 0.071 54.175 54.000 0.173 0.000 0.967 99 D CB 1.579 42.410 40.800 0.051 0.000 1.139 99 D HN 0.266 nan 8.370 nan 0.000 0.466 100 S N -1.034 114.777 115.700 0.185 0.000 2.627 100 S HA 0.715 5.185 4.470 0.000 0.000 0.283 100 S C -0.568 174.139 174.600 0.178 0.000 1.127 100 S CA -0.744 57.563 58.200 0.179 0.000 0.863 100 S CB 2.114 65.391 63.200 0.128 0.000 1.121 100 S HN 0.777 nan 8.310 nan 0.000 0.479 101 T N -0.360 114.225 114.554 0.051 0.000 2.769 101 T HA 0.585 4.935 4.350 0.000 0.000 0.306 101 T C -0.601 173.985 174.700 -0.189 0.000 1.400 101 T CA -0.282 61.773 62.100 -0.075 0.000 1.007 101 T CB 1.176 70.011 68.868 -0.055 0.000 1.392 101 T HN 1.217 nan 8.240 nan 0.000 0.500 102 I N -0.734 119.678 120.570 -0.264 0.000 4.541 102 I HA 0.727 4.898 4.170 0.000 0.000 0.337 102 I C 0.558 176.584 176.117 -0.152 0.000 1.338 102 I CA -0.449 60.752 61.300 -0.164 0.000 1.244 102 I CB 0.580 38.482 38.000 -0.164 0.000 1.417 102 I HN 0.880 nan 8.210 nan 0.000 0.501 103 G N 1.541 110.192 108.800 -0.247 0.000 2.359 103 G HA2 0.081 4.041 3.960 0.000 0.000 0.293 103 G HA3 0.081 4.041 3.960 0.000 0.000 0.293 103 G C 0.145 174.983 174.900 -0.105 0.000 1.300 103 G CA 0.048 45.118 45.100 -0.050 0.000 0.888 103 G HN 0.152 nan 8.290 nan 0.000 0.541 104 S N -0.591 115.175 115.700 0.109 0.000 2.489 104 S HA -0.066 4.404 4.470 0.000 0.000 0.228 104 S C 1.637 176.269 174.600 0.054 0.000 0.995 104 S CA 1.710 59.980 58.200 0.116 0.000 0.934 104 S CB -0.451 62.829 63.200 0.133 0.000 0.771 104 S HN 1.179 nan 8.310 nan 0.000 0.522 105 H N 0.786 119.795 119.070 -0.103 0.000 2.543 105 H HA 0.221 4.777 4.556 0.000 0.000 0.269 105 H C -0.331 174.864 175.328 -0.222 0.000 1.005 105 H CA 0.279 56.259 56.048 -0.114 0.000 1.146 105 H CB -1.517 28.198 29.762 -0.078 0.000 1.353 105 H HN 0.164 nan 8.280 nan 0.000 0.595 106 T N 3.405 117.507 114.554 -0.753 0.000 2.902 106 T HA 0.150 4.500 4.350 0.000 0.000 0.301 106 T C 0.552 174.839 174.700 -0.687 0.000 1.012 106 T CA 0.132 61.683 62.100 -0.915 0.000 1.151 106 T CB 0.332 68.342 68.868 -1.430 0.000 0.946 106 T HN 0.767 nan 8.240 nan 0.000 0.542 107 N N 1.058 119.528 118.700 -0.383 0.000 3.102 107 N HA 0.365 5.105 4.740 0.000 0.000 0.299 107 N C 0.695 176.148 175.510 -0.095 0.000 1.482 107 N CA -0.963 51.986 53.050 -0.167 0.000 0.785 107 N CB 0.562 38.994 38.487 -0.091 0.000 1.680 107 N HN 0.152 nan 8.380 nan 0.000 0.594 108 E N -0.209 119.974 120.200 -0.028 0.000 2.136 108 E HA -0.257 4.093 4.350 0.000 0.000 0.208 108 E C 1.148 177.739 176.600 -0.015 0.000 1.035 108 E CA 1.991 58.388 56.400 -0.004 0.000 0.838 108 E CB -0.277 29.425 29.700 0.004 0.000 0.748 108 E HN 0.760 nan 8.360 nan 0.000 0.459 109 Q N 0.289 120.071 119.800 -0.030 0.000 2.403 109 Q HA 0.112 4.452 4.340 0.000 0.000 0.203 109 Q C 0.407 176.378 176.000 -0.047 0.000 0.932 109 Q CA 0.074 55.860 55.803 -0.028 0.000 0.945 109 Q CB 0.054 28.780 28.738 -0.021 0.000 1.045 109 Q HN -0.119 nan 8.270 nan 0.000 0.511 110 S N 1.367 117.016 115.700 -0.086 0.000 2.516 110 S HA 0.192 4.662 4.470 0.000 0.000 0.282 110 S C 0.046 174.598 174.600 -0.080 0.000 1.286 110 S CA -0.433 57.695 58.200 -0.120 0.000 1.066 110 S CB 1.204 64.260 63.200 -0.240 0.000 0.884 110 S HN 0.144 nan 8.310 nan 0.000 0.491 111 V N 3.595 123.474 119.914 -0.058 0.000 2.338 111 V HA 0.429 4.549 4.120 0.000 0.000 0.255 111 V C 0.432 176.507 176.094 -0.031 0.000 1.082 111 V CA -0.308 61.974 62.300 -0.030 0.000 0.951 111 V CB 0.030 31.842 31.823 -0.019 0.000 1.102 111 V HN 0.937 nan 8.190 nan 0.000 0.489 112 A N 8.040 130.849 122.820 -0.018 0.000 2.842 112 A HA 0.613 4.933 4.320 0.000 0.000 0.339 112 A C -1.157 176.446 177.584 0.032 0.000 1.177 112 A CA -1.225 50.810 52.037 -0.003 0.000 0.797 112 A CB 0.849 19.834 19.000 -0.024 0.000 1.094 112 A HN 0.570 nan 8.150 nan 0.000 0.474 113 P HA -0.127 nan 4.420 nan 0.000 0.218 113 P C 1.190 178.518 177.300 0.048 0.000 1.149 113 P CA 1.611 64.732 63.100 0.036 0.000 0.817 113 P CB -0.053 31.659 31.700 0.020 0.000 0.785 114 G N 0.416 109.251 108.800 0.059 0.000 2.441 114 G HA2 -0.235 3.725 3.960 0.000 0.000 0.298 114 G HA3 -0.235 3.725 3.960 0.000 0.000 0.298 114 G C 1.128 176.057 174.900 0.048 0.000 0.949 114 G CA 0.480 45.624 45.100 0.074 0.000 1.072 114 G HN 0.564 nan 8.290 nan 0.000 0.512 115 A N -0.374 122.467 122.820 0.036 0.000 1.858 115 A HA 0.016 4.336 4.320 0.000 0.000 0.216 115 A C 2.137 179.733 177.584 0.021 0.000 1.190 115 A CA 2.274 54.327 52.037 0.027 0.000 0.617 115 A CB -0.249 18.766 19.000 0.025 0.000 0.827 115 A HN 0.545 nan 8.150 nan 0.000 0.443 116 D N -0.229 120.183 120.400 0.019 0.000 2.149 116 D HA -0.069 4.571 4.640 0.000 0.000 0.206 116 D C 0.317 176.610 176.300 -0.011 0.000 0.967 116 D CA 0.465 54.467 54.000 0.003 0.000 0.848 116 D CB -0.269 40.532 40.800 0.002 0.000 0.998 116 D HN 0.219 nan 8.370 nan 0.000 0.474 117 D N 0.967 121.379 120.400 0.020 0.000 2.479 117 D HA -0.036 4.605 4.640 0.000 0.000 0.253 117 D C 0.019 176.306 176.300 -0.020 0.000 1.278 117 D CA 0.500 54.531 54.000 0.051 0.000 1.145 117 D CB -0.253 40.643 40.800 0.161 0.000 1.118 117 D HN 0.174 nan 8.370 nan 0.000 0.513 118 D N 1.111 121.444 120.400 -0.112 0.000 2.705 118 D HA -0.281 4.360 4.640 0.000 0.000 0.187 118 D C 1.167 177.399 176.300 -0.113 0.000 1.015 118 D CA 1.186 55.047 54.000 -0.231 0.000 1.030 118 D CB -0.888 39.446 40.800 -0.777 0.000 1.100 118 D HN 0.529 nan 8.370 nan 0.000 0.439 119 A N 0.573 123.367 122.820 -0.042 0.000 1.930 119 A HA -0.127 4.193 4.320 0.000 0.000 0.217 119 A C 2.281 179.881 177.584 0.026 0.000 1.175 119 A CA 2.635 54.678 52.037 0.010 0.000 0.627 119 A CB -0.463 18.552 19.000 0.024 0.000 0.815 119 A HN 0.491 nan 8.150 nan 0.000 0.443 120 S N -0.444 115.256 115.700 0.000 0.000 2.383 120 S HA 0.017 4.487 4.470 0.000 0.000 0.227 120 S C 1.992 176.591 174.600 -0.002 0.000 1.026 120 S CA 1.309 59.509 58.200 -0.001 0.000 0.981 120 S CB -1.002 62.175 63.200 -0.038 0.000 0.818 120 S HN 0.618 nan 8.310 nan 0.000 0.472 121 G N 1.917 110.703 108.800 -0.023 0.000 2.394 121 G HA2 0.011 3.971 3.960 0.000 0.000 0.215 121 G HA3 0.011 3.971 3.960 0.000 0.000 0.215 121 G C 1.370 176.325 174.900 0.090 0.000 1.165 121 G CA 0.776 45.881 45.100 0.008 0.000 0.784 121 G HN 0.467 nan 8.290 nan 0.000 0.535 122 I N 1.800 122.427 120.570 0.096 0.000 2.353 122 I HA -0.025 4.145 4.170 0.000 0.000 0.248 122 I C 3.170 179.435 176.117 0.246 0.000 1.119 122 I CA 0.997 62.415 61.300 0.197 0.000 1.417 122 I CB -1.171 36.923 38.000 0.156 0.000 1.078 122 I HN 0.244 nan 8.210 nan 0.000 0.421 123 A N 0.986 123.911 122.820 0.175 0.000 1.933 123 A HA -0.087 4.233 4.320 0.000 0.000 0.218 123 A C 2.593 180.268 177.584 0.152 0.000 1.175 123 A CA 1.794 53.936 52.037 0.175 0.000 0.628 123 A CB -0.651 18.424 19.000 0.126 0.000 0.814 123 A HN 0.389 nan 8.150 nan 0.000 0.444 124 A N -0.379 122.517 122.820 0.128 0.000 1.858 124 A HA -0.036 4.284 4.320 0.000 0.000 0.216 124 A C 2.222 179.883 177.584 0.130 0.000 1.190 124 A CA 1.902 54.010 52.037 0.119 0.000 0.617 124 A CB -1.082 17.986 19.000 0.114 0.000 0.827 124 A HN 0.439 nan 8.150 nan 0.000 0.443 125 V N -0.007 120.009 119.914 0.170 0.000 2.332 125 V HA -0.250 3.871 4.120 0.000 0.000 0.248 125 V C 2.713 178.822 176.094 0.026 0.000 1.055 125 V CA 2.488 64.884 62.300 0.160 0.000 1.038 125 V CB -1.470 30.509 31.823 0.261 0.000 0.651 125 V HN 0.621 nan 8.190 nan 0.000 0.450 126 T N -0.352 114.291 114.554 0.148 0.000 2.788 126 T HA -0.221 4.129 4.350 0.000 0.000 0.268 126 T C 1.922 176.605 174.700 -0.030 0.000 1.044 126 T CA 1.775 63.935 62.100 0.100 0.000 1.139 126 T CB -0.215 68.869 68.868 0.360 0.000 0.867 126 T HN 0.533 nan 8.240 nan 0.000 0.454 127 E N 0.952 121.165 120.200 0.021 0.000 2.152 127 E HA -0.053 4.297 4.350 0.000 0.000 0.192 127 E C 2.059 178.625 176.600 -0.057 0.000 0.983 127 E CA 0.606 57.002 56.400 -0.008 0.000 0.818 127 E CB -0.536 29.182 29.700 0.030 0.000 0.758 127 E HN 0.255 nan 8.360 nan 0.000 0.467 128 V N 0.703 120.591 119.914 -0.043 0.000 2.343 128 V HA -0.237 3.883 4.120 0.000 0.000 0.247 128 V C 2.350 178.339 176.094 -0.175 0.000 1.051 128 V CA 1.772 64.047 62.300 -0.041 0.000 1.036 128 V CB -0.407 31.464 31.823 0.080 0.000 0.654 128 V HN 0.326 nan 8.190 nan 0.000 0.451 129 I N -0.513 119.836 120.570 -0.369 0.000 2.252 129 I HA -0.241 3.929 4.170 0.000 0.000 0.245 129 I C 2.743 178.643 176.117 -0.362 0.000 1.102 129 I CA 1.631 62.563 61.300 -0.613 0.000 1.385 129 I CB -0.430 37.012 38.000 -0.930 0.000 1.064 129 I HN 0.216 nan 8.210 nan 0.000 0.414 130 R N 0.824 121.174 120.500 -0.251 0.000 2.080 130 R HA -0.177 4.164 4.340 0.000 0.000 0.236 130 R C 2.307 178.492 176.300 -0.192 0.000 1.137 130 R CA 1.934 57.927 56.100 -0.178 0.000 0.943 130 R CB -0.261 29.973 30.300 -0.109 0.000 0.846 130 R HN 0.162 nan 8.270 nan 0.000 0.431 131 V N 1.459 121.260 119.914 -0.189 0.000 2.343 131 V HA -0.254 3.866 4.120 0.000 0.000 0.247 131 V C 2.408 178.285 176.094 -0.362 0.000 1.051 131 V CA 1.723 63.879 62.300 -0.241 0.000 1.036 131 V CB -0.414 31.308 31.823 -0.168 0.000 0.654 131 V HN 0.344 nan 8.190 nan 0.000 0.451 132 L N -0.344 120.705 121.223 -0.290 0.000 2.046 132 L HA -0.140 4.200 4.340 0.000 0.000 0.208 132 L C 2.635 179.386 176.870 -0.199 0.000 1.077 132 L CA 1.613 56.292 54.840 -0.269 0.000 0.747 132 L CB -0.675 41.315 42.059 -0.115 0.000 0.896 132 L HN 0.288 nan 8.230 nan 0.000 0.432 133 S N -0.445 115.141 115.700 -0.191 0.000 2.368 133 S HA -0.206 4.264 4.470 0.000 0.000 0.225 133 S C 1.878 176.378 174.600 -0.166 0.000 1.030 133 S CA 1.254 59.366 58.200 -0.148 0.000 0.999 133 S CB -0.149 62.956 63.200 -0.157 0.000 0.844 133 S HN 0.327 nan 8.310 nan 0.000 0.459 134 E N 1.638 121.707 120.200 -0.220 0.000 2.204 134 E HA 0.017 4.367 4.350 0.000 0.000 0.195 134 E C 1.057 177.485 176.600 -0.286 0.000 0.990 134 E CA 0.709 56.976 56.400 -0.222 0.000 0.821 134 E CB -0.015 29.549 29.700 -0.228 0.000 0.750 134 E HN 0.331 nan 8.360 nan 0.000 0.477 135 N N 0.594 119.027 118.700 -0.445 0.000 2.251 135 N HA 0.071 4.811 4.740 0.000 0.000 0.217 135 N C -0.845 174.527 175.510 -0.230 0.000 1.124 135 N CA 0.084 52.802 53.050 -0.553 0.000 0.843 135 N CB 0.084 37.650 38.487 -1.534 0.000 1.024 135 N HN 0.220 nan 8.380 nan 0.000 0.501 136 N N 0.878 119.510 118.700 -0.113 0.000 2.705 136 N HA -0.231 4.509 4.740 0.000 0.000 0.255 136 N C -0.747 174.843 175.510 0.132 0.000 1.008 136 N CA 0.004 53.058 53.050 0.007 0.000 0.742 136 N CB -1.312 37.182 38.487 0.012 0.000 0.906 136 N HN 0.219 nan 8.380 nan 0.000 0.541 137 F N 1.872 121.811 119.950 -0.017 0.000 2.578 137 F HA 0.140 4.667 4.527 0.000 0.000 0.381 137 F C 0.734 176.586 175.800 0.086 0.000 1.069 137 F CA 0.124 58.204 58.000 0.134 0.000 1.231 137 F CB 0.799 39.892 39.000 0.154 0.000 1.086 137 F HN 0.160 nan 8.300 nan 0.000 0.564 138 Q N 8.842 128.402 119.800 -0.401 0.000 2.771 138 Q HA 0.390 4.730 4.340 0.000 0.000 0.247 138 Q C -2.753 172.830 176.000 -0.694 0.000 0.986 138 Q CA -2.360 53.176 55.803 -0.444 0.000 0.713 138 Q CB 0.760 29.387 28.738 -0.183 0.000 1.241 138 Q HN 0.359 nan 8.270 nan 0.000 0.488 139 P HA 0.123 nan 4.420 nan 0.000 0.274 139 P C -0.324 176.753 177.300 -0.373 0.000 1.237 139 P CA -0.157 62.501 63.100 -0.736 0.000 0.793 139 P CB 1.427 32.751 31.700 -0.626 0.000 0.977 140 K N 0.538 120.786 120.400 -0.254 0.000 2.186 140 K HA 0.042 4.362 4.320 0.000 0.000 0.202 140 K C 1.220 177.691 176.600 -0.215 0.000 1.052 140 K CA 0.738 56.909 56.287 -0.193 0.000 0.965 140 K CB 0.124 32.542 32.500 -0.136 0.000 0.746 140 K HN 0.391 nan 8.250 nan 0.000 0.457 141 R N 0.441 120.800 120.500 -0.236 0.000 2.691 141 R HA 0.291 4.631 4.340 0.000 0.000 0.259 141 R C -0.385 175.678 176.300 -0.394 0.000 1.048 141 R CA -0.470 55.456 56.100 -0.291 0.000 1.086 141 R CB 1.723 31.878 30.300 -0.242 0.000 1.166 141 R HN -0.100 nan 8.270 nan 0.000 0.526 142 S N 0.956 116.282 115.700 -0.623 0.000 2.586 142 S HA 0.421 4.891 4.470 0.000 0.000 0.274 142 S C -0.033 174.210 174.600 -0.595 0.000 1.281 142 S CA -0.409 57.262 58.200 -0.882 0.000 1.035 142 S CB 0.531 62.542 63.200 -1.981 0.000 0.962 142 S HN 0.297 nan 8.310 nan 0.000 0.512 143 I N 1.631 122.007 120.570 -0.324 0.000 2.545 143 I HA 0.624 4.794 4.170 0.000 0.000 0.292 143 I C -0.351 175.767 176.117 0.002 0.000 1.040 143 I CA -0.825 60.376 61.300 -0.166 0.000 1.068 143 I CB 1.940 39.803 38.000 -0.227 0.000 1.251 143 I HN 0.632 nan 8.210 nan 0.000 0.424 144 A N 6.009 128.808 122.820 -0.036 0.000 2.343 144 A HA 0.818 5.138 4.320 0.000 0.000 0.308 144 A C -1.262 176.163 177.584 -0.266 0.000 1.092 144 A CA -0.322 51.753 52.037 0.064 0.000 0.751 144 A CB 0.520 19.682 19.000 0.269 0.000 1.203 144 A HN 0.498 nan 8.150 nan 0.000 0.452 145 F N 2.074 122.067 119.950 0.072 0.000 2.415 145 F HA 0.659 5.186 4.527 -0.000 0.000 0.348 145 F C 0.420 176.287 175.800 0.112 0.000 1.119 145 F CA -0.303 57.671 58.000 -0.045 0.000 1.069 145 F CB 1.628 40.388 39.000 -0.402 0.000 1.124 145 F HN 0.390 nan 8.300 nan 0.000 0.472 146 M N 2.871 122.619 119.600 0.247 0.000 2.464 146 M HA 0.720 5.200 4.480 0.000 0.000 0.308 146 M C -0.808 175.494 176.300 0.002 0.000 1.127 146 M CA -0.932 54.437 55.300 0.114 0.000 0.913 146 M CB 2.492 34.951 32.600 -0.235 0.000 1.689 146 M HN 0.621 nan 8.290 nan 0.000 0.445 147 A N 2.684 125.485 122.820 -0.031 0.000 2.536 147 A HA 0.655 4.976 4.320 0.000 0.000 0.329 147 A C -1.458 176.079 177.584 -0.079 0.000 1.321 147 A CA -0.543 51.450 52.037 -0.073 0.000 0.804 147 A CB 0.038 18.934 19.000 -0.174 0.000 1.126 147 A HN 0.708 nan 8.150 nan 0.000 0.480 148 Y N 1.055 121.485 120.300 0.217 0.000 2.411 148 Y HA 0.395 4.945 4.550 -0.000 0.000 0.333 148 Y C 1.019 176.999 175.900 0.134 0.000 1.186 148 Y CA 0.439 58.643 58.100 0.174 0.000 1.381 148 Y CB 0.689 39.241 38.460 0.153 0.000 1.273 148 Y HN 0.733 nan 8.280 nan 0.000 0.546 149 A N 2.134 125.108 122.820 0.256 0.000 2.269 149 A HA 0.693 5.013 4.320 0.000 0.000 0.319 149 A C 0.748 178.305 177.584 -0.044 0.000 1.110 149 A CA -0.449 51.679 52.037 0.151 0.000 0.847 149 A CB 0.015 19.192 19.000 0.295 0.000 1.161 149 A HN 1.642 nan 8.150 nan 0.000 0.497 150 A N -0.134 122.560 122.820 -0.209 0.000 2.771 150 A HA -0.193 4.127 4.320 0.000 0.000 0.294 150 A C 1.337 178.623 177.584 -0.495 0.000 1.500 150 A CA 1.412 53.111 52.037 -0.564 0.000 0.829 150 A CB -1.756 16.671 19.000 -0.956 0.000 0.998 150 A HN 0.993 nan 8.150 nan 0.000 0.526 151 E N 0.364 120.334 120.200 -0.383 0.000 2.072 151 E HA -0.179 4.171 4.350 0.000 0.000 0.191 151 E C 1.423 177.745 176.600 -0.464 0.000 0.985 151 E CA 1.432 57.571 56.400 -0.434 0.000 0.801 151 E CB -0.126 29.214 29.700 -0.600 0.000 0.750 151 E HN 0.772 nan 8.360 nan 0.000 0.452 152 E N 0.415 120.322 120.200 -0.488 0.000 2.515 152 E HA -0.075 4.275 4.350 0.000 0.000 0.201 152 E C 1.208 177.612 176.600 -0.328 0.000 1.071 152 E CA 0.692 56.891 56.400 -0.334 0.000 0.880 152 E CB 0.206 29.769 29.700 -0.228 0.000 0.828 152 E HN 0.230 nan 8.360 nan 0.000 0.540 153 V N -3.993 115.631 119.914 -0.484 0.000 2.778 153 V HA 0.660 4.780 4.120 0.000 0.000 0.356 153 V C 0.682 176.540 176.094 -0.393 0.000 1.283 153 V CA -0.087 61.920 62.300 -0.488 0.000 1.247 153 V CB 0.317 31.606 31.823 -0.889 0.000 1.408 153 V HN 0.093 nan 8.190 nan 0.000 0.620 154 G N 1.026 109.649 108.800 -0.294 0.000 2.145 154 G HA2 -0.151 3.809 3.960 0.000 0.000 0.145 154 G HA3 -0.151 3.809 3.960 0.000 0.000 0.145 154 G C 0.197 174.945 174.900 -0.253 0.000 1.017 154 G CA -0.317 44.643 45.100 -0.233 0.000 0.682 154 G HN 1.263 nan 8.290 nan 0.000 0.504 155 L N -1.569 119.478 121.223 -0.293 0.000 3.678 155 L HA -0.312 4.028 4.340 0.000 0.000 0.425 155 L C 2.250 178.947 176.870 -0.288 0.000 1.240 155 L CA 1.237 55.898 54.840 -0.299 0.000 0.876 155 L CB -1.599 40.282 42.059 -0.296 0.000 1.766 155 L HN 0.530 nan 8.230 nan 0.000 0.917 156 R N 0.705 121.024 120.500 -0.302 0.000 2.073 156 R HA -0.107 4.233 4.340 0.000 0.000 0.234 156 R C 2.284 178.441 176.300 -0.238 0.000 1.134 156 R CA 1.660 57.618 56.100 -0.236 0.000 0.952 156 R CB -0.317 29.840 30.300 -0.238 0.000 0.850 156 R HN 0.624 nan 8.270 nan 0.000 0.433 157 G N 0.921 109.546 108.800 -0.293 0.000 2.421 157 G HA2 -0.298 3.662 3.960 0.000 0.000 0.216 157 G HA3 -0.298 3.662 3.960 0.000 0.000 0.216 157 G C 1.589 176.414 174.900 -0.125 0.000 1.171 157 G CA 1.055 45.945 45.100 -0.350 0.000 0.775 157 G HN 0.459 nan 8.290 nan 0.000 0.543 158 S N -0.010 115.544 115.700 -0.243 0.000 2.402 158 S HA -0.145 4.326 4.470 0.000 0.000 0.229 158 S C 2.217 176.526 174.600 -0.485 0.000 1.021 158 S CA 1.570 59.458 58.200 -0.521 0.000 0.974 158 S CB -0.383 62.221 63.200 -0.995 0.000 0.800 158 S HN 0.525 nan 8.310 nan 0.000 0.484 159 Q N 1.146 120.732 119.800 -0.357 0.000 2.084 159 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 159 Q C 1.371 177.242 176.000 -0.214 0.000 0.978 159 Q CA 1.893 57.521 55.803 -0.292 0.000 0.844 159 Q CB -0.258 28.354 28.738 -0.210 0.000 0.898 159 Q HN 0.504 nan 8.270 nan 0.000 0.426 160 D N 0.318 120.643 120.400 -0.125 0.000 2.084 160 D HA -0.142 4.498 4.640 0.000 0.000 0.194 160 D C 2.016 178.308 176.300 -0.014 0.000 0.990 160 D CA 1.070 55.066 54.000 -0.007 0.000 0.826 160 D CB -0.220 40.676 40.800 0.159 0.000 0.971 160 D HN 0.287 nan 8.370 nan 0.000 0.453 161 L N 0.575 121.781 121.223 -0.028 0.000 2.017 161 L HA -0.162 4.178 4.340 0.000 0.000 0.208 161 L C 2.556 179.241 176.870 -0.309 0.000 1.073 161 L CA 1.196 56.008 54.840 -0.047 0.000 0.745 161 L CB -0.487 41.598 42.059 0.043 0.000 0.894 161 L HN -0.019 nan 8.230 nan 0.000 0.432 162 A N 0.394 122.774 122.820 -0.733 0.000 1.883 162 A HA -0.210 4.110 4.320 0.000 0.000 0.217 162 A C 2.006 179.460 177.584 -0.217 0.000 1.186 162 A CA 1.987 53.440 52.037 -0.974 0.000 0.624 162 A CB -0.558 17.787 19.000 -1.091 0.000 0.822 162 A HN 0.461 nan 8.150 nan 0.000 0.444 163 N N -0.655 117.955 118.700 -0.149 0.000 2.396 163 N HA -0.110 4.630 4.740 0.000 0.000 0.180 163 N C 1.805 177.346 175.510 0.053 0.000 1.028 163 N CA 1.126 54.161 53.050 -0.024 0.000 0.893 163 N CB -0.337 38.121 38.487 -0.047 0.000 0.967 163 N HN 0.754 nan 8.380 nan 0.000 0.440 164 Q N -0.227 119.617 119.800 0.074 0.000 1.990 164 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 164 Q C 1.394 177.516 176.000 0.202 0.000 0.980 164 Q CA 1.164 57.045 55.803 0.130 0.000 0.832 164 Q CB -0.091 28.748 28.738 0.168 0.000 0.897 164 Q HN 0.239 nan 8.270 nan 0.000 0.427 165 Y N 1.172 121.496 120.300 0.041 0.000 2.193 165 Y HA -0.251 4.300 4.550 0.000 0.000 0.285 165 Y C 2.369 178.368 175.900 0.164 0.000 1.166 165 Y CA 1.610 59.756 58.100 0.077 0.000 1.181 165 Y CB -0.262 38.298 38.460 0.165 0.000 0.976 165 Y HN 0.129 nan 8.280 nan 0.000 0.520 166 K N -0.037 120.598 120.400 0.393 0.000 2.001 166 K HA -0.164 4.156 4.320 0.000 0.000 0.208 166 K C 2.407 179.101 176.600 0.156 0.000 1.048 166 K CA 1.598 58.078 56.287 0.322 0.000 0.932 166 K CB -0.228 32.390 32.500 0.197 0.000 0.715 166 K HN 0.386 nan 8.250 nan 0.000 0.437 167 S N 0.646 116.408 115.700 0.103 0.000 2.382 167 S HA -0.160 4.310 4.470 0.000 0.000 0.228 167 S C 1.600 176.227 174.600 0.045 0.000 1.027 167 S CA 1.303 59.538 58.200 0.057 0.000 0.991 167 S CB -0.336 62.887 63.200 0.039 0.000 0.823 167 S HN 0.373 nan 8.310 nan 0.000 0.469 168 E N 0.989 121.213 120.200 0.039 0.000 2.472 168 E HA 0.158 4.508 4.350 0.000 0.000 0.200 168 E C 1.492 178.095 176.600 0.004 0.000 1.046 168 E CA 0.289 56.683 56.400 -0.010 0.000 0.871 168 E CB -0.476 29.167 29.700 -0.094 0.000 0.806 168 E HN 0.786 nan 8.360 nan 0.000 0.533 169 G N 1.530 110.365 108.800 0.058 0.000 2.205 169 G HA2 -0.280 3.680 3.960 0.000 0.000 0.261 169 G HA3 -0.280 3.680 3.960 0.000 0.000 0.261 169 G C 0.219 175.182 174.900 0.106 0.000 0.980 169 G CA -0.006 45.143 45.100 0.082 0.000 0.632 169 G HN 0.055 nan 8.290 nan 0.000 0.533 170 K N 0.869 121.299 120.400 0.049 0.000 2.578 170 K HA -0.081 4.239 4.320 0.000 0.000 0.279 170 K C 0.429 177.127 176.600 0.163 0.000 0.983 170 K CA 0.473 56.764 56.287 0.006 0.000 1.078 170 K CB 0.055 32.393 32.500 -0.270 0.000 0.852 170 K HN 0.628 nan 8.250 nan 0.000 0.490 171 N N 2.757 121.583 118.700 0.210 0.000 2.767 171 N HA 0.078 4.818 4.740 0.000 0.000 0.238 171 N C -0.980 174.629 175.510 0.165 0.000 1.083 171 N CA -0.400 52.776 53.050 0.210 0.000 0.964 171 N CB 0.530 39.119 38.487 0.170 0.000 1.252 171 N HN 0.086 nan 8.380 nan 0.000 0.512 172 V N 4.369 124.272 119.914 -0.019 0.000 2.372 172 V HA 0.015 4.135 4.120 0.000 0.000 0.261 172 V C 1.492 177.542 176.094 -0.073 0.000 1.055 172 V CA -0.262 61.924 62.300 -0.190 0.000 0.930 172 V CB 0.992 32.353 31.823 -0.771 0.000 1.031 172 V HN 0.495 nan 8.190 nan 0.000 0.479 173 V N 3.756 123.636 119.914 -0.057 0.000 2.515 173 V HA -0.032 4.088 4.120 0.000 0.000 0.250 173 V C 0.929 176.906 176.094 -0.196 0.000 1.058 173 V CA 1.593 63.837 62.300 -0.092 0.000 1.064 173 V CB -0.327 31.422 31.823 -0.123 0.000 0.675 173 V HN 0.995 nan 8.190 nan 0.000 0.461 174 S N -1.540 114.008 115.700 -0.254 0.000 2.558 174 S HA 0.764 5.234 4.470 0.000 0.000 0.277 174 S C -0.997 173.461 174.600 -0.236 0.000 1.143 174 S CA -0.163 57.783 58.200 -0.422 0.000 0.865 174 S CB 1.856 64.501 63.200 -0.924 0.000 1.102 174 S HN 0.776 nan 8.310 nan 0.000 0.454 175 A N 1.637 124.402 122.820 -0.091 0.000 2.375 175 A HA 0.738 5.058 4.320 0.000 0.000 0.291 175 A C -1.113 176.614 177.584 0.239 0.000 1.160 175 A CA -0.574 51.386 52.037 -0.128 0.000 0.747 175 A CB 0.971 19.570 19.000 -0.669 0.000 1.170 175 A HN 1.222 nan 8.150 nan 0.000 0.458 176 L N 1.866 123.213 121.223 0.207 0.000 2.289 176 L HA 0.701 5.041 4.340 0.000 0.000 0.285 176 L C -0.078 176.896 176.870 0.174 0.000 1.049 176 L CA -0.048 54.868 54.840 0.127 0.000 0.804 176 L CB 1.570 43.531 42.059 -0.164 0.000 1.195 176 L HN 0.756 nan 8.230 nan 0.000 0.428 177 Q N 4.401 124.309 119.800 0.180 0.000 2.316 177 Q HA 0.629 4.970 4.340 0.000 0.000 0.264 177 Q C -1.943 174.159 176.000 0.169 0.000 0.987 177 Q CA -0.201 55.754 55.803 0.253 0.000 0.852 177 Q CB 1.543 30.483 28.738 0.336 0.000 1.287 177 Q HN 0.748 nan 8.270 nan 0.000 0.448 178 L N 3.675 125.011 121.223 0.188 0.000 2.345 178 L HA 0.501 4.841 4.340 0.000 0.000 0.274 178 L C -1.031 175.898 176.870 0.099 0.000 0.999 178 L CA -0.624 54.282 54.840 0.110 0.000 0.849 178 L CB 1.667 43.784 42.059 0.097 0.000 1.220 178 L HN 0.632 nan 8.230 nan 0.000 0.422 179 D N 6.733 127.190 120.400 0.096 0.000 2.389 179 D HA 0.487 5.127 4.640 0.000 0.000 0.256 179 D C -0.515 175.857 176.300 0.120 0.000 1.239 179 D CA -0.166 53.903 54.000 0.115 0.000 0.925 179 D CB 0.959 41.888 40.800 0.215 0.000 1.145 179 D HN 0.431 nan 8.370 nan 0.000 0.542 180 M N 1.805 121.384 119.600 -0.035 0.000 4.041 180 M HA -0.171 4.309 4.480 0.000 0.000 0.157 180 M C -0.037 176.019 176.300 -0.408 0.000 1.531 180 M CA 0.577 55.797 55.300 -0.133 0.000 1.095 180 M CB -1.316 31.263 32.600 -0.035 0.000 1.346 180 M HN 0.459 nan 8.290 nan 0.000 0.198 181 T N -3.009 111.273 114.554 -0.454 0.000 3.209 181 T HA 0.300 4.650 4.350 0.000 0.000 0.295 181 T C 0.400 174.859 174.700 -0.402 0.000 0.977 181 T CA 0.089 61.643 62.100 -0.910 0.000 0.922 181 T CB 0.144 68.485 68.868 -0.877 0.000 1.152 181 T HN 0.604 nan 8.240 nan 0.000 0.527 182 N N 0.658 119.312 118.700 -0.077 0.000 2.238 182 N HA 0.252 4.992 4.740 0.000 0.000 0.235 182 N C -1.404 174.235 175.510 0.215 0.000 1.209 182 N CA -0.583 52.549 53.050 0.136 0.000 0.879 182 N CB 0.498 39.027 38.487 0.071 0.000 1.136 182 N HN 0.595 nan 8.380 nan 0.000 0.517 183 Y N 0.729 121.070 120.300 0.068 0.000 2.363 183 Y HA 0.364 4.914 4.550 0.000 0.000 0.325 183 Y C -0.469 175.317 175.900 -0.190 0.000 0.984 183 Y CA -1.037 57.025 58.100 -0.065 0.000 1.248 183 Y CB 0.794 39.216 38.460 -0.063 0.000 1.116 183 Y HN -0.213 nan 8.280 nan 0.000 0.470 184 K N 4.609 124.515 120.400 -0.823 0.000 2.142 184 K HA 0.253 4.573 4.320 0.000 0.000 0.250 184 K C 0.857 177.085 176.600 -0.620 0.000 1.148 184 K CA 0.248 56.025 56.287 -0.850 0.000 1.040 184 K CB -0.120 31.800 32.500 -0.967 0.000 1.569 184 K HN 1.043 nan 8.250 nan 0.000 0.361 185 G N 1.167 109.770 108.800 -0.329 0.000 2.813 185 G HA2 -0.023 3.937 3.960 0.000 0.000 0.209 185 G HA3 -0.023 3.937 3.960 0.000 0.000 0.209 185 G C 0.034 174.912 174.900 -0.037 0.000 1.150 185 G CA -0.002 45.035 45.100 -0.105 0.000 0.785 185 G HN 0.488 nan 8.290 nan 0.000 0.535 186 S N -1.670 114.005 115.700 -0.043 0.000 2.745 186 S HA 0.625 5.095 4.470 0.000 0.000 0.306 186 S C 1.242 175.825 174.600 -0.028 0.000 1.137 186 S CA -0.032 58.166 58.200 -0.002 0.000 0.900 186 S CB 1.639 64.874 63.200 0.057 0.000 1.176 186 S HN 0.177 nan 8.310 nan 0.000 0.520 187 A N 0.021 122.837 122.820 -0.006 0.000 1.929 187 A HA 0.042 4.362 4.320 0.000 0.000 0.216 187 A C 0.797 178.377 177.584 -0.005 0.000 1.176 187 A CA 1.157 53.185 52.037 -0.015 0.000 0.628 187 A CB -0.529 18.468 19.000 -0.005 0.000 0.816 187 A HN 0.720 nan 8.150 nan 0.000 0.444 188 Q N 0.400 120.210 119.800 0.017 0.000 2.394 188 Q HA 0.195 4.535 4.340 0.000 0.000 0.248 188 Q C 0.218 176.248 176.000 0.052 0.000 0.992 188 Q CA 0.331 56.148 55.803 0.023 0.000 0.888 188 Q CB 0.606 29.367 28.738 0.039 0.000 1.257 188 Q HN 0.396 nan 8.270 nan 0.000 0.462 189 D N -0.176 120.249 120.400 0.041 0.000 2.162 189 D HA 0.019 4.659 4.640 0.000 0.000 0.205 189 D C -0.198 176.098 176.300 -0.006 0.000 0.964 189 D CA 0.917 54.965 54.000 0.081 0.000 0.847 189 D CB 0.598 41.390 40.800 -0.015 0.000 0.988 189 D HN 0.176 nan 8.370 nan 0.000 0.480 190 V N 1.228 121.066 119.914 -0.127 0.000 2.709 190 V HA 0.334 4.454 4.120 0.000 0.000 0.308 190 V C -0.343 175.612 176.094 -0.232 0.000 1.062 190 V CA -0.777 61.339 62.300 -0.307 0.000 0.901 190 V CB 2.929 34.338 31.823 -0.690 0.000 1.003 190 V HN -0.249 nan 8.190 nan 0.000 0.425 191 V N 4.597 124.400 119.914 -0.185 0.000 2.443 191 V HA 0.480 4.600 4.120 0.000 0.000 0.293 191 V C -0.750 175.237 176.094 -0.177 0.000 1.021 191 V CA -0.480 61.762 62.300 -0.096 0.000 0.848 191 V CB 1.428 33.341 31.823 0.151 0.000 0.998 191 V HN 0.673 nan 8.190 nan 0.000 0.424 192 F N 4.951 124.803 119.950 -0.162 0.000 2.438 192 F HA 0.418 4.945 4.527 0.000 0.000 0.356 192 F C 0.585 176.389 175.800 0.006 0.000 1.099 192 F CA -0.520 57.395 58.000 -0.141 0.000 1.185 192 F CB 0.697 39.500 39.000 -0.329 0.000 1.115 192 F HN 0.221 nan 8.300 nan 0.000 0.526 193 I N 3.329 123.976 120.570 0.128 0.000 2.416 193 I HA 0.025 4.195 4.170 0.000 0.000 0.288 193 I C 1.387 177.546 176.117 0.070 0.000 1.051 193 I CA 0.128 61.450 61.300 0.036 0.000 1.375 193 I CB 0.892 38.796 38.000 -0.160 0.000 1.407 193 I HN 0.711 nan 8.210 nan 0.000 0.516 194 T N 0.563 115.173 114.554 0.093 0.000 3.060 194 T HA 0.060 4.411 4.350 0.000 0.000 0.249 194 T C 0.326 175.023 174.700 -0.005 0.000 1.079 194 T CA -0.399 61.748 62.100 0.078 0.000 1.013 194 T CB -0.210 68.722 68.868 0.107 0.000 0.975 194 T HN 0.588 nan 8.240 nan 0.000 0.518 195 D N 0.360 120.742 120.400 -0.030 0.000 2.175 195 D HA 0.189 4.829 4.640 0.000 0.000 0.248 195 D C -0.333 175.933 176.300 -0.057 0.000 1.047 195 D CA -1.081 52.849 54.000 -0.118 0.000 0.883 195 D CB 0.444 41.182 40.800 -0.103 0.000 1.180 195 D HN 0.230 nan 8.370 nan 0.000 0.438 196 Y N -1.364 118.719 120.300 -0.363 0.000 4.177 196 Y HA -0.265 4.285 4.550 0.000 0.000 0.227 196 Y C 0.565 176.193 175.900 -0.454 0.000 1.154 196 Y CA 1.165 58.818 58.100 -0.745 0.000 1.887 196 Y CB -2.327 35.939 38.460 -0.323 0.000 1.594 196 Y HN 0.805 nan 8.280 nan 0.000 0.668 197 T N -4.107 110.365 114.554 -0.135 0.000 2.865 197 T HA 0.582 4.932 4.350 0.000 0.000 0.294 197 T C -0.981 173.845 174.700 0.210 0.000 1.119 197 T CA -0.715 61.480 62.100 0.159 0.000 1.007 197 T CB 2.813 71.744 68.868 0.105 0.000 1.225 197 T HN 0.047 nan 8.240 nan 0.000 0.515 198 D N 0.067 120.631 120.400 0.273 0.000 2.232 198 D HA 0.416 5.056 4.640 0.000 0.000 0.242 198 D C 1.530 177.931 176.300 0.169 0.000 1.093 198 D CA -0.152 53.998 54.000 0.250 0.000 0.845 198 D CB 1.535 42.527 40.800 0.321 0.000 1.124 198 D HN 0.586 nan 8.370 nan 0.000 0.467 199 S N 2.905 118.675 115.700 0.116 0.000 2.402 199 S HA -0.195 4.275 4.470 0.000 0.000 0.229 199 S C 1.459 176.108 174.600 0.082 0.000 1.021 199 S CA 0.932 59.174 58.200 0.069 0.000 0.974 199 S CB -0.436 62.785 63.200 0.034 0.000 0.800 199 S HN 0.622 nan 8.310 nan 0.000 0.484 200 N N 0.513 119.285 118.700 0.120 0.000 2.058 200 N HA -0.040 4.701 4.740 0.000 0.000 0.191 200 N C 1.562 177.209 175.510 0.227 0.000 1.037 200 N CA 1.435 54.565 53.050 0.135 0.000 0.848 200 N CB -0.321 38.234 38.487 0.114 0.000 1.021 200 N HN 0.353 nan 8.380 nan 0.000 0.422 201 F N 2.232 122.224 119.950 0.070 0.000 2.134 201 F HA -0.138 4.389 4.527 0.000 0.000 0.299 201 F C 2.231 178.086 175.800 0.091 0.000 1.097 201 F CA 1.322 59.384 58.000 0.103 0.000 1.264 201 F CB -1.051 38.007 39.000 0.097 0.000 1.001 201 F HN -0.056 nan 8.300 nan 0.000 0.479 202 T N 0.738 115.245 114.554 -0.078 0.000 2.708 202 T HA -0.192 4.158 4.350 0.000 0.000 0.266 202 T C 1.894 176.381 174.700 -0.354 0.000 1.037 202 T CA 1.528 63.423 62.100 -0.342 0.000 1.146 202 T CB -0.250 68.515 68.868 -0.171 0.000 0.865 202 T HN 0.243 nan 8.240 nan 0.000 0.435 203 Q N -0.021 119.715 119.800 -0.106 0.000 2.170 203 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 203 Q C 2.012 177.976 176.000 -0.060 0.000 0.976 203 Q CA 1.179 56.934 55.803 -0.080 0.000 0.858 203 Q CB -0.508 28.237 28.738 0.012 0.000 0.907 203 Q HN 0.712 nan 8.270 nan 0.000 0.433 204 Y N 1.176 121.441 120.300 -0.058 0.000 2.181 204 Y HA -0.187 4.363 4.550 0.000 0.000 0.288 204 Y C 1.978 177.852 175.900 -0.044 0.000 1.146 204 Y CA 1.281 59.392 58.100 0.019 0.000 1.164 204 Y CB -0.406 38.158 38.460 0.173 0.000 0.982 204 Y HN 0.007 nan 8.280 nan 0.000 0.515 205 L N -0.092 120.980 121.223 -0.251 0.000 2.131 205 L HA -0.208 4.132 4.340 0.000 0.000 0.210 205 L C 2.563 179.154 176.870 -0.464 0.000 1.092 205 L CA 1.864 56.474 54.840 -0.383 0.000 0.759 205 L CB -1.114 40.724 42.059 -0.368 0.000 0.903 205 L HN 0.429 nan 8.230 nan 0.000 0.435 206 T N -3.637 110.533 114.554 -0.640 0.000 2.915 206 T HA -0.202 4.148 4.350 0.000 0.000 0.269 206 T C 1.733 176.242 174.700 -0.319 0.000 1.071 206 T CA 0.950 62.638 62.100 -0.688 0.000 1.132 206 T CB -0.145 68.322 68.868 -0.670 0.000 0.878 206 T HN 0.369 nan 8.240 nan 0.000 0.479 207 Q N 0.484 120.135 119.800 -0.247 0.000 2.123 207 Q HA 0.200 4.540 4.340 0.000 0.000 0.199 207 Q C 2.402 178.273 176.000 -0.214 0.000 0.966 207 Q CA 0.997 56.699 55.803 -0.168 0.000 0.845 207 Q CB -0.352 28.308 28.738 -0.130 0.000 0.907 207 Q HN 0.491 nan 8.270 nan 0.000 0.439 208 L N -0.111 120.940 121.223 -0.287 0.000 2.046 208 L HA -0.195 4.145 4.340 0.000 0.000 0.208 208 L C 2.419 179.259 176.870 -0.050 0.000 1.077 208 L CA 1.060 55.809 54.840 -0.153 0.000 0.747 208 L CB -0.321 41.669 42.059 -0.116 0.000 0.896 208 L HN 0.363 nan 8.230 nan 0.000 0.432 209 M N -0.631 118.924 119.600 -0.075 0.000 2.132 209 M HA -0.198 4.282 4.480 0.000 0.000 0.263 209 M C 1.773 178.099 176.300 0.043 0.000 1.065 209 M CA 1.496 56.799 55.300 0.004 0.000 1.122 209 M CB -0.409 32.184 32.600 -0.012 0.000 1.365 209 M HN 0.202 nan 8.290 nan 0.000 0.411 210 D N 0.121 120.538 120.400 0.028 0.000 2.117 210 D HA -0.181 4.459 4.640 0.000 0.000 0.197 210 D C 1.836 178.098 176.300 -0.063 0.000 0.987 210 D CA 1.373 55.394 54.000 0.034 0.000 0.829 210 D CB -0.222 40.597 40.800 0.032 0.000 0.961 210 D HN 0.340 nan 8.370 nan 0.000 0.460 211 E N -0.428 119.660 120.200 -0.186 0.000 2.033 211 E HA -0.118 4.232 4.350 0.000 0.000 0.189 211 E C 1.526 177.914 176.600 -0.354 0.000 0.979 211 E CA 1.098 57.274 56.400 -0.373 0.000 0.802 211 E CB -0.227 29.054 29.700 -0.699 0.000 0.763 211 E HN 0.301 nan 8.360 nan 0.000 0.449 212 Y N -0.603 119.685 120.300 -0.021 0.000 2.509 212 Y HA 0.351 4.901 4.550 0.000 0.000 0.270 212 Y C 0.685 176.578 175.900 -0.012 0.000 1.103 212 Y CA 0.245 58.334 58.100 -0.018 0.000 1.278 212 Y CB 0.544 38.989 38.460 -0.025 0.000 1.087 212 Y HN -0.062 nan 8.280 nan 0.000 0.542 213 L N 2.243 123.536 121.223 0.117 0.000 2.839 213 L HA 0.269 4.609 4.340 0.000 0.000 0.259 213 L C -1.660 175.242 176.870 0.053 0.000 1.369 213 L CA -1.043 53.838 54.840 0.068 0.000 0.845 213 L CB 0.986 43.068 42.059 0.038 0.000 1.181 213 L HN -0.101 nan 8.230 nan 0.000 0.529 214 P HA -0.204 nan 4.420 nan 0.000 0.218 214 P C 1.374 178.686 177.300 0.020 0.000 1.148 214 P CA 1.425 64.542 63.100 0.028 0.000 0.822 214 P CB 0.313 32.020 31.700 0.012 0.000 0.784 215 S N -1.447 114.263 115.700 0.017 0.000 2.561 215 S HA 0.051 4.521 4.470 0.000 0.000 0.225 215 S C 1.022 175.623 174.600 0.002 0.000 0.977 215 S CA -0.182 58.022 58.200 0.006 0.000 0.926 215 S CB -0.961 62.243 63.200 0.006 0.000 0.769 215 S HN 0.037 nan 8.310 nan 0.000 0.533 216 L N 2.389 123.619 121.223 0.011 0.000 2.379 216 L HA 0.483 4.823 4.340 0.000 0.000 0.269 216 L C 0.524 177.398 176.870 0.008 0.000 1.084 216 L CA -0.629 54.215 54.840 0.006 0.000 0.802 216 L CB 1.388 43.444 42.059 -0.005 0.000 1.175 216 L HN 0.247 nan 8.230 nan 0.000 0.448 217 T N -1.398 113.144 114.554 -0.021 0.000 2.912 217 T HA 0.694 5.044 4.350 0.000 0.000 0.288 217 T C -0.840 173.838 174.700 -0.037 0.000 1.030 217 T CA -0.635 61.403 62.100 -0.104 0.000 1.020 217 T CB 1.728 70.535 68.868 -0.101 0.000 1.056 217 T HN 0.487 nan 8.240 nan 0.000 0.480 218 Y N -1.123 119.165 120.300 -0.020 0.000 2.588 218 Y HA 0.888 5.438 4.550 0.000 0.000 0.343 218 Y C -0.154 175.724 175.900 -0.036 0.000 1.065 218 Y CA -1.345 56.716 58.100 -0.064 0.000 1.038 218 Y CB 1.129 39.564 38.460 -0.043 0.000 1.297 218 Y HN 1.045 nan 8.280 nan 0.000 0.467 219 G N 0.561 109.428 108.800 0.111 0.000 3.086 219 G HA2 0.741 4.701 3.960 0.000 0.000 0.282 219 G HA3 0.741 4.701 3.960 0.000 0.000 0.282 219 G C -2.238 172.606 174.900 -0.093 0.000 1.343 219 G CA -1.083 44.102 45.100 0.141 0.000 0.895 219 G HN 0.481 nan 8.290 nan 0.000 0.557 220 F N -0.942 119.155 119.950 0.244 0.000 2.613 220 F HA 0.734 5.261 4.527 0.000 0.000 0.314 220 F C -0.387 175.516 175.800 0.172 0.000 1.075 220 F CA -0.639 57.497 58.000 0.226 0.000 0.945 220 F CB 2.957 42.066 39.000 0.182 0.000 1.310 220 F HN 0.428 nan 8.300 nan 0.000 0.467 221 D N -0.940 119.658 120.400 0.329 0.000 2.725 221 D HA 0.448 5.088 4.640 0.000 0.000 0.292 221 D C -1.443 174.925 176.300 0.114 0.000 1.288 221 D CA -0.206 53.925 54.000 0.219 0.000 0.784 221 D CB 2.229 43.181 40.800 0.253 0.000 1.308 221 D HN 0.580 nan 8.370 nan 0.000 0.429 222 T N -2.182 112.384 114.554 0.019 0.000 2.924 222 T HA 0.463 4.813 4.350 0.000 0.000 0.291 222 T C 0.833 175.292 174.700 -0.402 0.000 1.045 222 T CA -0.505 61.526 62.100 -0.114 0.000 1.015 222 T CB 1.208 70.033 68.868 -0.070 0.000 1.103 222 T HN 0.424 nan 8.240 nan 0.000 0.496 223 c N 0.308 118.572 118.600 -0.559 0.000 2.507 223 c HA 0.557 5.127 4.570 0.000 0.000 0.280 223 c C 2.405 176.138 174.090 -0.595 0.000 1.345 223 c CA 0.998 56.641 56.329 -1.143 0.000 1.736 223 c CB -1.224 40.729 42.510 -0.929 0.000 2.060 223 c HN 1.321 nan 8.230 nan 0.000 0.498 224 G N -0.722 107.961 108.800 -0.195 0.000 2.195 224 G HA2 -0.177 3.783 3.960 0.000 0.000 0.224 224 G HA3 -0.177 3.783 3.960 0.000 0.000 0.224 224 G C -0.065 175.005 174.900 0.283 0.000 0.990 224 G CA 0.594 45.738 45.100 0.073 0.000 0.639 224 G HN 0.943 nan 8.290 nan 0.000 0.514 225 Y N -3.926 116.386 120.300 0.019 0.000 2.818 225 Y HA 0.738 5.288 4.550 0.000 0.000 0.341 225 Y C -0.032 175.771 175.900 -0.161 0.000 1.283 225 Y CA -1.473 56.657 58.100 0.049 0.000 1.075 225 Y CB 0.542 38.985 38.460 -0.028 0.000 1.370 225 Y HN 1.051 nan 8.280 nan 0.000 0.448 226 A N 0.846 123.314 122.820 -0.586 0.000 2.899 226 A HA 0.350 4.670 4.320 0.000 0.000 0.287 226 A C 1.012 178.195 177.584 -0.667 0.000 1.715 226 A CA 0.122 51.520 52.037 -1.064 0.000 1.393 226 A CB -1.769 16.630 19.000 -1.002 0.000 1.070 226 A HN 1.257 nan 8.150 nan 0.000 0.587 227 c N 0.090 118.173 118.600 -0.861 0.000 2.500 227 c HA 0.421 4.991 4.570 0.000 0.000 0.273 227 c C 1.124 175.076 174.090 -0.231 0.000 1.428 227 c CA 0.357 56.292 56.329 -0.658 0.000 1.766 227 c CB -1.576 40.451 42.510 -0.805 0.000 1.817 227 c HN 0.679 nan 8.230 nan 0.000 0.543 228 S N -0.788 114.749 115.700 -0.271 0.000 2.727 228 S HA 0.257 4.727 4.470 0.000 0.000 0.278 228 S C -0.302 174.119 174.600 -0.299 0.000 1.186 228 S CA -0.307 57.827 58.200 -0.111 0.000 0.836 228 S CB 0.738 64.067 63.200 0.215 0.000 1.186 228 S HN 0.335 nan 8.310 nan 0.000 0.499 229 D N 1.164 121.509 120.400 -0.093 0.000 2.265 229 D HA -0.144 4.496 4.640 0.000 0.000 0.208 229 D C 1.610 177.860 176.300 -0.084 0.000 0.977 229 D CA 1.320 55.187 54.000 -0.223 0.000 0.871 229 D CB -0.392 40.185 40.800 -0.372 0.000 0.925 229 D HN 0.713 nan 8.370 nan 0.000 0.485 230 H N 0.711 119.845 119.070 0.106 0.000 2.422 230 H HA 0.037 4.593 4.556 0.000 0.000 0.298 230 H C 1.928 177.389 175.328 0.223 0.000 1.098 230 H CA 1.270 57.465 56.048 0.245 0.000 1.315 230 H CB -0.559 29.309 29.762 0.178 0.000 1.382 230 H HN 0.079 nan 8.280 nan 0.000 0.523 231 A N 1.202 123.678 122.820 -0.574 0.000 1.972 231 A HA -0.148 4.172 4.320 0.000 0.000 0.219 231 A C 2.711 180.239 177.584 -0.093 0.000 1.169 231 A CA 1.620 53.459 52.037 -0.330 0.000 0.635 231 A CB -0.687 17.884 19.000 -0.715 0.000 0.810 231 A HN 0.476 nan 8.150 nan 0.000 0.446 232 S N -1.268 114.305 115.700 -0.211 0.000 2.356 232 S HA -0.193 4.277 4.470 0.000 0.000 0.223 232 S C 1.581 176.071 174.600 -0.184 0.000 1.032 232 S CA 1.430 59.464 58.200 -0.277 0.000 1.005 232 S CB -0.481 62.413 63.200 -0.510 0.000 0.867 232 S HN 0.811 nan 8.310 nan 0.000 0.449 233 W N 0.842 122.182 121.300 0.067 0.000 2.388 233 W HA -0.062 4.598 4.660 -0.000 0.000 0.294 233 W C 2.469 179.133 176.519 0.242 0.000 1.212 233 W CA 1.107 58.580 57.345 0.214 0.000 1.271 233 W CB -0.645 28.947 29.460 0.219 0.000 1.126 233 W HN 0.463 nan 8.180 nan 0.000 0.535 234 H N 0.337 119.615 119.070 0.346 0.000 2.293 234 H HA -0.135 4.421 4.556 0.000 0.000 0.300 234 H C 1.647 177.067 175.328 0.153 0.000 1.082 234 H CA 2.380 58.585 56.048 0.262 0.000 1.308 234 H CB -0.576 29.352 29.762 0.277 0.000 1.375 234 H HN 0.109 nan 8.280 nan 0.000 0.495 235 N N -0.504 118.295 118.700 0.165 0.000 2.443 235 N HA -0.072 4.668 4.740 0.000 0.000 0.184 235 N C 1.134 176.612 175.510 -0.053 0.000 1.037 235 N CA 0.385 53.465 53.050 0.051 0.000 0.896 235 N CB 0.032 38.561 38.487 0.069 0.000 0.959 235 N HN 0.428 nan 8.380 nan 0.000 0.442 236 A N 0.118 122.905 122.820 -0.053 0.000 2.307 236 A HA 0.401 4.721 4.320 0.000 0.000 0.218 236 A C 1.446 178.807 177.584 -0.373 0.000 1.228 236 A CA 0.463 52.416 52.037 -0.141 0.000 0.857 236 A CB -0.049 18.937 19.000 -0.022 0.000 0.897 236 A HN 0.268 nan 8.150 nan 0.000 0.495 237 G N -1.997 106.630 108.800 -0.289 0.000 2.141 237 G HA2 -0.259 3.701 3.960 0.000 0.000 0.242 237 G HA3 -0.259 3.701 3.960 0.000 0.000 0.242 237 G C -0.200 174.538 174.900 -0.270 0.000 0.982 237 G CA 0.335 45.239 45.100 -0.327 0.000 0.662 237 G HN 0.412 nan 8.290 nan 0.000 0.527 238 Y N -0.130 120.242 120.300 0.120 0.000 2.457 238 Y HA 0.578 5.128 4.550 -0.000 0.000 0.333 238 Y C -2.046 173.961 175.900 0.178 0.000 1.119 238 Y CA -2.966 55.234 58.100 0.165 0.000 1.143 238 Y CB 1.165 39.793 38.460 0.280 0.000 1.230 238 Y HN -0.083 nan 8.280 nan 0.000 0.469 239 P HA 0.284 nan 4.420 nan 0.000 0.271 239 P C -1.073 176.472 177.300 0.409 0.000 1.233 239 P CA 0.207 63.481 63.100 0.290 0.000 0.764 239 P CB 0.517 32.291 31.700 0.124 0.000 0.825 240 A N 2.947 126.093 122.820 0.544 0.000 2.469 240 A HA 0.928 5.248 4.320 0.000 0.000 0.299 240 A C -1.134 176.706 177.584 0.427 0.000 1.098 240 A CA -0.568 51.808 52.037 0.565 0.000 0.737 240 A CB 1.847 21.171 19.000 0.539 0.000 1.312 240 A HN 0.508 nan 8.150 nan 0.000 0.414 241 A N 0.501 123.442 122.820 0.201 0.000 2.606 241 A HA 0.805 5.125 4.320 0.000 0.000 0.293 241 A C -1.029 176.490 177.584 -0.107 0.000 1.082 241 A CA -0.156 51.792 52.037 -0.149 0.000 0.685 241 A CB 1.366 19.870 19.000 -0.827 0.000 1.284 241 A HN 1.696 nan 8.150 nan 0.000 0.408 242 M N 2.094 121.616 119.600 -0.130 0.000 2.150 242 M HA 0.425 4.905 4.480 0.000 0.000 0.255 242 M C -3.008 173.272 176.300 -0.033 0.000 0.963 242 M CA -1.540 53.679 55.300 -0.134 0.000 1.033 242 M CB 2.154 34.494 32.600 -0.434 0.000 2.007 242 M HN 0.300 nan 8.290 nan 0.000 0.462 243 P HA 0.235 nan 4.420 nan 0.000 0.281 243 P C -1.506 175.896 177.300 0.170 0.000 1.286 243 P CA -0.005 62.998 63.100 -0.161 0.000 0.772 243 P CB 0.205 31.820 31.700 -0.142 0.000 0.862 244 F N 3.133 123.061 119.950 -0.037 0.000 2.440 244 F HA 0.223 4.750 4.527 0.000 0.000 0.328 244 F C 1.744 177.612 175.800 0.114 0.000 1.070 244 F CA -1.165 56.829 58.000 -0.010 0.000 1.011 244 F CB 1.423 40.434 39.000 0.020 0.000 1.226 244 F HN 0.417 nan 8.300 nan 0.000 0.491 245 E N 0.873 120.585 120.200 -0.812 0.000 2.265 245 E HA 0.035 4.385 4.350 0.000 0.000 0.196 245 E C -0.076 176.512 176.600 -0.021 0.000 0.996 245 E CA 1.058 57.237 56.400 -0.367 0.000 0.832 245 E CB -0.080 29.335 29.700 -0.475 0.000 0.756 245 E HN 0.491 nan 8.360 nan 0.000 0.491 246 S N -1.361 114.240 115.700 -0.164 0.000 2.669 246 S HA 0.287 4.757 4.470 0.000 0.000 0.266 246 S C -1.008 173.767 174.600 0.291 0.000 1.149 246 S CA -1.310 56.951 58.200 0.101 0.000 0.842 246 S CB 0.901 64.157 63.200 0.094 0.000 1.160 246 S HN -0.051 nan 8.310 nan 0.000 0.487 247 K N 0.259 120.817 120.400 0.264 0.000 2.440 247 K HA 0.240 4.560 4.320 0.000 0.000 0.270 247 K C 0.655 177.534 176.600 0.464 0.000 0.980 247 K CA -0.186 56.298 56.287 0.329 0.000 0.953 247 K CB -0.174 32.459 32.500 0.221 0.000 0.925 247 K HN 0.651 nan 8.250 nan 0.000 0.497 248 F N 2.192 122.353 119.950 0.353 0.000 2.269 248 F HA -0.169 4.358 4.527 0.000 0.000 0.301 248 F C 1.492 177.459 175.800 0.279 0.000 1.082 248 F CA 1.472 59.728 58.000 0.428 0.000 1.360 248 F CB 0.153 39.315 39.000 0.270 0.000 1.041 248 F HN 0.523 nan 8.300 nan 0.000 0.512 249 N N -0.170 118.646 118.700 0.193 0.000 2.467 249 N HA -0.065 4.675 4.740 0.000 0.000 0.184 249 N C 0.348 175.793 175.510 -0.109 0.000 1.106 249 N CA 0.795 53.840 53.050 -0.009 0.000 0.892 249 N CB -0.103 38.423 38.487 0.066 0.000 0.969 249 N HN 0.353 nan 8.380 nan 0.000 0.454 250 D N -0.261 120.133 120.400 -0.010 0.000 2.431 250 D HA 0.009 4.649 4.640 0.000 0.000 0.213 250 D C 0.460 176.808 176.300 0.080 0.000 1.130 250 D CA -0.255 53.756 54.000 0.018 0.000 0.834 250 D CB -0.032 40.821 40.800 0.089 0.000 0.985 250 D HN 0.324 nan 8.370 nan 0.000 0.504 251 Y N 0.638 120.953 120.300 0.024 0.000 2.296 251 Y HA 0.146 4.696 4.550 0.000 0.000 0.343 251 Y C 0.601 176.341 175.900 -0.267 0.000 1.292 251 Y CA -1.380 56.699 58.100 -0.035 0.000 1.490 251 Y CB -0.290 38.171 38.460 0.001 0.000 1.359 251 Y HN -0.260 nan 8.280 nan 0.000 0.599 252 N N 3.452 121.984 118.700 -0.280 0.000 2.160 252 N HA -0.078 4.662 4.740 0.000 0.000 0.283 252 N C -1.688 173.598 175.510 -0.374 0.000 1.363 252 N CA -0.626 51.865 53.050 -0.932 0.000 0.848 252 N CB 0.516 38.660 38.487 -0.572 0.000 1.127 252 N HN 0.567 nan 8.380 nan 0.000 0.493 253 P HA -0.075 nan 4.420 nan 0.000 0.237 253 P C 0.060 177.280 177.300 -0.133 0.000 1.178 253 P CA 0.911 63.880 63.100 -0.218 0.000 0.766 253 P CB 0.300 31.895 31.700 -0.175 0.000 0.876 254 R N 0.170 120.580 120.500 -0.150 0.000 2.432 254 R HA 0.248 4.588 4.340 0.000 0.000 0.260 254 R C 1.189 177.470 176.300 -0.030 0.000 0.935 254 R CA -0.379 55.679 56.100 -0.070 0.000 1.080 254 R CB -0.164 30.100 30.300 -0.060 0.000 1.155 254 R HN 0.303 nan 8.270 nan 0.000 0.531 255 I N -1.351 119.192 120.570 -0.045 0.000 2.754 255 I HA -0.002 4.168 4.170 0.000 0.000 0.285 255 I C -0.006 176.160 176.117 0.081 0.000 1.166 255 I CA 0.249 61.541 61.300 -0.015 0.000 1.417 255 I CB 0.110 38.035 38.000 -0.125 0.000 1.382 255 I HN 0.435 nan 8.210 nan 0.000 0.588 256 H N 0.547 119.636 119.070 0.031 0.000 2.936 256 H HA -0.156 4.400 4.556 0.000 0.000 0.276 256 H C -0.150 175.187 175.328 0.016 0.000 1.216 256 H CA 0.524 56.590 56.048 0.030 0.000 1.132 256 H CB -1.565 28.224 29.762 0.046 0.000 1.303 256 H HN 1.013 nan 8.280 nan 0.000 0.370 257 T N -3.850 110.774 114.554 0.118 0.000 2.865 257 T HA 0.324 4.674 4.350 0.000 0.000 0.294 257 T C 1.373 176.093 174.700 0.034 0.000 1.119 257 T CA -0.240 61.896 62.100 0.060 0.000 1.007 257 T CB 1.951 70.846 68.868 0.044 0.000 1.225 257 T HN 0.149 nan 8.240 nan 0.000 0.515 258 T N -1.136 113.428 114.554 0.017 0.000 3.155 258 T HA -0.031 4.319 4.350 0.000 0.000 0.264 258 T C 1.068 175.775 174.700 0.011 0.000 1.160 258 T CA 0.589 62.694 62.100 0.007 0.000 1.075 258 T CB -0.318 68.550 68.868 0.000 0.000 0.921 258 T HN 0.526 nan 8.240 nan 0.000 0.533 259 Q N 1.064 120.872 119.800 0.014 0.000 2.247 259 Q HA 0.178 4.518 4.340 0.000 0.000 0.204 259 Q C 0.123 176.129 176.000 0.010 0.000 0.872 259 Q CA 0.069 55.878 55.803 0.010 0.000 0.951 259 Q CB 0.118 28.859 28.738 0.005 0.000 1.099 259 Q HN 0.551 nan 8.270 nan 0.000 0.501 260 D N 2.280 122.691 120.400 0.018 0.000 2.551 260 D HA 0.016 4.656 4.640 0.000 0.000 0.223 260 D C -0.308 176.005 176.300 0.022 0.000 1.144 260 D CA 0.131 54.142 54.000 0.018 0.000 1.025 260 D CB 0.032 40.855 40.800 0.040 0.000 1.085 260 D HN 0.076 nan 8.370 nan 0.000 0.506 261 T N -0.962 113.603 114.554 0.019 0.000 2.949 261 T HA 0.234 4.584 4.350 0.000 0.000 0.287 261 T C 1.166 175.882 174.700 0.028 0.000 1.034 261 T CA -0.950 61.162 62.100 0.019 0.000 1.018 261 T CB 1.345 70.222 68.868 0.014 0.000 1.135 261 T HN 0.044 nan 8.240 nan 0.000 0.532 262 L N 1.501 122.739 121.223 0.024 0.000 2.083 262 L HA 0.123 4.463 4.340 0.000 0.000 0.209 262 L C 2.734 179.626 176.870 0.037 0.000 1.083 262 L CA 2.436 57.295 54.840 0.031 0.000 0.752 262 L CB -1.539 40.534 42.059 0.023 0.000 0.899 262 L HN 0.936 nan 8.230 nan 0.000 0.433 263 A N -0.496 122.341 122.820 0.028 0.000 1.940 263 A HA -0.220 4.100 4.320 0.000 0.000 0.219 263 A C 1.958 179.567 177.584 0.043 0.000 1.176 263 A CA 1.949 54.003 52.037 0.028 0.000 0.631 263 A CB -0.723 18.289 19.000 0.019 0.000 0.814 263 A HN 0.634 nan 8.150 nan 0.000 0.446 264 N N -0.302 118.429 118.700 0.052 0.000 2.461 264 N HA 0.073 4.813 4.740 0.000 0.000 0.188 264 N C 0.684 176.285 175.510 0.152 0.000 1.134 264 N CA 0.579 53.677 53.050 0.080 0.000 0.878 264 N CB 0.204 38.721 38.487 0.050 0.000 0.972 264 N HN 0.441 nan 8.380 nan 0.000 0.456 265 S N -0.098 115.679 115.700 0.128 0.000 3.884 265 S HA 0.126 4.596 4.470 0.000 0.000 0.212 265 S C -0.189 174.468 174.600 0.095 0.000 1.037 265 S CA -0.358 57.947 58.200 0.174 0.000 1.611 265 S CB 0.501 63.771 63.200 0.116 0.000 0.898 265 S HN 0.092 nan 8.310 nan 0.000 0.672 266 D N 1.462 121.902 120.400 0.068 0.000 2.464 266 D HA 0.428 5.068 4.640 0.000 0.000 0.243 266 D C -2.258 174.068 176.300 0.043 0.000 1.104 266 D CA -2.296 51.725 54.000 0.035 0.000 0.883 266 D CB 1.290 42.117 40.800 0.044 0.000 1.050 266 D HN -0.104 nan 8.370 nan 0.000 0.524 267 P HA -0.099 nan 4.420 nan 0.000 0.223 267 P C 1.161 178.479 177.300 0.029 0.000 1.144 267 P CA 1.187 64.304 63.100 0.029 0.000 0.783 267 P CB 0.209 31.921 31.700 0.021 0.000 0.771 268 T N -5.871 108.700 114.554 0.029 0.000 3.065 268 T HA 0.250 4.600 4.350 0.000 0.000 0.252 268 T C 1.648 176.373 174.700 0.043 0.000 1.099 268 T CA 0.557 62.675 62.100 0.030 0.000 1.063 268 T CB -0.970 67.912 68.868 0.023 0.000 0.948 268 T HN 0.189 nan 8.240 nan 0.000 0.506 269 G N 0.901 109.734 108.800 0.055 0.000 2.166 269 G HA2 -0.331 3.629 3.960 0.000 0.000 0.260 269 G HA3 -0.331 3.629 3.960 0.000 0.000 0.260 269 G C 1.079 176.031 174.900 0.086 0.000 0.986 269 G CA 0.688 45.831 45.100 0.071 0.000 0.683 269 G HN 0.573 nan 8.290 nan 0.000 0.527 270 S N -0.712 115.038 115.700 0.084 0.000 2.382 270 S HA -0.107 4.363 4.470 0.000 0.000 0.228 270 S C 1.826 176.513 174.600 0.146 0.000 1.027 270 S CA 1.704 59.957 58.200 0.089 0.000 0.991 270 S CB -0.258 62.981 63.200 0.065 0.000 0.823 270 S HN 0.756 nan 8.310 nan 0.000 0.469 271 H N 1.622 120.725 119.070 0.056 0.000 2.333 271 H HA 0.187 4.743 4.556 0.000 0.000 0.302 271 H C 2.131 177.595 175.328 0.228 0.000 1.075 271 H CA 1.438 57.553 56.048 0.111 0.000 1.348 271 H CB -0.628 29.181 29.762 0.079 0.000 1.393 271 H HN 0.300 nan 8.280 nan 0.000 0.509 272 A N 0.816 123.744 122.820 0.180 0.000 1.978 272 A HA -0.199 4.121 4.320 0.000 0.000 0.220 272 A C 2.300 179.978 177.584 0.156 0.000 1.170 272 A CA 1.787 53.905 52.037 0.135 0.000 0.636 272 A CB -0.601 18.445 19.000 0.077 0.000 0.810 272 A HN 0.503 nan 8.150 nan 0.000 0.448 273 K N 0.140 120.604 120.400 0.108 0.000 2.103 273 K HA -0.213 4.107 4.320 0.000 0.000 0.207 273 K C 1.891 178.516 176.600 0.042 0.000 1.048 273 K CA 1.795 58.125 56.287 0.071 0.000 0.930 273 K CB -0.166 32.366 32.500 0.053 0.000 0.716 273 K HN 0.530 nan 8.250 nan 0.000 0.444 274 K N -0.257 120.143 120.400 -0.000 0.000 2.002 274 K HA -0.143 4.177 4.320 0.000 0.000 0.209 274 K C 2.000 178.470 176.600 -0.217 0.000 1.048 274 K CA 1.905 58.098 56.287 -0.157 0.000 0.930 274 K CB -0.295 32.004 32.500 -0.336 0.000 0.714 274 K HN 0.093 nan 8.250 nan 0.000 0.438 275 F N 1.377 121.244 119.950 -0.139 0.000 2.234 275 F HA -0.144 4.383 4.527 0.000 0.000 0.299 275 F C 2.570 178.347 175.800 -0.038 0.000 1.087 275 F CA 1.092 59.025 58.000 -0.113 0.000 1.340 275 F CB -0.906 38.009 39.000 -0.142 0.000 1.031 275 F HN -0.003 nan 8.300 nan 0.000 0.500 276 T N -0.661 113.987 114.554 0.158 0.000 2.777 276 T HA -0.200 4.150 4.350 0.000 0.000 0.266 276 T C 1.910 176.653 174.700 0.072 0.000 1.040 276 T CA 1.364 63.530 62.100 0.111 0.000 1.141 276 T CB -0.291 68.630 68.868 0.088 0.000 0.868 276 T HN 0.326 nan 8.240 nan 0.000 0.444 277 Q N 0.027 119.849 119.800 0.036 0.000 2.167 277 Q HA 0.009 4.349 4.340 0.000 0.000 0.202 277 Q C 2.313 178.323 176.000 0.017 0.000 0.970 277 Q CA 0.812 56.623 55.803 0.015 0.000 0.855 277 Q CB -0.258 28.480 28.738 -0.001 0.000 0.911 277 Q HN 0.323 nan 8.270 nan 0.000 0.438 278 L N 0.202 121.429 121.223 0.006 0.000 2.056 278 L HA -0.015 4.325 4.340 0.000 0.000 0.207 278 L C 2.048 178.983 176.870 0.107 0.000 1.078 278 L CA 2.203 57.057 54.840 0.024 0.000 0.749 278 L CB -0.941 41.086 42.059 -0.053 0.000 0.901 278 L HN 0.132 nan 8.230 nan 0.000 0.433 279 G N -0.483 108.395 108.800 0.130 0.000 2.432 279 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 279 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 279 G C 1.549 176.596 174.900 0.246 0.000 1.135 279 G CA 0.913 46.151 45.100 0.229 0.000 0.767 279 G HN 0.407 nan 8.290 nan 0.000 0.550 280 L N 1.299 122.598 121.223 0.127 0.000 2.056 280 L HA 0.255 4.595 4.340 0.000 0.000 0.207 280 L C 3.025 179.897 176.870 0.004 0.000 1.078 280 L CA 2.030 56.904 54.840 0.058 0.000 0.749 280 L CB -0.793 41.278 42.059 0.021 0.000 0.901 280 L HN 0.210 nan 8.230 nan 0.000 0.433 281 A N -1.179 121.635 122.820 -0.011 0.000 1.902 281 A HA -0.295 4.025 4.320 0.000 0.000 0.217 281 A C 2.310 179.931 177.584 0.061 0.000 1.181 281 A CA 1.882 53.857 52.037 -0.103 0.000 0.623 281 A CB -1.245 17.693 19.000 -0.104 0.000 0.818 281 A HN 0.665 nan 8.150 nan 0.000 0.443 282 Y N 0.772 121.103 120.300 0.051 0.000 2.097 282 Y HA -0.113 4.437 4.550 0.000 0.000 0.282 282 Y C 2.595 178.569 175.900 0.123 0.000 1.152 282 Y CA 1.395 59.587 58.100 0.152 0.000 1.136 282 Y CB -0.817 37.763 38.460 0.200 0.000 0.975 282 Y HN 0.291 nan 8.280 nan 0.000 0.498 283 A N 0.807 123.564 122.820 -0.104 0.000 1.883 283 A HA -0.186 4.134 4.320 0.000 0.000 0.217 283 A C 2.366 179.870 177.584 -0.133 0.000 1.186 283 A CA 2.225 54.126 52.037 -0.225 0.000 0.624 283 A CB -1.202 17.775 19.000 -0.039 0.000 0.822 283 A HN 0.614 nan 8.150 nan 0.000 0.444 284 I N -0.831 119.646 120.570 -0.156 0.000 2.133 284 I HA -0.189 3.981 4.170 0.000 0.000 0.238 284 I C 2.614 178.735 176.117 0.006 0.000 1.074 284 I CA 1.284 62.502 61.300 -0.137 0.000 1.342 284 I CB -0.503 37.331 38.000 -0.277 0.000 1.053 284 I HN 0.289 nan 8.210 nan 0.000 0.404 285 E N 0.599 120.804 120.200 0.009 0.000 2.038 285 E HA -0.210 4.140 4.350 0.000 0.000 0.195 285 E C 2.233 178.876 176.600 0.073 0.000 1.000 285 E CA 1.415 57.872 56.400 0.095 0.000 0.803 285 E CB -0.255 29.585 29.700 0.233 0.000 0.750 285 E HN 0.369 nan 8.360 nan 0.000 0.448 286 M N -0.336 119.272 119.600 0.013 0.000 2.229 286 M HA -0.030 4.450 4.480 0.000 0.000 0.264 286 M C 2.247 178.477 176.300 -0.117 0.000 1.063 286 M CA 1.177 56.417 55.300 -0.099 0.000 1.114 286 M CB -1.200 31.231 32.600 -0.282 0.000 1.387 286 M HN 0.104 nan 8.290 nan 0.000 0.420 287 G N -1.196 107.566 108.800 -0.062 0.000 2.572 287 G HA2 -0.070 3.890 3.960 0.000 0.000 0.216 287 G HA3 -0.070 3.890 3.960 0.000 0.000 0.216 287 G C 1.526 176.425 174.900 -0.002 0.000 1.133 287 G CA 0.552 45.653 45.100 0.001 0.000 0.791 287 G HN 0.479 nan 8.290 nan 0.000 0.538 288 S N -0.110 115.610 115.700 0.034 0.000 2.535 288 S HA 0.554 5.024 4.470 0.000 0.000 0.214 288 S C 1.017 175.600 174.600 -0.028 0.000 0.980 288 S CA 0.143 58.345 58.200 0.003 0.000 0.907 288 S CB 0.476 63.698 63.200 0.037 0.000 0.790 288 S HN 0.577 nan 8.310 nan 0.000 0.510 289 A N 1.682 124.480 122.820 -0.038 0.000 2.281 289 A HA 0.811 5.131 4.320 0.000 0.000 0.329 289 A C 0.453 177.993 177.584 -0.073 0.000 1.122 289 A CA -0.432 51.577 52.037 -0.046 0.000 0.850 289 A CB 0.908 19.884 19.000 -0.039 0.000 1.207 289 A HN 0.319 nan 8.150 nan 0.000 0.495 290 T N -2.657 111.857 114.554 -0.067 0.000 2.612 290 T HA 0.802 5.152 4.350 0.000 0.000 0.296 290 T C 0.480 175.144 174.700 -0.059 0.000 1.148 290 T CA 0.189 62.244 62.100 -0.074 0.000 1.077 290 T CB 0.500 69.323 68.868 -0.075 0.000 1.591 290 T HN 2.650 nan 8.240 nan 0.000 0.479 291 G N 0.000 108.768 108.800 -0.053 0.000 5.446 291 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 291 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 291 G CA 0.000 45.076 45.100 -0.040 0.000 0.502 291 G HN 0.000 nan 8.290 nan 0.000 0.925