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 3f8u_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPAVIEcWFV EXXXXXXXXK RPGALLLXXX XXXPPPRPDL DPELYLSVHD DATA SEQUENCE PAGALQAAFR RYPRGAPAPH cEMSRFVPLP ASAKWASGLT PAQNCPRALD DATA SEQUENCE GAWLMVSISS PVLSLSSLLR PQPEPQQEPV LITMATVVLT VLTHTPAPRV DATA SEQUENCE RLGQDALLDL SFAYMPPTSE XXXXXXPGPP PFGLEWRRQH LGKGHLLLAA DATA SEQUENCE TPGLNGQMPA AQEGAVAFAA WDDDEPWGPW TGNGTFWLPR VQPFQEGTYL DATA SEQUENCE ATIHLPYLQG QVTLELAVYK PPKVSLMPAT LARAAPGEAP PELLcLVSHF DATA SEQUENCE YPSGGLEVEW ELRGGPGGRS QKAEGQRWLS ALRHHSDGSV SLSGHLQPPP DATA SEQUENCE VTTEQHGARY AcRIHHPSLP ASGRSAEVTL E 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.977 174.900 0.128 0.000 0.946 1 G CA 0.000 45.217 45.100 0.194 0.000 0.502 2 P HA 0.400 nan 4.420 nan 0.000 0.265 2 P C 0.659 177.936 177.300 -0.038 0.000 1.187 2 P CA 0.615 63.709 63.100 -0.009 0.000 0.766 2 P CB 1.256 32.877 31.700 -0.132 0.000 0.820 3 A N 2.463 125.259 122.820 -0.041 0.000 1.956 3 A HA 0.244 4.564 4.320 -0.001 0.000 0.212 3 A C 0.776 178.322 177.584 -0.063 0.000 1.188 3 A CA 1.239 53.256 52.037 -0.033 0.000 0.675 3 A CB -0.292 18.701 19.000 -0.012 0.000 0.845 3 A HN 0.483 nan 8.150 nan 0.000 0.455 4 V N -3.070 116.792 119.914 -0.087 0.000 3.040 4 V HA 0.778 4.898 4.120 -0.001 0.000 0.312 4 V C -1.081 174.908 176.094 -0.175 0.000 1.115 4 V CA -1.083 61.158 62.300 -0.097 0.000 0.998 4 V CB 1.820 33.617 31.823 -0.043 0.000 1.042 4 V HN 0.161 nan 8.190 nan 0.000 0.433 5 I N 1.400 121.855 120.570 -0.192 0.000 2.468 5 I HA 0.453 4.623 4.170 -0.001 0.000 0.284 5 I C -0.532 175.474 176.117 -0.186 0.000 1.038 5 I CA -0.486 60.668 61.300 -0.243 0.000 1.083 5 I CB 1.815 39.591 38.000 -0.373 0.000 1.223 5 I HN 0.694 nan 8.210 nan 0.000 0.443 6 E N 4.124 124.209 120.200 -0.192 0.000 2.415 6 E HA 0.166 4.515 4.350 -0.001 0.000 0.263 6 E C -1.001 175.450 176.600 -0.248 0.000 0.995 6 E CA 0.375 56.632 56.400 -0.239 0.000 0.915 6 E CB 0.881 30.424 29.700 -0.262 0.000 0.951 6 E HN 0.535 nan 8.360 nan 0.000 0.449 7 c N 4.497 122.934 118.600 -0.273 0.000 2.994 7 c HA 0.632 5.202 4.570 -0.001 0.000 0.304 7 c C -1.429 172.539 174.090 -0.203 0.000 1.273 7 c CA -0.727 55.498 56.329 -0.173 0.000 1.537 7 c CB 0.605 43.099 42.510 -0.026 0.000 2.001 7 c HN 0.870 nan 8.230 nan 0.000 0.471 8 W N 2.788 124.136 121.300 0.080 0.000 2.475 8 W HA 0.522 5.182 4.660 -0.001 0.000 0.317 8 W C -0.494 176.100 176.519 0.125 0.000 1.046 8 W CA -0.704 56.695 57.345 0.090 0.000 1.215 8 W CB 1.201 30.692 29.460 0.051 0.000 1.335 8 W HN 0.594 nan 8.180 nan 0.000 0.471 9 F N 5.961 126.100 119.950 0.315 0.000 2.410 9 F HA 0.594 5.120 4.527 -0.000 0.000 0.349 9 F C -0.105 175.792 175.800 0.162 0.000 1.117 9 F CA -0.895 57.220 58.000 0.192 0.000 1.104 9 F CB 0.417 39.504 39.000 0.144 0.000 1.122 9 F HN 0.118 nan 8.300 nan 0.000 0.483 10 V N 2.721 122.234 119.914 -0.668 0.000 3.113 10 V HA 0.756 4.876 4.120 -0.001 0.000 0.316 10 V C -0.894 174.805 176.094 -0.657 0.000 1.125 10 V CA -0.664 61.350 62.300 -0.476 0.000 1.026 10 V CB 1.886 33.575 31.823 -0.223 0.000 1.080 10 V HN 0.868 nan 8.190 nan 0.000 0.444 21 R N 1.153 121.897 120.500 0.407 0.000 2.621 21 R HA 0.482 4.822 4.340 -0.001 0.000 0.292 21 R C -2.801 173.806 176.300 0.513 0.000 0.969 21 R CA -2.059 54.287 56.100 0.411 0.000 0.887 21 R CB 1.928 32.440 30.300 0.353 0.000 1.180 21 R HN 0.423 nan 8.270 nan 0.000 0.450 22 P HA 0.244 nan 4.420 nan 0.000 0.280 22 P C -0.430 176.863 177.300 -0.011 0.000 1.244 22 P CA -0.083 63.032 63.100 0.025 0.000 0.784 22 P CB 1.589 33.238 31.700 -0.085 0.000 0.913 23 G N 0.796 109.544 108.800 -0.088 0.000 2.866 23 G HA2 0.759 4.718 3.960 -0.001 0.000 0.289 23 G HA3 0.759 4.718 3.960 -0.001 0.000 0.289 23 G C -1.917 172.918 174.900 -0.108 0.000 1.396 23 G CA -0.727 44.349 45.100 -0.041 0.000 0.848 23 G HN 0.648 nan 8.290 nan 0.000 0.515 24 A N -0.841 121.960 122.820 -0.032 0.000 2.594 24 A HA 0.685 5.005 4.320 -0.001 0.000 0.296 24 A C -1.624 176.010 177.584 0.084 0.000 1.061 24 A CA -0.513 51.502 52.037 -0.038 0.000 0.689 24 A CB 1.021 19.936 19.000 -0.141 0.000 1.280 24 A HN 0.794 nan 8.150 nan 0.000 0.406 25 L N 1.741 122.973 121.223 0.015 0.000 2.313 25 L HA 0.557 4.896 4.340 -0.001 0.000 0.283 25 L C -0.885 175.988 176.870 0.004 0.000 1.013 25 L CA -0.805 54.041 54.840 0.009 0.000 0.816 25 L CB 1.656 43.679 42.059 -0.060 0.000 1.236 25 L HN 0.668 nan 8.230 nan 0.000 0.419 26 L N 5.100 126.337 121.223 0.025 0.000 2.262 26 L HA 0.470 4.809 4.340 -0.001 0.000 0.288 26 L C -0.279 176.572 176.870 -0.031 0.000 1.035 26 L CA 0.108 54.954 54.840 0.010 0.000 0.820 26 L CB 0.636 42.691 42.059 -0.008 0.000 1.204 26 L HN 0.437 nan 8.230 nan 0.000 0.424 35 P HA 0.107 nan 4.420 nan 0.000 0.262 35 P C -2.106 175.288 177.300 0.157 0.000 1.199 35 P CA -0.409 62.749 63.100 0.098 0.000 0.763 35 P CB -0.027 31.718 31.700 0.076 0.000 0.790 36 P HA 0.089 nan 4.420 nan 0.000 0.269 36 P C -0.021 177.293 177.300 0.023 0.000 1.217 36 P CA 0.104 63.258 63.100 0.091 0.000 0.783 36 P CB 0.791 32.514 31.700 0.038 0.000 0.898 37 R N 2.211 122.707 120.500 -0.007 0.000 2.837 37 R HA 0.185 4.524 4.340 -0.001 0.000 0.245 37 R C -1.895 174.346 176.300 -0.099 0.000 1.712 37 R CA -1.296 54.705 56.100 -0.165 0.000 1.539 37 R CB 1.090 31.061 30.300 -0.549 0.000 1.490 37 R HN 0.418 nan 8.270 nan 0.000 0.667 38 P HA -0.152 nan 4.420 nan 0.000 0.225 38 P C 0.556 177.829 177.300 -0.046 0.000 1.148 38 P CA 1.106 64.186 63.100 -0.033 0.000 0.779 38 P CB 0.322 32.009 31.700 -0.022 0.000 0.780 39 D N -0.679 119.676 120.400 -0.075 0.000 2.347 39 D HA -0.032 4.607 4.640 -0.001 0.000 0.215 39 D C 0.937 177.190 176.300 -0.080 0.000 0.976 39 D CA 0.346 54.303 54.000 -0.071 0.000 0.884 39 D CB -0.264 40.485 40.800 -0.085 0.000 0.915 39 D HN 0.243 nan 8.370 nan 0.000 0.526 40 L N 0.008 121.166 121.223 -0.109 0.000 2.335 40 L HA 0.226 4.566 4.340 -0.001 0.000 0.268 40 L C 1.394 178.244 176.870 -0.034 0.000 1.016 40 L CA -0.943 53.839 54.840 -0.096 0.000 0.805 40 L CB 1.006 42.949 42.059 -0.193 0.000 1.311 40 L HN -0.278 nan 8.230 nan 0.000 0.456 41 D N 0.981 121.372 120.400 -0.015 0.000 2.137 41 D HA -0.154 4.486 4.640 -0.001 0.000 0.189 41 D C -1.010 175.295 176.300 0.008 0.000 0.998 41 D CA 1.717 55.713 54.000 -0.006 0.000 0.839 41 D CB -0.458 40.324 40.800 -0.029 0.000 0.962 41 D HN 0.457 nan 8.370 nan 0.000 0.446 42 P HA 0.154 nan 4.420 nan 0.000 0.248 42 P C -0.376 176.950 177.300 0.043 0.000 1.708 42 P CA 0.233 63.385 63.100 0.087 0.000 1.062 42 P CB 0.230 32.017 31.700 0.144 0.000 1.562 43 E N -0.275 119.917 120.200 -0.012 0.000 2.481 43 E HA 0.022 4.372 4.350 -0.001 0.000 0.195 43 E C 0.612 177.175 176.600 -0.063 0.000 1.047 43 E CA 0.292 56.663 56.400 -0.048 0.000 0.867 43 E CB 0.145 29.796 29.700 -0.081 0.000 0.858 43 E HN 0.200 nan 8.360 nan 0.000 0.513 44 L N -0.355 120.850 121.223 -0.031 0.000 2.808 44 L HA 0.119 4.459 4.340 -0.001 0.000 0.246 44 L C -0.223 176.703 176.870 0.093 0.000 1.153 44 L CA 0.152 54.981 54.840 -0.018 0.000 0.956 44 L CB 0.022 42.049 42.059 -0.054 0.000 1.270 44 L HN 0.088 nan 8.230 nan 0.000 0.528 45 Y N 0.762 121.026 120.300 -0.059 0.000 2.491 45 Y HA 0.473 5.023 4.550 -0.001 0.000 0.334 45 Y C -0.870 175.002 175.900 -0.047 0.000 0.969 45 Y CA -1.238 56.830 58.100 -0.054 0.000 1.241 45 Y CB 0.819 39.248 38.460 -0.052 0.000 1.105 45 Y HN -0.170 nan 8.280 nan 0.000 0.503 46 L N 5.007 126.274 121.223 0.073 0.000 2.282 46 L HA 0.274 4.613 4.340 -0.001 0.000 0.288 46 L C 0.133 176.913 176.870 -0.151 0.000 1.033 46 L CA -0.132 54.666 54.840 -0.071 0.000 0.807 46 L CB 1.707 43.763 42.059 -0.005 0.000 1.209 46 L HN 0.518 nan 8.230 nan 0.000 0.423 47 S N 3.164 118.746 115.700 -0.196 0.000 2.409 47 S HA 0.407 4.877 4.470 -0.001 0.000 0.308 47 S C -0.274 174.283 174.600 -0.072 0.000 1.080 47 S CA -0.610 57.489 58.200 -0.168 0.000 1.081 47 S CB 0.115 63.199 63.200 -0.194 0.000 1.009 47 S HN 0.313 nan 8.310 nan 0.000 0.502 48 V N 7.413 127.306 119.914 -0.036 0.000 2.415 48 V HA 0.164 4.284 4.120 -0.001 0.000 0.267 48 V C 0.634 176.768 176.094 0.066 0.000 1.042 48 V CA -0.294 62.012 62.300 0.009 0.000 1.000 48 V CB 0.029 31.857 31.823 0.008 0.000 1.015 48 V HN 0.846 nan 8.190 nan 0.000 0.478 49 H N 4.738 123.781 119.070 -0.044 0.000 2.519 49 H HA 0.347 4.903 4.556 -0.001 0.000 0.316 49 H C -1.090 174.222 175.328 -0.026 0.000 1.065 49 H CA -0.733 55.291 56.048 -0.041 0.000 1.264 49 H CB 1.232 30.961 29.762 -0.056 0.000 1.413 49 H HN 0.683 nan 8.280 nan 0.000 0.465 50 D N 7.006 127.339 120.400 -0.111 0.000 2.434 50 D HA 0.221 4.861 4.640 -0.001 0.000 0.275 50 D C -1.876 174.292 176.300 -0.220 0.000 1.172 50 D CA -2.480 51.417 54.000 -0.172 0.000 0.916 50 D CB 1.622 42.405 40.800 -0.027 0.000 1.041 50 D HN 0.372 nan 8.370 nan 0.000 0.501 51 P HA -0.139 nan 4.420 nan 0.000 0.214 51 P C 1.184 178.404 177.300 -0.134 0.000 1.163 51 P CA 1.547 64.485 63.100 -0.271 0.000 0.889 51 P CB 0.258 31.759 31.700 -0.332 0.000 0.790 52 A N -1.367 121.385 122.820 -0.113 0.000 2.019 52 A HA 0.150 4.470 4.320 -0.001 0.000 0.219 52 A C 2.037 179.612 177.584 -0.016 0.000 1.164 52 A CA 1.909 53.916 52.037 -0.048 0.000 0.644 52 A CB -1.492 17.514 19.000 0.010 0.000 0.805 52 A HN 0.307 nan 8.150 nan 0.000 0.449 53 G N -2.044 106.747 108.800 -0.015 0.000 2.253 53 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.251 53 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.251 53 G C 1.433 176.355 174.900 0.036 0.000 0.998 53 G CA 1.277 46.384 45.100 0.013 0.000 0.621 53 G HN 1.484 nan 8.290 nan 0.000 0.524 54 A N 0.023 122.868 122.820 0.042 0.000 1.908 54 A HA 0.176 4.496 4.320 -0.001 0.000 0.218 54 A C 2.402 180.017 177.584 0.052 0.000 1.181 54 A CA 2.457 54.524 52.037 0.050 0.000 0.627 54 A CB -0.356 18.679 19.000 0.060 0.000 0.818 54 A HN 1.382 nan 8.150 nan 0.000 0.445 55 L N -0.010 121.256 121.223 0.071 0.000 2.017 55 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 55 L C 2.529 179.504 176.870 0.175 0.000 1.073 55 L CA 2.462 57.373 54.840 0.118 0.000 0.745 55 L CB -0.715 41.424 42.059 0.134 0.000 0.894 55 L HN 0.533 nan 8.230 nan 0.000 0.432 56 Q N -0.644 119.237 119.800 0.134 0.000 2.119 56 Q HA -0.097 4.243 4.340 -0.001 0.000 0.201 56 Q C 2.213 178.290 176.000 0.128 0.000 0.972 56 Q CA 1.362 57.253 55.803 0.147 0.000 0.847 56 Q CB -0.386 28.408 28.738 0.093 0.000 0.903 56 Q HN 0.674 nan 8.270 nan 0.000 0.433 57 A N 1.433 124.303 122.820 0.084 0.000 1.969 57 A HA -0.025 4.294 4.320 -0.001 0.000 0.218 57 A C 2.342 179.964 177.584 0.062 0.000 1.169 57 A CA 1.384 53.463 52.037 0.069 0.000 0.635 57 A CB -0.548 18.485 19.000 0.055 0.000 0.810 57 A HN 0.370 nan 8.150 nan 0.000 0.445 58 A N -1.109 121.716 122.820 0.009 0.000 1.902 58 A HA 0.019 4.339 4.320 -0.001 0.000 0.217 58 A C 1.769 179.232 177.584 -0.202 0.000 1.181 58 A CA 1.345 53.316 52.037 -0.110 0.000 0.623 58 A CB -0.648 18.141 19.000 -0.352 0.000 0.818 58 A HN 0.505 nan 8.150 nan 0.000 0.443 59 F N -1.333 118.668 119.950 0.084 0.000 2.765 59 F HA 0.161 4.688 4.527 -0.000 0.000 0.302 59 F C 2.332 178.191 175.800 0.098 0.000 1.111 59 F CA 0.049 58.079 58.000 0.049 0.000 1.359 59 F CB 0.234 39.184 39.000 -0.084 0.000 1.097 59 F HN 0.023 nan 8.300 nan 0.000 0.577 60 R N 0.348 120.969 120.500 0.202 0.000 2.161 60 R HA 0.094 4.434 4.340 -0.001 0.000 0.213 60 R C 1.905 178.284 176.300 0.131 0.000 1.055 60 R CA 0.695 56.883 56.100 0.147 0.000 0.996 60 R CB -0.151 30.209 30.300 0.099 0.000 0.901 60 R HN 0.272 nan 8.270 nan 0.000 0.456 61 R N -1.352 119.225 120.500 0.128 0.000 2.210 61 R HA 0.023 4.362 4.340 -0.001 0.000 0.203 61 R C 0.065 176.444 176.300 0.133 0.000 1.010 61 R CA -0.203 55.949 56.100 0.086 0.000 1.008 61 R CB -0.060 30.256 30.300 0.025 0.000 0.923 61 R HN -0.001 nan 8.270 nan 0.000 0.469 62 Y N 3.065 123.399 120.300 0.058 0.000 2.996 62 Y HA -0.091 4.459 4.550 -0.001 0.000 0.347 62 Y C -1.950 173.988 175.900 0.062 0.000 1.276 62 Y CA -1.816 56.333 58.100 0.082 0.000 1.601 62 Y CB 0.055 38.630 38.460 0.192 0.000 1.193 62 Y HN -0.014 nan 8.280 nan 0.000 0.582 63 P HA -0.028 nan 4.420 nan 0.000 0.262 63 P C -0.472 176.787 177.300 -0.068 0.000 1.182 63 P CA 0.197 63.199 63.100 -0.163 0.000 0.761 63 P CB 0.375 31.921 31.700 -0.257 0.000 0.795 64 R N 2.812 123.310 120.500 -0.005 0.000 2.643 64 R HA 0.281 4.620 4.340 -0.001 0.000 0.270 64 R C 1.355 177.663 176.300 0.015 0.000 1.061 64 R CA 1.026 57.145 56.100 0.032 0.000 1.107 64 R CB -0.439 29.877 30.300 0.026 0.000 0.999 64 R HN 0.781 nan 8.270 nan 0.000 0.460 65 G N 1.646 110.469 108.800 0.038 0.000 2.196 65 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.268 65 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.268 65 G C 0.153 175.066 174.900 0.022 0.000 0.975 65 G CA 0.389 45.505 45.100 0.027 0.000 0.648 65 G HN 0.921 nan 8.290 nan 0.000 0.538 66 A N 0.594 123.422 122.820 0.013 0.000 2.407 66 A HA 0.658 4.978 4.320 -0.001 0.000 0.248 66 A C -0.650 176.983 177.584 0.082 0.000 1.082 66 A CA -0.347 51.680 52.037 -0.017 0.000 0.785 66 A CB 0.057 18.935 19.000 -0.203 0.000 1.020 66 A HN 0.278 nan 8.150 nan 0.000 0.489 67 P HA 0.246 nan 4.420 nan 0.000 0.271 67 P C -0.140 177.236 177.300 0.126 0.000 1.233 67 P CA 0.287 63.429 63.100 0.071 0.000 0.795 67 P CB 0.326 32.047 31.700 0.034 0.000 0.936 68 A N 2.113 124.964 122.820 0.052 0.000 2.401 68 A HA 0.423 4.743 4.320 -0.001 0.000 0.259 68 A C -1.867 175.688 177.584 -0.050 0.000 1.103 68 A CA -0.969 51.077 52.037 0.015 0.000 0.789 68 A CB -0.939 18.044 19.000 -0.028 0.000 1.035 68 A HN 0.433 nan 8.150 nan 0.000 0.491 69 P HA 0.201 nan 4.420 nan 0.000 0.277 69 P C -0.809 176.420 177.300 -0.119 0.000 1.240 69 P CA -0.216 62.843 63.100 -0.068 0.000 0.798 69 P CB 0.513 32.243 31.700 0.050 0.000 0.979 70 H N 0.153 119.289 119.070 0.110 0.000 2.683 70 H HA 0.206 4.762 4.556 -0.001 0.000 0.339 70 H C 0.088 175.470 175.328 0.090 0.000 1.081 70 H CA -0.066 56.044 56.048 0.103 0.000 1.432 70 H CB 0.605 30.438 29.762 0.118 0.000 1.462 70 H HN 0.430 nan 8.280 nan 0.000 0.557 71 c N 3.685 122.406 118.600 0.203 0.000 2.535 71 c HA 0.414 4.984 4.570 -0.001 0.000 0.319 71 c C -0.381 173.811 174.090 0.170 0.000 1.171 71 c CA -0.430 55.978 56.329 0.132 0.000 1.394 71 c CB 0.615 43.143 42.510 0.030 0.000 1.990 71 c HN 0.972 nan 8.230 nan 0.000 0.466 72 E N 5.007 125.299 120.200 0.153 0.000 2.248 72 E HA 0.623 4.973 4.350 -0.001 0.000 0.267 72 E C -1.316 175.362 176.600 0.131 0.000 0.877 72 E CA -0.511 55.983 56.400 0.158 0.000 0.759 72 E CB 1.761 31.532 29.700 0.118 0.000 1.182 72 E HN 0.837 nan 8.360 nan 0.000 0.418 73 M N 2.819 122.508 119.600 0.148 0.000 2.535 73 M HA 0.516 4.996 4.480 -0.001 0.000 0.314 73 M C -1.473 174.873 176.300 0.077 0.000 1.153 73 M CA -0.351 55.060 55.300 0.186 0.000 0.924 73 M CB 1.823 34.613 32.600 0.317 0.000 1.710 73 M HN 0.682 nan 8.290 nan 0.000 0.451 74 S N 2.431 118.210 115.700 0.132 0.000 2.587 74 S HA 0.608 5.077 4.470 -0.001 0.000 0.269 74 S C -1.429 173.317 174.600 0.244 0.000 1.154 74 S CA -1.260 56.942 58.200 0.002 0.000 0.824 74 S CB 1.502 64.670 63.200 -0.054 0.000 1.118 74 S HN 0.730 nan 8.310 nan 0.000 0.462 75 R N 0.878 121.523 120.500 0.243 0.000 2.347 75 R HA 0.424 4.764 4.340 -0.001 0.000 0.304 75 R C -1.115 175.356 176.300 0.285 0.000 1.072 75 R CA -0.162 56.127 56.100 0.314 0.000 0.980 75 R CB 0.027 30.494 30.300 0.277 0.000 0.986 75 R HN 0.697 nan 8.270 nan 0.000 0.448 76 F N 2.592 122.657 119.950 0.192 0.000 2.480 76 F HA 0.392 4.918 4.527 -0.001 0.000 0.329 76 F C -0.684 175.178 175.800 0.105 0.000 1.091 76 F CA -0.896 57.181 58.000 0.128 0.000 0.972 76 F CB 1.462 40.548 39.000 0.144 0.000 1.150 76 F HN 0.098 nan 8.300 nan 0.000 0.467 77 V N 7.083 126.459 119.914 -0.896 0.000 2.409 77 V HA 0.344 4.464 4.120 -0.001 0.000 0.290 77 V C -2.138 173.343 176.094 -1.022 0.000 1.017 77 V CA -1.784 60.128 62.300 -0.647 0.000 0.841 77 V CB 1.194 32.826 31.823 -0.318 0.000 1.003 77 V HN 0.646 nan 8.190 nan 0.000 0.426 78 P HA 0.194 nan 4.420 nan 0.000 0.264 78 P C -0.868 176.345 177.300 -0.144 0.000 1.183 78 P CA 0.094 62.946 63.100 -0.413 0.000 0.763 78 P CB 1.337 32.848 31.700 -0.315 0.000 0.807 79 L N 4.713 125.919 121.223 -0.028 0.000 2.591 79 L HA 0.487 4.826 4.340 -0.001 0.000 0.257 79 L C -2.868 173.875 176.870 -0.212 0.000 0.935 79 L CA -2.038 52.783 54.840 -0.031 0.000 0.873 79 L CB 2.069 44.047 42.059 -0.137 0.000 1.397 79 L HN 0.141 nan 8.230 nan 0.000 0.414 80 P HA 0.240 nan 4.420 nan 0.000 0.266 80 P C -0.904 176.219 177.300 -0.295 0.000 1.193 80 P CA 0.064 62.838 63.100 -0.544 0.000 0.770 80 P CB 0.491 31.879 31.700 -0.520 0.000 0.836 81 A N 2.458 125.111 122.820 -0.278 0.000 2.498 81 A HA 0.161 4.481 4.320 -0.001 0.000 0.239 81 A C 1.625 179.030 177.584 -0.298 0.000 1.068 81 A CA 0.642 52.531 52.037 -0.247 0.000 0.766 81 A CB -0.320 18.393 19.000 -0.478 0.000 1.003 81 A HN 0.626 nan 8.150 nan 0.000 0.497 82 S N 2.045 117.603 115.700 -0.236 0.000 2.387 82 S HA 0.192 4.662 4.470 -0.001 0.000 0.226 82 S C 1.144 175.585 174.600 -0.265 0.000 1.026 82 S CA 0.618 58.693 58.200 -0.208 0.000 0.972 82 S CB -0.675 62.447 63.200 -0.131 0.000 0.814 82 S HN 1.682 nan 8.310 nan 0.000 0.477 83 A N 2.342 124.922 122.820 -0.399 0.000 2.498 83 A HA 0.289 4.609 4.320 -0.001 0.000 0.239 83 A C 1.402 178.695 177.584 -0.485 0.000 1.068 83 A CA -0.288 51.476 52.037 -0.456 0.000 0.766 83 A CB 0.157 18.635 19.000 -0.870 0.000 1.003 83 A HN 0.286 nan 8.150 nan 0.000 0.497 84 K N 1.565 121.824 120.400 -0.236 0.000 2.217 84 K HA -0.125 4.195 4.320 -0.001 0.000 0.202 84 K C 1.591 178.097 176.600 -0.156 0.000 1.051 84 K CA 1.848 58.033 56.287 -0.170 0.000 0.952 84 K CB -0.265 32.200 32.500 -0.059 0.000 0.736 84 K HN 0.979 nan 8.250 nan 0.000 0.453 85 W N 0.712 121.951 121.300 -0.102 0.000 2.392 85 W HA -0.012 4.647 4.660 -0.001 0.000 0.279 85 W C 1.384 177.821 176.519 -0.137 0.000 1.225 85 W CA 1.124 58.407 57.345 -0.104 0.000 1.233 85 W CB -0.627 28.776 29.460 -0.095 0.000 1.122 85 W HN 0.007 nan 8.180 nan 0.000 0.561 86 A N 0.983 123.138 122.820 -1.109 0.000 2.178 86 A HA 0.025 4.345 4.320 -0.001 0.000 0.211 86 A C 2.169 179.484 177.584 -0.448 0.000 1.157 86 A CA 1.183 52.699 52.037 -0.867 0.000 0.780 86 A CB -1.174 17.050 19.000 -1.292 0.000 0.828 86 A HN 0.420 nan 8.150 nan 0.000 0.476 87 S N -0.065 115.422 115.700 -0.354 0.000 2.423 87 S HA -0.140 4.329 4.470 -0.001 0.000 0.238 87 S C 1.927 176.436 174.600 -0.152 0.000 1.028 87 S CA 1.504 59.566 58.200 -0.231 0.000 1.000 87 S CB -1.127 61.972 63.200 -0.167 0.000 0.797 87 S HN 0.687 nan 8.310 nan 0.000 0.487 88 G N 1.653 110.382 108.800 -0.117 0.000 2.462 88 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.220 88 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.220 88 G C 1.357 176.224 174.900 -0.054 0.000 1.121 88 G CA 0.861 45.923 45.100 -0.063 0.000 0.758 88 G HN 0.568 nan 8.290 nan 0.000 0.559 89 L N 0.010 121.181 121.223 -0.086 0.000 2.275 89 L HA 0.048 4.388 4.340 -0.001 0.000 0.215 89 L C 1.051 177.905 176.870 -0.027 0.000 1.119 89 L CA 0.745 55.556 54.840 -0.048 0.000 0.790 89 L CB 0.064 42.080 42.059 -0.072 0.000 0.919 89 L HN 0.028 nan 8.230 nan 0.000 0.443 90 T N 0.647 115.157 114.554 -0.074 0.000 3.401 90 T HA 0.198 4.548 4.350 -0.001 0.000 0.341 90 T C -1.542 173.143 174.700 -0.026 0.000 1.674 90 T CA -0.912 61.158 62.100 -0.050 0.000 1.600 90 T CB 1.124 69.869 68.868 -0.205 0.000 0.974 90 T HN 0.064 nan 8.240 nan 0.000 0.672 91 P HA 0.061 nan 4.420 nan 0.000 0.214 91 P C 0.633 177.948 177.300 0.025 0.000 1.162 91 P CA 0.396 63.501 63.100 0.009 0.000 0.874 91 P CB 0.113 31.824 31.700 0.019 0.000 0.784 92 A N 1.181 124.032 122.820 0.052 0.000 2.511 92 A HA 0.053 4.372 4.320 -0.001 0.000 0.242 92 A C 0.641 178.268 177.584 0.071 0.000 1.069 92 A CA 0.068 52.141 52.037 0.061 0.000 0.763 92 A CB -0.206 18.840 19.000 0.076 0.000 1.001 92 A HN 0.114 nan 8.150 nan 0.000 0.498 93 Q N 1.716 121.548 119.800 0.055 0.000 3.122 93 Q HA 0.190 4.530 4.340 -0.001 0.000 0.360 93 Q C -0.921 175.123 176.000 0.074 0.000 1.300 93 Q CA 0.084 55.921 55.803 0.056 0.000 0.982 93 Q CB -0.616 28.140 28.738 0.030 0.000 1.534 93 Q HN 0.852 nan 8.270 nan 0.000 0.474 94 N N -2.653 116.115 118.700 0.114 0.000 2.636 94 N HA 0.243 4.983 4.740 -0.001 0.000 0.261 94 N C -1.204 174.362 175.510 0.094 0.000 1.195 94 N CA -0.687 52.418 53.050 0.092 0.000 0.902 94 N CB 0.359 38.875 38.487 0.049 0.000 1.627 94 N HN -0.092 nan 8.380 nan 0.000 0.491 95 C N 1.466 120.761 119.300 -0.008 0.000 2.585 95 C HA 0.481 4.941 4.460 -0.001 0.000 0.406 95 C C -1.813 173.017 174.990 -0.266 0.000 1.312 95 C CA -0.527 58.313 59.018 -0.297 0.000 1.924 95 C CB -0.444 27.167 27.740 -0.214 0.000 2.578 95 C HN 0.643 nan 8.230 nan 0.000 0.580 96 P HA 0.195 nan 4.420 nan 0.000 0.271 96 P C 0.752 178.002 177.300 -0.083 0.000 1.216 96 P CA -0.112 62.896 63.100 -0.154 0.000 0.771 96 P CB 0.464 32.091 31.700 -0.121 0.000 0.864 97 R N 3.126 123.617 120.500 -0.016 0.000 2.115 97 R HA -0.082 4.258 4.340 -0.001 0.000 0.226 97 R C 1.761 178.091 176.300 0.050 0.000 1.100 97 R CA 1.247 57.355 56.100 0.014 0.000 0.980 97 R CB -0.563 29.748 30.300 0.019 0.000 0.875 97 R HN 0.560 nan 8.270 nan 0.000 0.445 98 A N 0.744 123.603 122.820 0.066 0.000 2.139 98 A HA -0.100 4.219 4.320 -0.001 0.000 0.221 98 A C 1.633 179.324 177.584 0.177 0.000 1.159 98 A CA 0.996 53.096 52.037 0.105 0.000 0.662 98 A CB -0.306 18.767 19.000 0.122 0.000 0.796 98 A HN 0.343 nan 8.150 nan 0.000 0.463 99 L N -0.149 121.195 121.223 0.202 0.000 2.685 99 L HA 0.156 4.495 4.340 -0.001 0.000 0.233 99 L C -0.439 176.671 176.870 0.400 0.000 1.173 99 L CA -0.619 54.471 54.840 0.416 0.000 0.961 99 L CB -0.331 41.902 42.059 0.290 0.000 1.217 99 L HN 0.098 nan 8.230 nan 0.000 0.478 100 D N 1.403 121.926 120.400 0.205 0.000 2.368 100 D HA 0.453 5.093 4.640 -0.001 0.000 0.240 100 D C 0.751 177.132 176.300 0.136 0.000 1.169 100 D CA 1.102 55.195 54.000 0.155 0.000 0.906 100 D CB 1.243 42.089 40.800 0.076 0.000 1.187 100 D HN 0.244 nan 8.370 nan 0.000 0.435 101 G N -0.822 108.042 108.800 0.108 0.000 2.619 101 G HA2 0.344 4.304 3.960 -0.001 0.000 0.686 101 G HA3 0.344 4.304 3.960 -0.001 0.000 0.686 101 G C -0.498 174.432 174.900 0.051 0.000 1.256 101 G CA -0.366 44.744 45.100 0.016 0.000 0.826 101 G HN 0.634 nan 8.290 nan 0.000 0.619 102 A N -0.100 122.716 122.820 -0.006 0.000 2.332 102 A HA 0.788 5.108 4.320 -0.001 0.000 0.258 102 A C -0.414 177.141 177.584 -0.048 0.000 1.087 102 A CA 0.342 52.435 52.037 0.094 0.000 0.802 102 A CB 0.463 19.512 19.000 0.081 0.000 1.042 102 A HN 1.375 nan 8.150 nan 0.000 0.489 103 W N -0.133 121.266 121.300 0.164 0.000 2.950 103 W HA 0.661 5.321 4.660 -0.000 0.000 0.340 103 W C -0.812 175.847 176.519 0.233 0.000 1.139 103 W CA -0.385 57.091 57.345 0.219 0.000 1.188 103 W CB 1.619 31.313 29.460 0.390 0.000 1.426 103 W HN 0.465 nan 8.180 nan 0.000 0.531 104 L N 3.737 125.207 121.223 0.412 0.000 2.408 104 L HA 0.526 4.866 4.340 -0.001 0.000 0.268 104 L C -0.446 176.582 176.870 0.262 0.000 0.986 104 L CA -1.116 53.920 54.840 0.327 0.000 0.820 104 L CB 1.963 44.163 42.059 0.235 0.000 1.303 104 L HN 0.287 nan 8.230 nan 0.000 0.411 105 M N 3.849 123.588 119.600 0.232 0.000 2.205 105 M HA 0.459 4.939 4.480 -0.001 0.000 0.344 105 M C -1.589 174.778 176.300 0.112 0.000 1.085 105 M CA -0.545 54.822 55.300 0.111 0.000 1.001 105 M CB 1.662 34.327 32.600 0.108 0.000 1.626 105 M HN 0.284 nan 8.290 nan 0.000 0.442 106 V N 4.328 124.291 119.914 0.082 0.000 2.384 106 V HA 0.405 4.525 4.120 -0.001 0.000 0.287 106 V C -0.203 175.936 176.094 0.075 0.000 1.020 106 V CA -0.418 61.936 62.300 0.089 0.000 0.850 106 V CB 1.874 33.750 31.823 0.089 0.000 0.987 106 V HN 0.934 nan 8.190 nan 0.000 0.436 107 S N 6.477 122.227 115.700 0.083 0.000 2.498 107 S HA 0.637 5.106 4.470 -0.001 0.000 0.324 107 S C -0.404 174.261 174.600 0.109 0.000 1.071 107 S CA -0.289 57.959 58.200 0.081 0.000 1.113 107 S CB 0.563 63.804 63.200 0.070 0.000 0.976 107 S HN 0.529 nan 8.310 nan 0.000 0.462 108 I N 3.441 124.084 120.570 0.122 0.000 2.406 108 I HA 0.454 4.623 4.170 -0.001 0.000 0.290 108 I C 0.004 176.215 176.117 0.157 0.000 0.999 108 I CA -0.255 61.143 61.300 0.163 0.000 1.124 108 I CB 1.739 39.889 38.000 0.250 0.000 1.289 108 I HN 0.617 nan 8.210 nan 0.000 0.441 109 S N 4.202 120.011 115.700 0.182 0.000 2.549 109 S HA 0.916 5.386 4.470 -0.001 0.000 0.280 109 S C -0.609 174.108 174.600 0.195 0.000 1.109 109 S CA -0.542 57.765 58.200 0.179 0.000 0.905 109 S CB 2.148 65.453 63.200 0.176 0.000 1.081 109 S HN 0.733 nan 8.310 nan 0.000 0.477 110 S N 0.455 116.262 115.700 0.178 0.000 2.661 110 S HA 0.648 5.118 4.470 -0.001 0.000 0.268 110 S C -2.772 171.911 174.600 0.139 0.000 1.162 110 S CA -0.954 57.342 58.200 0.160 0.000 0.817 110 S CB 0.819 64.166 63.200 0.245 0.000 1.141 110 S HN 0.499 nan 8.310 nan 0.000 0.477 111 P HA 0.134 nan 4.420 nan 0.000 0.237 111 P C 1.144 178.480 177.300 0.059 0.000 1.178 111 P CA 0.351 63.495 63.100 0.075 0.000 0.766 111 P CB -0.041 31.688 31.700 0.049 0.000 0.876 112 V N -0.513 119.441 119.914 0.066 0.000 2.500 112 V HA 0.017 4.137 4.120 -0.001 0.000 0.243 112 V C 1.278 177.454 176.094 0.137 0.000 1.039 112 V CA 1.204 63.535 62.300 0.052 0.000 1.053 112 V CB -0.549 31.225 31.823 -0.082 0.000 0.695 112 V HN 0.089 nan 8.190 nan 0.000 0.463 113 L N -3.285 118.022 121.223 0.139 0.000 2.720 113 L HA 0.825 5.165 4.340 -0.001 0.000 0.261 113 L C -0.882 176.013 176.870 0.042 0.000 1.046 113 L CA -0.646 54.214 54.840 0.033 0.000 0.886 113 L CB 1.808 43.794 42.059 -0.121 0.000 1.493 113 L HN -0.196 nan 8.230 nan 0.000 0.407 114 S N 1.019 116.711 115.700 -0.013 0.000 2.733 114 S HA 0.829 5.299 4.470 -0.001 0.000 0.294 114 S C -1.322 173.265 174.600 -0.021 0.000 1.149 114 S CA -0.517 57.698 58.200 0.024 0.000 1.034 114 S CB 0.679 63.907 63.200 0.047 0.000 1.015 114 S HN 1.104 nan 8.310 nan 0.000 0.486 115 L N 3.567 124.793 121.223 0.005 0.000 2.371 115 L HA 0.905 5.245 4.340 -0.001 0.000 0.262 115 L C -1.004 175.883 176.870 0.029 0.000 1.006 115 L CA -0.310 54.528 54.840 -0.004 0.000 0.818 115 L CB 2.160 44.206 42.059 -0.022 0.000 1.354 115 L HN 0.649 nan 8.230 nan 0.000 0.415 116 S N 1.455 117.163 115.700 0.013 0.000 2.547 116 S HA 0.776 5.245 4.470 -0.001 0.000 0.281 116 S C -1.276 173.332 174.600 0.014 0.000 1.118 116 S CA -0.324 57.881 58.200 0.009 0.000 0.947 116 S CB 1.789 64.970 63.200 -0.031 0.000 1.053 116 S HN 0.727 nan 8.310 nan 0.000 0.482 117 S N 3.044 118.757 115.700 0.023 0.000 2.549 117 S HA 0.619 5.089 4.470 -0.001 0.000 0.280 117 S C -1.401 173.208 174.600 0.013 0.000 1.109 117 S CA -0.624 57.596 58.200 0.033 0.000 0.905 117 S CB 1.172 64.414 63.200 0.069 0.000 1.081 117 S HN 0.676 nan 8.310 nan 0.000 0.477 118 L N 3.339 124.579 121.223 0.028 0.000 2.280 118 L HA 0.543 4.883 4.340 -0.001 0.000 0.287 118 L C -1.336 175.639 176.870 0.174 0.000 1.023 118 L CA -0.664 54.213 54.840 0.062 0.000 0.819 118 L CB 0.943 43.004 42.059 0.003 0.000 1.212 118 L HN 0.354 nan 8.230 nan 0.000 0.420 119 L N 4.007 125.329 121.223 0.165 0.000 2.330 119 L HA 0.534 4.874 4.340 -0.001 0.000 0.271 119 L C -0.064 176.789 176.870 -0.029 0.000 1.013 119 L CA -0.333 54.549 54.840 0.070 0.000 0.816 119 L CB 1.856 43.946 42.059 0.052 0.000 1.287 119 L HN 0.418 nan 8.230 nan 0.000 0.435 120 R N 2.938 123.325 120.500 -0.189 0.000 2.312 120 R HA 0.385 4.724 4.340 -0.001 0.000 0.310 120 R C -2.451 173.729 176.300 -0.200 0.000 1.064 120 R CA -1.502 54.376 56.100 -0.371 0.000 0.983 120 R CB 1.185 31.132 30.300 -0.589 0.000 1.139 120 R HN 0.373 nan 8.270 nan 0.000 0.536 121 P HA 0.048 nan 4.420 nan 0.000 0.277 121 P C -0.636 176.605 177.300 -0.097 0.000 1.240 121 P CA -0.494 62.553 63.100 -0.087 0.000 0.798 121 P CB 1.014 32.684 31.700 -0.050 0.000 0.979 122 Q N 1.758 121.510 119.800 -0.081 0.000 2.454 122 Q HA 0.091 4.431 4.340 -0.001 0.000 0.247 122 Q C -1.379 174.584 176.000 -0.062 0.000 1.028 122 Q CA -1.159 54.599 55.803 -0.074 0.000 0.910 122 Q CB -0.401 28.297 28.738 -0.068 0.000 1.276 122 Q HN 0.360 nan 8.270 nan 0.000 0.489 123 P HA -0.171 nan 4.420 nan 0.000 0.215 123 P C -0.707 176.571 177.300 -0.036 0.000 1.153 123 P CA 1.517 64.593 63.100 -0.040 0.000 0.853 123 P CB 0.376 32.055 31.700 -0.034 0.000 0.788 124 E N -2.939 117.238 120.200 -0.039 0.000 2.266 124 E HA 0.317 4.667 4.350 -0.001 0.000 0.268 124 E C -2.348 174.228 176.600 -0.041 0.000 0.879 124 E CA -2.565 53.814 56.400 -0.035 0.000 0.762 124 E CB -0.165 29.517 29.700 -0.030 0.000 1.199 124 E HN -0.169 nan 8.360 nan 0.000 0.422 125 P HA -0.174 nan 4.420 nan 0.000 0.211 125 P C -0.424 176.848 177.300 -0.045 0.000 1.179 125 P CA 0.973 64.048 63.100 -0.041 0.000 0.910 125 P CB 0.088 31.773 31.700 -0.025 0.000 0.785 126 Q N -0.269 119.510 119.800 -0.035 0.000 3.031 126 Q HA -0.176 4.163 4.340 -0.001 0.000 0.371 126 Q C 0.065 176.038 176.000 -0.045 0.000 1.331 126 Q CA 1.478 57.260 55.803 -0.034 0.000 0.789 126 Q CB -0.376 28.344 28.738 -0.030 0.000 1.346 126 Q HN 0.301 nan 8.270 nan 0.000 0.597 127 Q N 0.239 120.014 119.800 -0.041 0.000 2.574 127 Q HA 0.176 4.516 4.340 -0.001 0.000 0.265 127 Q C -0.457 175.520 176.000 -0.039 0.000 0.975 127 Q CA -0.192 55.582 55.803 -0.049 0.000 0.923 127 Q CB 0.966 29.664 28.738 -0.066 0.000 1.518 127 Q HN 0.390 nan 8.270 nan 0.000 0.401 128 E N 2.335 122.512 120.200 -0.038 0.000 2.012 128 E HA -0.091 4.259 4.350 -0.001 0.000 0.197 128 E C -0.917 175.666 176.600 -0.028 0.000 1.007 128 E CA 2.639 59.020 56.400 -0.031 0.000 0.816 128 E CB -0.565 29.116 29.700 -0.032 0.000 0.762 128 E HN 0.693 nan 8.360 nan 0.000 0.451 129 P HA -0.064 nan 4.420 nan 0.000 0.208 129 P C 0.090 177.377 177.300 -0.020 0.000 1.195 129 P CA 1.090 64.174 63.100 -0.027 0.000 0.927 129 P CB 0.163 31.842 31.700 -0.034 0.000 0.778 130 V N -0.421 119.478 119.914 -0.026 0.000 3.001 130 V HA 0.248 4.367 4.120 -0.001 0.000 0.314 130 V C -0.156 175.927 176.094 -0.019 0.000 1.099 130 V CA -1.056 61.239 62.300 -0.009 0.000 0.989 130 V CB 2.080 33.909 31.823 0.011 0.000 1.040 130 V HN -0.038 nan 8.190 nan 0.000 0.434 131 L N 4.850 126.079 121.223 0.010 0.000 2.433 131 L HA 0.495 4.835 4.340 -0.001 0.000 0.284 131 L C -0.502 176.375 176.870 0.011 0.000 1.120 131 L CA 0.823 55.668 54.840 0.008 0.000 0.879 131 L CB -0.411 41.664 42.059 0.027 0.000 1.232 131 L HN 0.555 nan 8.230 nan 0.000 0.454 132 I N 3.132 123.653 120.570 -0.082 0.000 2.918 132 I HA 0.333 4.502 4.170 -0.001 0.000 0.301 132 I C -0.892 175.122 176.117 -0.172 0.000 1.312 132 I CA -0.286 60.886 61.300 -0.214 0.000 1.007 132 I CB 2.655 40.347 38.000 -0.513 0.000 1.281 132 I HN 0.398 nan 8.210 nan 0.000 0.440 133 T N 6.997 121.452 114.554 -0.165 0.000 2.744 133 T HA 0.362 4.712 4.350 -0.001 0.000 0.291 133 T C 0.135 174.760 174.700 -0.125 0.000 0.957 133 T CA -0.357 61.675 62.100 -0.113 0.000 1.002 133 T CB 0.404 69.229 68.868 -0.071 0.000 0.919 133 T HN 0.386 nan 8.240 nan 0.000 0.468 134 M N 3.560 123.097 119.600 -0.105 0.000 2.219 134 M HA 0.497 4.977 4.480 -0.001 0.000 0.353 134 M C 0.087 176.346 176.300 -0.069 0.000 1.304 134 M CA -0.094 55.151 55.300 -0.091 0.000 1.115 134 M CB 0.036 32.586 32.600 -0.085 0.000 1.664 134 M HN 0.749 nan 8.290 nan 0.000 0.459 135 A N 2.862 125.653 122.820 -0.049 0.000 2.449 135 A HA 0.838 5.158 4.320 -0.001 0.000 0.302 135 A C -0.787 176.790 177.584 -0.013 0.000 1.048 135 A CA -0.699 51.313 52.037 -0.042 0.000 0.708 135 A CB 1.252 20.231 19.000 -0.034 0.000 1.274 135 A HN 0.647 nan 8.150 nan 0.000 0.410 136 T N 1.379 115.908 114.554 -0.041 0.000 2.797 136 T HA 0.489 4.839 4.350 -0.001 0.000 0.279 136 T C -0.324 174.332 174.700 -0.073 0.000 0.991 136 T CA -0.348 61.723 62.100 -0.048 0.000 0.979 136 T CB 1.343 70.181 68.868 -0.050 0.000 0.943 136 T HN 0.492 nan 8.240 nan 0.000 0.444 137 V N 4.585 124.450 119.914 -0.082 0.000 2.427 137 V HA 0.107 4.227 4.120 -0.001 0.000 0.268 137 V C 1.095 177.178 176.094 -0.018 0.000 1.046 137 V CA 0.026 62.310 62.300 -0.027 0.000 0.970 137 V CB 0.876 32.688 31.823 -0.018 0.000 1.001 137 V HN 0.842 nan 8.190 nan 0.000 0.476 138 V N 5.285 125.246 119.914 0.079 0.000 2.436 138 V HA 0.216 4.335 4.120 -0.001 0.000 0.240 138 V C 0.324 176.570 176.094 0.252 0.000 1.040 138 V CA 0.710 63.104 62.300 0.156 0.000 1.052 138 V CB 0.250 32.290 31.823 0.362 0.000 0.707 138 V HN 0.624 nan 8.190 nan 0.000 0.469 139 L N -0.137 121.246 121.223 0.267 0.000 2.410 139 L HA 0.685 5.024 4.340 -0.001 0.000 0.270 139 L C -0.755 176.215 176.870 0.168 0.000 0.983 139 L CA 0.300 55.311 54.840 0.285 0.000 0.822 139 L CB 2.148 44.361 42.059 0.257 0.000 1.285 139 L HN 0.022 nan 8.230 nan 0.000 0.409 140 T N 4.141 118.806 114.554 0.186 0.000 2.848 140 T HA 0.697 5.047 4.350 -0.001 0.000 0.285 140 T C -1.143 173.642 174.700 0.141 0.000 0.995 140 T CA -0.399 61.777 62.100 0.126 0.000 0.970 140 T CB 1.677 70.610 68.868 0.109 0.000 0.976 140 T HN 0.351 nan 8.240 nan 0.000 0.441 141 V N 4.575 124.530 119.914 0.068 0.000 2.487 141 V HA 0.719 4.839 4.120 -0.001 0.000 0.298 141 V C -0.749 175.352 176.094 0.012 0.000 1.028 141 V CA -0.772 61.555 62.300 0.045 0.000 0.860 141 V CB 1.558 33.345 31.823 -0.059 0.000 0.991 141 V HN 0.730 nan 8.190 nan 0.000 0.427 142 L N 4.095 125.332 121.223 0.024 0.000 2.393 142 L HA 0.944 5.284 4.340 -0.001 0.000 0.260 142 L C -0.567 176.282 176.870 -0.035 0.000 1.002 142 L CA 0.154 54.968 54.840 -0.044 0.000 0.818 142 L CB 2.660 44.667 42.059 -0.087 0.000 1.369 142 L HN 0.689 nan 8.230 nan 0.000 0.412 143 T N 0.582 115.077 114.554 -0.099 0.000 2.991 143 T HA 0.423 4.773 4.350 -0.001 0.000 0.303 143 T C -0.416 174.211 174.700 -0.122 0.000 1.015 143 T CA -0.201 61.884 62.100 -0.025 0.000 1.007 143 T CB 0.604 69.520 68.868 0.079 0.000 1.034 143 T HN 0.813 nan 8.240 nan 0.000 0.446 144 H N 2.426 121.536 119.070 0.067 0.000 2.519 144 H HA 0.277 4.833 4.556 -0.001 0.000 0.289 144 H C 0.788 176.145 175.328 0.047 0.000 1.040 144 H CA 0.190 56.263 56.048 0.042 0.000 1.165 144 H CB 0.584 30.359 29.762 0.022 0.000 1.462 144 H HN 0.587 nan 8.280 nan 0.000 0.555 145 T N -2.441 112.201 114.554 0.147 0.000 3.658 145 T HA 0.135 4.485 4.350 -0.001 0.000 0.245 145 T C -2.174 172.592 174.700 0.111 0.000 1.292 145 T CA -1.564 60.606 62.100 0.117 0.000 1.598 145 T CB 0.933 69.863 68.868 0.103 0.000 0.861 145 T HN 0.018 nan 8.240 nan 0.000 0.663 146 P HA 0.176 nan 4.420 nan 0.000 0.223 146 P C 0.534 177.897 177.300 0.104 0.000 1.151 146 P CA 0.442 63.603 63.100 0.102 0.000 0.787 146 P CB 0.129 31.884 31.700 0.092 0.000 0.788 147 A N 0.834 123.709 122.820 0.091 0.000 3.317 147 A HA 0.459 4.779 4.320 -0.001 0.000 0.307 147 A C -2.508 175.122 177.584 0.077 0.000 1.003 147 A CA -1.277 50.813 52.037 0.087 0.000 0.882 147 A CB 0.101 19.148 19.000 0.078 0.000 1.136 147 A HN 0.034 nan 8.150 nan 0.000 0.488 148 P HA 0.268 nan 4.420 nan 0.000 0.271 148 P C -0.718 176.636 177.300 0.089 0.000 1.216 148 P CA 0.031 63.170 63.100 0.066 0.000 0.776 148 P CB 0.808 32.529 31.700 0.036 0.000 0.881 149 R N 1.592 122.162 120.500 0.117 0.000 2.352 149 R HA 0.447 4.787 4.340 -0.001 0.000 0.304 149 R C -0.737 175.749 176.300 0.309 0.000 1.104 149 R CA -0.806 55.422 56.100 0.214 0.000 0.991 149 R CB 1.657 32.040 30.300 0.138 0.000 1.140 149 R HN 0.305 nan 8.270 nan 0.000 0.540 150 V N 3.457 123.498 119.914 0.211 0.000 2.472 150 V HA 0.353 4.473 4.120 -0.001 0.000 0.290 150 V C 0.068 176.084 176.094 -0.129 0.000 1.037 150 V CA -0.848 61.498 62.300 0.077 0.000 0.908 150 V CB 1.503 33.322 31.823 -0.006 0.000 0.985 150 V HN 0.668 nan 8.190 nan 0.000 0.454 151 R N 5.255 125.561 120.500 -0.324 0.000 2.449 151 R HA 0.230 4.570 4.340 -0.001 0.000 0.296 151 R C -0.182 175.925 176.300 -0.322 0.000 1.047 151 R CA -0.353 55.372 56.100 -0.624 0.000 1.018 151 R CB 0.375 30.434 30.300 -0.402 0.000 0.962 151 R HN 0.847 nan 8.270 nan 0.000 0.428 152 L N 5.285 126.327 121.223 -0.302 0.000 2.615 152 L HA -0.015 4.325 4.340 -0.001 0.000 0.284 152 L C 1.177 177.971 176.870 -0.126 0.000 1.237 152 L CA 1.826 56.561 54.840 -0.175 0.000 0.905 152 L CB 0.361 42.338 42.059 -0.137 0.000 1.149 152 L HN 1.098 nan 8.230 nan 0.000 0.499 153 G N 2.236 110.980 108.800 -0.094 0.000 2.199 153 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.254 153 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.254 153 G C 0.181 175.048 174.900 -0.056 0.000 0.982 153 G CA 0.308 45.369 45.100 -0.066 0.000 0.632 153 G HN 0.625 nan 8.290 nan 0.000 0.529 154 Q N 0.813 120.572 119.800 -0.070 0.000 2.199 154 Q HA 0.582 4.921 4.340 -0.001 0.000 0.232 154 Q C -0.454 175.534 176.000 -0.021 0.000 0.969 154 Q CA -0.415 55.360 55.803 -0.047 0.000 0.925 154 Q CB 0.696 29.392 28.738 -0.069 0.000 1.198 154 Q HN 0.253 nan 8.270 nan 0.000 0.494 155 D N 0.373 120.782 120.400 0.015 0.000 2.256 155 D HA 0.512 5.151 4.640 -0.001 0.000 0.250 155 D C -1.157 175.149 176.300 0.010 0.000 1.093 155 D CA -0.014 54.028 54.000 0.070 0.000 0.882 155 D CB 1.203 42.125 40.800 0.204 0.000 1.185 155 D HN 0.520 nan 8.370 nan 0.000 0.437 156 A N 2.248 125.076 122.820 0.012 0.000 2.304 156 A HA 0.572 4.891 4.320 -0.001 0.000 0.323 156 A C -0.948 176.611 177.584 -0.042 0.000 1.195 156 A CA -0.581 51.433 52.037 -0.037 0.000 0.826 156 A CB 0.439 19.395 19.000 -0.074 0.000 1.184 156 A HN 0.435 nan 8.150 nan 0.000 0.496 157 L N 3.379 124.562 121.223 -0.067 0.000 2.337 157 L HA 0.340 4.680 4.340 -0.001 0.000 0.269 157 L C -0.543 176.318 176.870 -0.015 0.000 1.018 157 L CA 0.253 55.056 54.840 -0.061 0.000 0.876 157 L CB 1.167 43.150 42.059 -0.127 0.000 1.236 157 L HN 0.633 nan 8.230 nan 0.000 0.436 158 L N 3.314 124.529 121.223 -0.014 0.000 2.363 158 L HA 0.218 4.557 4.340 -0.001 0.000 0.286 158 L C 0.618 177.587 176.870 0.164 0.000 1.106 158 L CA -0.282 54.575 54.840 0.027 0.000 0.859 158 L CB 0.284 42.268 42.059 -0.125 0.000 1.223 158 L HN 0.564 nan 8.230 nan 0.000 0.446 159 D N 4.264 124.768 120.400 0.174 0.000 2.455 159 D HA 0.168 4.808 4.640 -0.001 0.000 0.241 159 D C -1.038 175.444 176.300 0.303 0.000 1.138 159 D CA 0.072 54.199 54.000 0.211 0.000 0.877 159 D CB 1.474 42.371 40.800 0.162 0.000 1.187 159 D HN 0.253 nan 8.370 nan 0.000 0.451 160 L N 2.792 124.208 121.223 0.322 0.000 2.543 160 L HA 0.289 4.629 4.340 -0.001 0.000 0.265 160 L C -1.142 175.897 176.870 0.282 0.000 0.945 160 L CA -0.239 54.793 54.840 0.320 0.000 0.869 160 L CB 1.896 44.236 42.059 0.469 0.000 1.294 160 L HN 0.486 nan 8.230 nan 0.000 0.405 161 S N 2.818 118.653 115.700 0.226 0.000 2.595 161 S HA 0.958 5.427 4.470 -0.001 0.000 0.281 161 S C -0.832 173.941 174.600 0.288 0.000 1.117 161 S CA -0.621 57.712 58.200 0.220 0.000 0.873 161 S CB 2.084 65.357 63.200 0.122 0.000 1.108 161 S HN 0.773 nan 8.310 nan 0.000 0.477 162 F N -1.746 118.199 119.950 -0.008 0.000 2.711 162 F HA 0.976 5.503 4.527 -0.001 0.000 0.313 162 F C -1.055 174.790 175.800 0.075 0.000 1.141 162 F CA -1.156 56.838 58.000 -0.010 0.000 0.941 162 F CB 1.095 40.036 39.000 -0.098 0.000 1.349 162 F HN 0.991 nan 8.300 nan 0.000 0.464 163 A N 1.372 124.327 122.820 0.224 0.000 2.488 163 A HA 0.712 5.032 4.320 -0.001 0.000 0.298 163 A C -2.635 175.208 177.584 0.431 0.000 1.044 163 A CA -0.662 51.509 52.037 0.223 0.000 0.693 163 A CB 1.312 20.392 19.000 0.133 0.000 1.272 163 A HN 1.212 nan 8.150 nan 0.000 0.402 164 Y N 1.997 122.511 120.300 0.356 0.000 2.406 164 Y HA 0.716 5.266 4.550 -0.001 0.000 0.340 164 Y C -0.932 175.127 175.900 0.266 0.000 0.975 164 Y CA -1.416 56.912 58.100 0.380 0.000 1.056 164 Y CB 2.190 41.011 38.460 0.603 0.000 1.210 164 Y HN 0.697 nan 8.280 nan 0.000 0.448 165 M N 10.291 129.667 119.600 -0.373 0.000 2.072 165 M HA 0.531 5.011 4.480 -0.001 0.000 0.331 165 M C -2.853 172.989 176.300 -0.763 0.000 1.004 165 M CA -2.825 52.198 55.300 -0.461 0.000 0.952 165 M CB 1.133 33.583 32.600 -0.250 0.000 1.511 165 M HN 0.398 nan 8.290 nan 0.000 0.422 166 P HA 0.372 nan 4.420 nan 0.000 0.276 166 P C -2.744 174.501 177.300 -0.092 0.000 1.244 166 P CA -1.303 61.607 63.100 -0.317 0.000 0.801 166 P CB -0.489 31.248 31.700 0.061 0.000 1.006 167 P HA 0.113 nan 4.420 nan 0.000 0.266 167 P C 0.437 177.750 177.300 0.021 0.000 1.215 167 P CA 0.440 63.573 63.100 0.056 0.000 0.763 167 P CB -0.314 31.459 31.700 0.121 0.000 0.806 168 T N 0.015 114.552 114.554 -0.029 0.000 3.439 168 T HA -0.010 4.340 4.350 -0.001 0.000 0.251 168 T C 1.247 175.910 174.700 -0.061 0.000 1.108 168 T CA 0.714 62.773 62.100 -0.069 0.000 0.982 168 T CB -0.507 68.306 68.868 -0.092 0.000 1.024 168 T HN 0.450 nan 8.240 nan 0.000 0.573 169 S N -0.379 115.311 115.700 -0.017 0.000 2.523 169 S HA 0.220 4.690 4.470 -0.001 0.000 0.217 169 S C 0.181 174.788 174.600 0.011 0.000 0.996 169 S CA -0.506 57.687 58.200 -0.010 0.000 0.921 169 S CB 0.552 63.757 63.200 0.008 0.000 0.829 169 S HN 0.322 nan 8.310 nan 0.000 0.495 178 G N 0.259 108.968 108.800 -0.152 0.000 2.489 178 G HA2 0.508 4.468 3.960 -0.001 0.000 0.271 178 G HA3 0.508 4.468 3.960 -0.001 0.000 0.271 178 G C -2.306 172.294 174.900 -0.501 0.000 1.427 178 G CA -0.829 44.173 45.100 -0.163 0.000 1.057 178 G HN 0.516 nan 8.290 nan 0.000 0.532 179 P HA 0.183 nan 4.420 nan 0.000 0.268 179 P C -2.418 174.295 177.300 -0.979 0.000 1.205 179 P CA -0.668 61.031 63.100 -2.335 0.000 0.771 179 P CB 0.878 30.682 31.700 -3.161 0.000 0.858 180 P HA 0.366 nan 4.420 nan 0.000 0.276 180 P C -2.685 174.829 177.300 0.357 0.000 1.261 180 P CA -2.221 60.875 63.100 -0.007 0.000 0.800 180 P CB -0.762 30.997 31.700 0.098 0.000 1.066 181 P HA 0.186 nan 4.420 nan 0.000 0.269 181 P C -0.715 176.791 177.300 0.343 0.000 1.215 181 P CA 0.487 63.742 63.100 0.260 0.000 0.780 181 P CB 0.081 31.840 31.700 0.098 0.000 0.898 182 F N -1.031 118.983 119.950 0.107 0.000 2.664 182 F HA 0.856 5.382 4.527 -0.001 0.000 0.317 182 F C -0.439 175.347 175.800 -0.023 0.000 1.108 182 F CA -1.216 56.790 58.000 0.009 0.000 0.957 182 F CB 0.846 39.784 39.000 -0.103 0.000 1.365 182 F HN 0.341 nan 8.300 nan 0.000 0.475 183 G N 0.778 109.642 108.800 0.107 0.000 2.448 183 G HA2 0.665 4.625 3.960 -0.001 0.000 0.324 183 G HA3 0.665 4.625 3.960 -0.001 0.000 0.324 183 G C -2.524 172.495 174.900 0.197 0.000 1.203 183 G CA -0.999 44.144 45.100 0.071 0.000 0.954 183 G HN 0.940 nan 8.290 nan 0.000 0.480 184 L N 0.278 121.591 121.223 0.150 0.000 2.431 184 L HA 0.787 5.127 4.340 -0.001 0.000 0.266 184 L C -0.730 176.226 176.870 0.143 0.000 0.978 184 L CA -0.693 54.224 54.840 0.128 0.000 0.822 184 L CB 2.277 44.425 42.059 0.148 0.000 1.310 184 L HN 0.605 nan 8.230 nan 0.000 0.409 185 E N 3.915 124.153 120.200 0.063 0.000 2.290 185 E HA 0.344 4.694 4.350 -0.001 0.000 0.274 185 E C -2.216 174.296 176.600 -0.147 0.000 0.889 185 E CA -0.518 55.910 56.400 0.047 0.000 0.760 185 E CB 1.295 31.163 29.700 0.279 0.000 1.206 185 E HN 0.688 nan 8.360 nan 0.000 0.419 186 W N 3.887 125.129 121.300 -0.096 0.000 2.785 186 W HA 0.479 5.138 4.660 -0.000 0.000 0.333 186 W C -0.117 176.282 176.519 -0.200 0.000 1.062 186 W CA -0.595 56.607 57.345 -0.238 0.000 1.233 186 W CB 1.676 30.769 29.460 -0.613 0.000 1.413 186 W HN 0.493 nan 8.180 nan 0.000 0.489 187 R N 1.662 122.209 120.500 0.077 0.000 2.739 187 R HA 0.736 5.076 4.340 -0.001 0.000 0.271 187 R C -1.430 174.794 176.300 -0.127 0.000 1.010 187 R CA -1.313 54.790 56.100 0.005 0.000 0.897 187 R CB 2.000 32.305 30.300 0.009 0.000 1.236 187 R HN 0.527 nan 8.270 nan 0.000 0.466 188 R N 1.882 122.251 120.500 -0.219 0.000 2.338 188 R HA 0.252 4.592 4.340 -0.001 0.000 0.317 188 R C -1.171 175.060 176.300 -0.115 0.000 0.968 188 R CA -0.475 55.341 56.100 -0.474 0.000 0.849 188 R CB 1.813 31.749 30.300 -0.608 0.000 1.128 188 R HN 0.771 nan 8.270 nan 0.000 0.448 189 Q N 2.172 121.923 119.800 -0.082 0.000 2.345 189 Q HA 0.273 4.613 4.340 -0.001 0.000 0.268 189 Q C -1.638 174.424 176.000 0.102 0.000 1.054 189 Q CA -0.792 55.033 55.803 0.036 0.000 0.835 189 Q CB 1.412 30.152 28.738 0.004 0.000 1.339 189 Q HN 0.625 nan 8.270 nan 0.000 0.447 190 H N 5.032 124.130 119.070 0.047 0.000 3.224 190 H HA 0.199 4.755 4.556 -0.001 0.000 0.331 190 H C -0.990 174.368 175.328 0.049 0.000 1.002 190 H CA -0.245 55.834 56.048 0.051 0.000 1.473 190 H CB 0.457 30.259 29.762 0.066 0.000 1.830 190 H HN 0.841 nan 8.280 nan 0.000 0.485 191 L N 4.551 125.761 121.223 -0.023 0.000 3.664 191 L HA -0.286 4.054 4.340 -0.001 0.000 0.560 191 L C 1.316 178.222 176.870 0.059 0.000 1.285 191 L CA 0.963 55.832 54.840 0.049 0.000 0.864 191 L CB -1.399 40.771 42.059 0.185 0.000 1.512 191 L HN 1.062 nan 8.230 nan 0.000 0.853 192 G N 0.202 109.015 108.800 0.021 0.000 2.216 192 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.269 192 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.269 192 G C 0.434 175.342 174.900 0.013 0.000 0.981 192 G CA 1.174 46.281 45.100 0.013 0.000 0.658 192 G HN 0.547 nan 8.290 nan 0.000 0.539 193 K N 0.858 121.284 120.400 0.044 0.000 2.292 193 K HA 0.538 4.857 4.320 -0.001 0.000 0.270 193 K C 0.544 177.138 176.600 -0.010 0.000 1.062 193 K CA 0.151 56.441 56.287 0.006 0.000 0.916 193 K CB 1.496 34.035 32.500 0.065 0.000 1.166 193 K HN 0.258 nan 8.250 nan 0.000 0.458 194 G N 2.044 110.781 108.800 -0.104 0.000 2.356 194 G HA2 0.306 4.266 3.960 -0.001 0.000 0.322 194 G HA3 0.306 4.266 3.960 -0.001 0.000 0.322 194 G C -1.158 173.597 174.900 -0.241 0.000 1.125 194 G CA -0.467 44.586 45.100 -0.078 0.000 0.885 194 G HN 0.571 nan 8.290 nan 0.000 0.467 195 H N 1.553 120.616 119.070 -0.011 0.000 2.587 195 H HA 0.235 4.791 4.556 -0.001 0.000 0.325 195 H C -0.056 175.265 175.328 -0.012 0.000 1.012 195 H CA -0.875 55.169 56.048 -0.005 0.000 1.213 195 H CB 1.957 31.718 29.762 -0.001 0.000 1.431 195 H HN 0.345 nan 8.280 nan 0.000 0.492 196 L N 5.041 126.301 121.223 0.063 0.000 2.500 196 L HA 0.026 4.366 4.340 -0.001 0.000 0.272 196 L C 0.004 176.904 176.870 0.050 0.000 1.149 196 L CA 0.643 55.496 54.840 0.021 0.000 0.897 196 L CB -0.431 41.598 42.059 -0.049 0.000 1.178 196 L HN 0.871 nan 8.230 nan 0.000 0.473 197 L N 5.953 127.230 121.223 0.090 0.000 2.357 197 L HA 0.254 4.594 4.340 -0.001 0.000 0.211 197 L C 0.489 177.459 176.870 0.167 0.000 1.075 197 L CA 0.293 55.233 54.840 0.168 0.000 0.830 197 L CB 0.175 42.427 42.059 0.322 0.000 0.996 197 L HN 0.530 nan 8.230 nan 0.000 0.467 198 L N -0.347 120.969 121.223 0.156 0.000 2.506 198 L HA 0.800 5.140 4.340 -0.001 0.000 0.257 198 L C -1.882 174.962 176.870 -0.042 0.000 0.964 198 L CA -0.446 54.462 54.840 0.114 0.000 0.836 198 L CB 2.307 44.577 42.059 0.352 0.000 1.384 198 L HN -0.114 nan 8.230 nan 0.000 0.410 199 A N 3.097 125.800 122.820 -0.196 0.000 2.547 199 A HA 1.009 5.328 4.320 -0.001 0.000 0.297 199 A C -1.493 175.926 177.584 -0.275 0.000 1.056 199 A CA 0.170 51.960 52.037 -0.412 0.000 0.688 199 A CB 1.884 20.211 19.000 -1.122 0.000 1.282 199 A HN 1.364 nan 8.150 nan 0.000 0.400 200 A N 0.411 123.134 122.820 -0.161 0.000 2.608 200 A HA 0.881 5.201 4.320 -0.001 0.000 0.292 200 A C -0.398 177.125 177.584 -0.101 0.000 1.066 200 A CA 0.153 52.122 52.037 -0.114 0.000 0.676 200 A CB 1.169 20.114 19.000 -0.092 0.000 1.277 200 A HN 2.178 nan 8.150 nan 0.000 0.413 201 T N -0.126 114.337 114.554 -0.153 0.000 3.583 201 T HA 0.524 4.874 4.350 -0.001 0.000 0.266 201 T C -2.920 171.596 174.700 -0.308 0.000 1.296 201 T CA -1.268 60.692 62.100 -0.234 0.000 1.668 201 T CB 0.480 69.309 68.868 -0.065 0.000 0.832 201 T HN 0.460 nan 8.240 nan 0.000 0.649 202 P HA 0.274 nan 4.420 nan 0.000 0.261 202 P C 1.149 178.343 177.300 -0.177 0.000 1.183 202 P CA 1.218 64.134 63.100 -0.308 0.000 0.761 202 P CB 0.356 31.854 31.700 -0.337 0.000 0.785 203 G N 1.709 110.484 108.800 -0.042 0.000 2.179 203 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.220 203 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.220 203 G C -0.463 174.442 174.900 0.009 0.000 0.990 203 G CA -0.076 45.041 45.100 0.029 0.000 0.646 203 G HN 0.604 nan 8.290 nan 0.000 0.517 204 L N 1.797 123.005 121.223 -0.024 0.000 2.529 204 L HA 0.505 4.845 4.340 -0.001 0.000 0.260 204 L C -0.546 176.312 176.870 -0.019 0.000 0.997 204 L CA -1.165 53.666 54.840 -0.014 0.000 0.885 204 L CB 0.964 43.013 42.059 -0.016 0.000 1.185 204 L HN 0.120 nan 8.230 nan 0.000 0.442 205 N N 3.212 121.906 118.700 -0.011 0.000 2.434 205 N HA 0.447 5.187 4.740 -0.001 0.000 0.268 205 N C 0.144 175.650 175.510 -0.006 0.000 1.256 205 N CA 0.704 53.748 53.050 -0.011 0.000 0.914 205 N CB 1.200 39.683 38.487 -0.007 0.000 1.088 205 N HN 0.794 nan 8.380 nan 0.000 0.478 206 G N 0.728 109.525 108.800 -0.005 0.000 2.687 206 G HA2 0.266 4.226 3.960 -0.001 0.000 0.291 206 G HA3 0.266 4.226 3.960 -0.001 0.000 0.291 206 G C -1.297 173.608 174.900 0.009 0.000 1.420 206 G CA -0.448 44.656 45.100 0.008 0.000 0.796 206 G HN 0.344 nan 8.290 nan 0.000 0.485 207 Q N 0.865 120.678 119.800 0.022 0.000 2.389 207 Q HA 0.475 4.815 4.340 -0.001 0.000 0.244 207 Q C 0.068 176.082 176.000 0.023 0.000 1.056 207 Q CA -0.126 55.686 55.803 0.014 0.000 0.908 207 Q CB 0.488 29.236 28.738 0.018 0.000 1.273 207 Q HN 0.317 nan 8.270 nan 0.000 0.471 208 M N 4.241 123.825 119.600 -0.028 0.000 2.314 208 M HA 0.466 4.945 4.480 -0.001 0.000 0.342 208 M C -1.869 174.355 176.300 -0.128 0.000 1.171 208 M CA -2.388 52.851 55.300 -0.102 0.000 1.098 208 M CB 0.360 32.868 32.600 -0.152 0.000 1.559 208 M HN 0.427 nan 8.290 nan 0.000 0.459 209 P HA 0.195 nan 4.420 nan 0.000 0.269 209 P C -0.847 176.365 177.300 -0.147 0.000 1.215 209 P CA -0.238 62.760 63.100 -0.171 0.000 0.780 209 P CB 0.393 31.927 31.700 -0.276 0.000 0.898 210 A N 2.403 125.168 122.820 -0.092 0.000 2.520 210 A HA 0.434 4.753 4.320 -0.001 0.000 0.245 210 A C 0.575 178.115 177.584 -0.074 0.000 1.072 210 A CA 0.000 51.992 52.037 -0.075 0.000 0.761 210 A CB -0.499 18.471 19.000 -0.050 0.000 1.004 210 A HN 0.627 nan 8.150 nan 0.000 0.499 211 A N 3.192 125.966 122.820 -0.076 0.000 2.477 211 A HA 0.498 4.818 4.320 -0.001 0.000 0.246 211 A C 0.338 177.897 177.584 -0.041 0.000 1.078 211 A CA -0.132 51.869 52.037 -0.060 0.000 0.770 211 A CB 0.134 19.082 19.000 -0.088 0.000 1.011 211 A HN 0.833 nan 8.150 nan 0.000 0.494 212 Q N 0.547 120.346 119.800 -0.002 0.000 2.297 212 Q HA 0.351 4.691 4.340 -0.001 0.000 0.268 212 Q C -0.097 175.905 176.000 0.003 0.000 1.045 212 Q CA -0.478 55.333 55.803 0.013 0.000 0.861 212 Q CB 1.141 29.913 28.738 0.055 0.000 1.344 212 Q HN 0.877 nan 8.270 nan 0.000 0.452 213 E N 0.352 120.557 120.200 0.007 0.000 2.539 213 E HA -0.299 4.051 4.350 -0.001 0.000 0.253 213 E C 0.426 176.974 176.600 -0.087 0.000 1.145 213 E CA 0.470 56.870 56.400 -0.000 0.000 0.738 213 E CB -1.632 28.091 29.700 0.038 0.000 1.308 213 E HN 1.081 nan 8.360 nan 0.000 0.409 214 G N -1.217 107.507 108.800 -0.126 0.000 2.168 214 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.263 214 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.263 214 G C 0.431 175.125 174.900 -0.343 0.000 0.977 214 G CA 0.426 45.397 45.100 -0.216 0.000 0.659 214 G HN 1.003 nan 8.290 nan 0.000 0.533 215 A N -0.841 121.782 122.820 -0.328 0.000 2.425 215 A HA 0.788 5.108 4.320 -0.001 0.000 0.242 215 A C 0.810 178.107 177.584 -0.478 0.000 1.077 215 A CA 0.748 52.467 52.037 -0.530 0.000 0.781 215 A CB 0.838 19.499 19.000 -0.566 0.000 1.020 215 A HN 2.034 nan 8.150 nan 0.000 0.494 216 V N -2.654 116.906 119.914 -0.590 0.000 3.202 216 V HA 1.000 5.119 4.120 -0.001 0.000 0.306 216 V C -0.322 175.563 176.094 -0.349 0.000 1.283 216 V CA -0.346 61.701 62.300 -0.422 0.000 1.065 216 V CB 1.263 32.787 31.823 -0.498 0.000 1.079 216 V HN 2.233 nan 8.190 nan 0.000 0.448 217 A N 0.335 123.005 122.820 -0.250 0.000 2.549 217 A HA 0.858 5.178 4.320 -0.001 0.000 0.297 217 A C -1.450 176.021 177.584 -0.189 0.000 1.061 217 A CA -0.446 51.530 52.037 -0.100 0.000 0.690 217 A CB 1.536 20.656 19.000 0.199 0.000 1.287 217 A HN 0.988 nan 8.150 nan 0.000 0.402 218 F N 1.709 121.782 119.950 0.206 0.000 2.541 218 F HA 0.500 5.027 4.527 -0.001 0.000 0.351 218 F C 1.044 176.981 175.800 0.230 0.000 1.209 218 F CA 0.122 58.234 58.000 0.187 0.000 1.277 218 F CB 0.799 39.894 39.000 0.157 0.000 1.632 218 F HN 0.631 nan 8.300 nan 0.000 0.619 219 A N 2.512 125.515 122.820 0.306 0.000 2.260 219 A HA 0.875 5.195 4.320 -0.001 0.000 0.312 219 A C -0.134 177.680 177.584 0.383 0.000 1.321 219 A CA -0.038 52.224 52.037 0.375 0.000 0.928 219 A CB 0.088 19.256 19.000 0.280 0.000 1.158 219 A HN 0.735 nan 8.150 nan 0.000 0.542 220 A N 2.084 125.165 122.820 0.436 0.000 2.567 220 A HA 0.600 4.920 4.320 -0.001 0.000 0.291 220 A C -1.470 176.208 177.584 0.157 0.000 1.048 220 A CA -0.705 51.536 52.037 0.340 0.000 0.661 220 A CB 0.292 19.455 19.000 0.272 0.000 1.288 220 A HN 0.824 nan 8.150 nan 0.000 0.424 221 W N 1.089 122.517 121.300 0.213 0.000 2.218 221 W HA 0.334 4.993 4.660 -0.001 0.000 0.326 221 W C 0.409 176.935 176.519 0.011 0.000 1.276 221 W CA -0.038 57.302 57.345 -0.008 0.000 1.210 221 W CB 0.771 30.208 29.460 -0.038 0.000 1.143 221 W HN 0.816 nan 8.180 nan 0.000 0.563 222 D N 0.968 121.515 120.400 0.245 0.000 2.218 222 D HA -0.141 4.499 4.640 -0.001 0.000 0.204 222 D C 0.356 176.759 176.300 0.172 0.000 0.976 222 D CA 1.606 55.703 54.000 0.162 0.000 0.853 222 D CB 0.025 40.889 40.800 0.107 0.000 0.939 222 D HN 0.493 nan 8.370 nan 0.000 0.481 223 D N -0.737 119.790 120.400 0.212 0.000 2.665 223 D HA 0.048 4.688 4.640 -0.001 0.000 0.287 223 D C -1.173 175.211 176.300 0.141 0.000 1.266 223 D CA -0.530 53.569 54.000 0.166 0.000 0.830 223 D CB 1.321 42.213 40.800 0.153 0.000 1.356 223 D HN -0.130 nan 8.370 nan 0.000 0.437 224 D N -0.314 120.146 120.400 0.100 0.000 2.980 224 D HA 0.107 4.746 4.640 -0.001 0.000 0.333 224 D C -0.397 175.968 176.300 0.109 0.000 1.356 224 D CA -0.334 53.684 54.000 0.031 0.000 0.847 224 D CB 0.320 41.116 40.800 -0.005 0.000 1.122 224 D HN 0.170 nan 8.370 nan 0.000 0.475 225 E N 1.300 121.643 120.200 0.238 0.000 2.392 225 E HA 0.081 4.431 4.350 -0.001 0.000 0.264 225 E C -1.417 175.309 176.600 0.210 0.000 1.024 225 E CA -1.498 55.010 56.400 0.180 0.000 0.903 225 E CB 1.003 30.777 29.700 0.124 0.000 0.963 225 E HN 0.051 nan 8.360 nan 0.000 0.432 226 P HA -0.196 nan 4.420 nan 0.000 0.216 226 P C 0.627 177.725 177.300 -0.337 0.000 1.167 226 P CA 1.919 64.874 63.100 -0.241 0.000 0.933 226 P CB 0.032 31.557 31.700 -0.291 0.000 0.793 227 W N -2.240 119.061 121.300 0.002 0.000 2.940 227 W HA 0.437 5.096 4.660 -0.000 0.000 0.297 227 W C 1.051 177.175 176.519 -0.660 0.000 1.149 227 W CA 0.664 57.926 57.345 -0.138 0.000 1.564 227 W CB 0.184 29.565 29.460 -0.131 0.000 1.010 227 W HN 0.083 nan 8.180 nan 0.000 0.578 228 G N 1.334 109.622 108.800 -0.854 0.000 2.685 228 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.387 228 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.387 228 G C -2.158 172.292 174.900 -0.750 0.000 1.324 228 G CA -0.943 43.145 45.100 -1.686 0.000 0.878 228 G HN -0.121 nan 8.290 nan 0.000 0.527 229 P HA 0.355 nan 4.420 nan 0.000 0.272 229 P C -0.388 176.550 177.300 -0.603 0.000 1.254 229 P CA 0.122 62.847 63.100 -0.625 0.000 0.795 229 P CB 0.475 32.007 31.700 -0.281 0.000 1.022 230 W N -1.335 119.942 121.300 -0.038 0.000 3.031 230 W HA 0.352 5.011 4.660 -0.000 0.000 0.337 230 W C -0.192 176.380 176.519 0.088 0.000 1.187 230 W CA -0.389 56.937 57.345 -0.032 0.000 1.166 230 W CB 1.871 31.159 29.460 -0.287 0.000 1.437 230 W HN 0.330 nan 8.180 nan 0.000 0.551 231 T N -0.838 113.901 114.554 0.308 0.000 2.908 231 T HA 0.894 5.243 4.350 -0.001 0.000 0.290 231 T C -0.332 174.304 174.700 -0.107 0.000 1.034 231 T CA -0.541 61.588 62.100 0.047 0.000 1.010 231 T CB 2.581 71.460 68.868 0.019 0.000 1.068 231 T HN 0.656 nan 8.240 nan 0.000 0.481 232 G N 0.792 109.162 108.800 -0.717 0.000 2.708 232 G HA2 0.571 4.531 3.960 -0.001 0.000 0.289 232 G HA3 0.571 4.531 3.960 -0.001 0.000 0.289 232 G C -1.713 172.894 174.900 -0.487 0.000 1.416 232 G CA -0.788 43.784 45.100 -0.881 0.000 0.829 232 G HN 0.817 nan 8.290 nan 0.000 0.480 233 N N -1.013 117.667 118.700 -0.033 0.000 2.335 233 N HA 0.660 5.399 4.740 -0.001 0.000 0.304 233 N C 0.200 175.974 175.510 0.439 0.000 1.135 233 N CA 0.061 53.246 53.050 0.226 0.000 0.817 233 N CB 2.128 40.735 38.487 0.200 0.000 1.294 233 N HN 0.889 nan 8.380 nan 0.000 0.497 234 G N -0.037 109.036 108.800 0.454 0.000 5.284 234 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.236 234 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.236 234 G C -0.074 175.201 174.900 0.625 0.000 0.870 234 G CA -0.157 45.248 45.100 0.510 0.000 0.724 234 G HN 0.648 nan 8.290 nan 0.000 0.336 235 T N -1.070 113.797 114.554 0.522 0.000 2.928 235 T HA 0.463 4.812 4.350 -0.001 0.000 0.305 235 T C -0.202 174.739 174.700 0.403 0.000 1.035 235 T CA -0.328 62.058 62.100 0.476 0.000 1.145 235 T CB 1.286 70.355 68.868 0.336 0.000 0.963 235 T HN 0.112 nan 8.240 nan 0.000 0.545 236 F N 4.621 124.484 119.950 -0.145 0.000 2.410 236 F HA 0.528 5.054 4.527 -0.001 0.000 0.348 236 F C -0.590 175.115 175.800 -0.158 0.000 1.106 236 F CA -1.429 56.254 58.000 -0.528 0.000 1.163 236 F CB 0.907 38.885 39.000 -1.704 0.000 1.129 236 F HN 0.752 nan 8.300 nan 0.000 0.516 237 W N 9.627 130.522 121.300 -0.674 0.000 2.336 237 W HA 0.460 5.119 4.660 -0.001 0.000 0.315 237 W C -2.185 173.903 176.519 -0.719 0.000 1.016 237 W CA -1.817 55.236 57.345 -0.487 0.000 1.318 237 W CB 1.080 30.367 29.460 -0.289 0.000 1.247 237 W HN 0.379 nan 8.180 nan 0.000 0.414 238 L N 10.546 131.638 121.223 -0.218 0.000 2.276 238 L HA 0.558 4.898 4.340 -0.001 0.000 0.286 238 L C -1.953 174.872 176.870 -0.074 0.000 1.024 238 L CA -2.309 52.353 54.840 -0.298 0.000 0.826 238 L CB 1.161 43.098 42.059 -0.203 0.000 1.211 238 L HN 0.179 nan 8.230 nan 0.000 0.422 239 P HA 0.127 nan 4.420 nan 0.000 0.275 239 P C -0.598 176.673 177.300 -0.047 0.000 1.227 239 P CA -0.324 62.734 63.100 -0.070 0.000 0.781 239 P CB 0.528 32.109 31.700 -0.197 0.000 0.906 240 R N 0.092 120.585 120.500 -0.012 0.000 3.109 240 R HA -0.120 4.220 4.340 -0.001 0.000 0.241 240 R C -0.006 176.272 176.300 -0.036 0.000 0.882 240 R CA 0.023 56.109 56.100 -0.022 0.000 0.604 240 R CB -2.199 28.090 30.300 -0.019 0.000 1.040 240 R HN 0.316 nan 8.270 nan 0.000 0.480 241 V N 1.023 120.902 119.914 -0.057 0.000 2.720 241 V HA -0.114 4.005 4.120 -0.001 0.000 0.307 241 V C 0.939 176.977 176.094 -0.092 0.000 1.071 241 V CA 0.708 62.953 62.300 -0.093 0.000 1.199 241 V CB 0.964 32.729 31.823 -0.097 0.000 0.900 241 V HN 0.397 nan 8.190 nan 0.000 0.494 242 Q N 4.973 124.704 119.800 -0.115 0.000 2.416 242 Q HA 0.406 4.746 4.340 -0.001 0.000 0.279 242 Q C -2.000 173.921 176.000 -0.132 0.000 1.101 242 Q CA -1.665 54.112 55.803 -0.043 0.000 0.830 242 Q CB 2.360 31.245 28.738 0.245 0.000 1.402 242 Q HN 0.327 nan 8.270 nan 0.000 0.445 243 P HA -0.141 nan 4.420 nan 0.000 0.219 243 P C 0.388 177.693 177.300 0.009 0.000 1.146 243 P CA 1.088 64.030 63.100 -0.263 0.000 0.808 243 P CB 0.002 31.372 31.700 -0.549 0.000 0.779 244 F N -0.637 119.282 119.950 -0.051 0.000 2.604 244 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 244 F C 1.438 177.247 175.800 0.015 0.000 1.131 244 F CA 0.721 58.713 58.000 -0.014 0.000 1.457 244 F CB -1.412 37.566 39.000 -0.037 0.000 1.095 244 F HN -0.092 nan 8.300 nan 0.000 0.574 245 Q N 0.709 120.115 119.800 -0.658 0.000 2.360 245 Q HA 0.087 4.426 4.340 -0.001 0.000 0.202 245 Q C 0.250 176.248 176.000 -0.004 0.000 0.915 245 Q CA -0.128 55.397 55.803 -0.464 0.000 0.943 245 Q CB 0.123 28.540 28.738 -0.535 0.000 1.064 245 Q HN 0.547 nan 8.270 nan 0.000 0.511 246 E N -0.057 120.155 120.200 0.020 0.000 2.404 246 E HA 0.292 4.642 4.350 -0.001 0.000 0.261 246 E C 0.204 176.934 176.600 0.217 0.000 1.074 246 E CA 0.480 56.968 56.400 0.147 0.000 0.917 246 E CB 0.501 30.295 29.700 0.156 0.000 0.965 246 E HN 0.286 nan 8.360 nan 0.000 0.433 247 G N 1.462 110.425 108.800 0.272 0.000 2.270 247 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.268 247 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.268 247 G C -0.967 174.101 174.900 0.281 0.000 1.312 247 G CA -0.545 44.699 45.100 0.240 0.000 1.050 247 G HN 0.492 nan 8.290 nan 0.000 0.474 248 T N 1.104 115.748 114.554 0.151 0.000 2.749 248 T HA 0.573 4.922 4.350 -0.001 0.000 0.295 248 T C -0.900 173.835 174.700 0.058 0.000 0.936 248 T CA 0.438 62.624 62.100 0.143 0.000 1.060 248 T CB 0.619 69.522 68.868 0.060 0.000 0.904 248 T HN 0.407 nan 8.240 nan 0.000 0.500 249 Y N 2.510 122.872 120.300 0.103 0.000 2.352 249 Y HA 0.540 5.089 4.550 -0.001 0.000 0.339 249 Y C -0.404 175.553 175.900 0.096 0.000 0.992 249 Y CA -1.259 56.920 58.100 0.132 0.000 1.100 249 Y CB 1.244 39.828 38.460 0.207 0.000 1.192 249 Y HN 0.368 nan 8.280 nan 0.000 0.458 250 L N 3.379 124.665 121.223 0.105 0.000 2.322 250 L HA 0.794 5.133 4.340 -0.001 0.000 0.281 250 L C -0.356 176.354 176.870 -0.268 0.000 1.014 250 L CA -0.721 54.091 54.840 -0.046 0.000 0.815 250 L CB 1.754 43.781 42.059 -0.053 0.000 1.247 250 L HN 0.697 nan 8.230 nan 0.000 0.421 251 A N 1.765 124.261 122.820 -0.541 0.000 2.343 251 A HA 0.887 5.206 4.320 -0.001 0.000 0.316 251 A C -0.540 176.691 177.584 -0.588 0.000 1.104 251 A CA -0.408 50.999 52.037 -1.051 0.000 0.768 251 A CB 1.069 18.926 19.000 -1.904 0.000 1.213 251 A HN 0.600 nan 8.150 nan 0.000 0.456 252 T N 3.133 117.399 114.554 -0.481 0.000 2.861 252 T HA 0.520 4.869 4.350 -0.001 0.000 0.287 252 T C -0.548 173.953 174.700 -0.332 0.000 1.003 252 T CA -0.305 61.588 62.100 -0.345 0.000 0.977 252 T CB 0.900 69.625 68.868 -0.238 0.000 0.996 252 T HN 0.451 nan 8.240 nan 0.000 0.448 253 I N 2.909 123.241 120.570 -0.397 0.000 2.412 253 I HA 0.404 4.574 4.170 -0.001 0.000 0.296 253 I C -0.210 175.678 176.117 -0.382 0.000 0.987 253 I CA -0.664 60.399 61.300 -0.395 0.000 1.180 253 I CB 1.496 39.122 38.000 -0.623 0.000 1.340 253 I HN 0.706 nan 8.210 nan 0.000 0.455 254 H N 5.528 124.527 119.070 -0.117 0.000 2.495 254 H HA 0.721 5.277 4.556 -0.001 0.000 0.348 254 H C -0.818 174.489 175.328 -0.034 0.000 1.113 254 H CA -0.409 55.596 56.048 -0.072 0.000 1.195 254 H CB 2.247 31.969 29.762 -0.066 0.000 1.521 254 H HN 0.381 nan 8.280 nan 0.000 0.509 255 L N 3.679 124.943 121.223 0.068 0.000 2.371 255 L HA 0.423 4.763 4.340 -0.001 0.000 0.262 255 L C -2.394 174.520 176.870 0.073 0.000 1.006 255 L CA -2.388 52.467 54.840 0.025 0.000 0.818 255 L CB 2.471 44.439 42.059 -0.153 0.000 1.354 255 L HN 0.476 nan 8.230 nan 0.000 0.415 256 P HA -0.066 nan 4.420 nan 0.000 0.255 256 P C -0.813 176.663 177.300 0.294 0.000 1.161 256 P CA 0.793 63.994 63.100 0.169 0.000 0.768 256 P CB -0.103 31.753 31.700 0.260 0.000 0.746 257 Y N -0.311 120.000 120.300 0.017 0.000 4.893 257 Y HA -0.265 4.285 4.550 -0.001 0.000 0.257 257 Y C 0.470 176.384 175.900 0.023 0.000 0.958 257 Y CA 0.626 58.722 58.100 -0.005 0.000 1.897 257 Y CB -1.891 36.552 38.460 -0.027 0.000 1.352 257 Y HN 0.285 nan 8.280 nan 0.000 0.499 258 L N 1.847 123.158 121.223 0.147 0.000 2.362 258 L HA 0.635 4.974 4.340 -0.001 0.000 0.271 258 L C -0.348 176.521 176.870 -0.000 0.000 1.002 258 L CA -0.890 54.009 54.840 0.098 0.000 0.818 258 L CB 2.000 44.070 42.059 0.019 0.000 1.298 258 L HN 0.005 nan 8.230 nan 0.000 0.420 259 Q N 1.771 121.529 119.800 -0.071 0.000 2.340 259 Q HA 0.704 5.044 4.340 -0.001 0.000 0.276 259 Q C -1.221 174.624 176.000 -0.258 0.000 1.048 259 Q CA -0.809 54.845 55.803 -0.248 0.000 0.832 259 Q CB 2.830 31.361 28.738 -0.344 0.000 1.373 259 Q HN 0.692 nan 8.270 nan 0.000 0.409 260 G N 1.171 109.806 108.800 -0.275 0.000 2.590 260 G HA2 0.511 4.470 3.960 -0.001 0.000 0.310 260 G HA3 0.511 4.470 3.960 -0.001 0.000 0.310 260 G C -1.502 173.270 174.900 -0.213 0.000 1.347 260 G CA -0.426 44.549 45.100 -0.209 0.000 0.963 260 G HN 0.522 nan 8.290 nan 0.000 0.494 261 Q N 0.590 120.297 119.800 -0.156 0.000 2.356 261 Q HA 0.649 4.988 4.340 -0.001 0.000 0.270 261 Q C -0.764 175.168 176.000 -0.114 0.000 1.058 261 Q CA -0.830 54.878 55.803 -0.157 0.000 0.802 261 Q CB 2.677 31.340 28.738 -0.126 0.000 1.303 261 Q HN 0.674 nan 8.270 nan 0.000 0.444 262 V N -0.138 119.692 119.914 -0.140 0.000 2.864 262 V HA 0.761 4.881 4.120 -0.001 0.000 0.314 262 V C -0.598 175.461 176.094 -0.059 0.000 1.073 262 V CA -0.567 61.684 62.300 -0.081 0.000 0.956 262 V CB 2.013 33.794 31.823 -0.070 0.000 1.023 262 V HN 0.732 nan 8.190 nan 0.000 0.435 263 T N 4.700 119.259 114.554 0.009 0.000 2.797 263 T HA 0.794 5.144 4.350 -0.001 0.000 0.279 263 T C -0.781 173.984 174.700 0.109 0.000 0.991 263 T CA -0.192 61.942 62.100 0.056 0.000 0.979 263 T CB 1.169 70.069 68.868 0.054 0.000 0.943 263 T HN 0.570 nan 8.240 nan 0.000 0.444 264 L N 2.775 124.104 121.223 0.177 0.000 2.362 264 L HA 0.642 4.982 4.340 -0.001 0.000 0.271 264 L C -0.128 176.873 176.870 0.218 0.000 1.002 264 L CA -0.719 54.241 54.840 0.201 0.000 0.818 264 L CB 1.901 44.115 42.059 0.259 0.000 1.298 264 L HN 0.467 nan 8.230 nan 0.000 0.420 265 E N 2.149 122.451 120.200 0.170 0.000 2.149 265 E HA 0.445 4.794 4.350 -0.001 0.000 0.255 265 E C -1.516 175.176 176.600 0.153 0.000 0.888 265 E CA -0.532 55.972 56.400 0.172 0.000 0.742 265 E CB 1.058 30.837 29.700 0.131 0.000 1.164 265 E HN 0.389 nan 8.360 nan 0.000 0.422 266 L N 3.532 124.864 121.223 0.181 0.000 2.290 266 L HA 0.729 5.068 4.340 -0.001 0.000 0.284 266 L C -0.799 176.162 176.870 0.151 0.000 1.078 266 L CA -0.184 54.722 54.840 0.110 0.000 0.815 266 L CB 0.990 43.041 42.059 -0.013 0.000 1.162 266 L HN 0.539 nan 8.230 nan 0.000 0.435 267 A N 5.203 128.112 122.820 0.148 0.000 2.342 267 A HA 0.781 5.100 4.320 -0.001 0.000 0.323 267 A C -1.010 176.712 177.584 0.229 0.000 1.125 267 A CA -0.584 51.571 52.037 0.197 0.000 0.785 267 A CB 1.376 20.488 19.000 0.187 0.000 1.221 267 A HN 0.532 nan 8.150 nan 0.000 0.463 268 V N 2.354 122.423 119.914 0.257 0.000 2.732 268 V HA 0.743 4.863 4.120 -0.001 0.000 0.310 268 V C -0.593 175.759 176.094 0.430 0.000 1.053 268 V CA -0.243 62.177 62.300 0.200 0.000 0.957 268 V CB 1.306 33.111 31.823 -0.030 0.000 1.018 268 V HN 1.039 nan 8.190 nan 0.000 0.452 269 Y N 1.207 121.638 120.300 0.219 0.000 2.641 269 Y HA 0.781 5.331 4.550 -0.001 0.000 0.333 269 Y C -1.107 174.934 175.900 0.234 0.000 1.174 269 Y CA -1.443 56.847 58.100 0.317 0.000 1.057 269 Y CB 1.745 40.354 38.460 0.248 0.000 1.322 269 Y HN 0.536 nan 8.280 nan 0.000 0.457 270 K N 3.950 124.536 120.400 0.309 0.000 2.616 270 K HA 0.396 4.715 4.320 -0.001 0.000 0.255 270 K C -3.311 173.467 176.600 0.296 0.000 0.995 270 K CA -1.893 54.489 56.287 0.159 0.000 0.860 270 K CB 2.365 34.930 32.500 0.108 0.000 1.264 270 K HN 0.541 nan 8.250 nan 0.000 0.451 271 P HA 0.167 nan 4.420 nan 0.000 0.272 271 P C -2.711 174.662 177.300 0.121 0.000 1.223 271 P CA -1.224 61.997 63.100 0.201 0.000 0.784 271 P CB 0.513 32.333 31.700 0.200 0.000 0.923 272 P HA 0.273 nan 4.420 nan 0.000 0.282 272 P C -0.589 176.719 177.300 0.014 0.000 1.249 272 P CA -0.363 62.757 63.100 0.034 0.000 0.806 272 P CB 1.083 32.672 31.700 -0.186 0.000 0.984 273 K N 1.329 121.758 120.400 0.048 0.000 2.227 273 K HA 0.417 4.737 4.320 -0.001 0.000 0.280 273 K C -0.512 176.079 176.600 -0.015 0.000 1.041 273 K CA -0.736 55.563 56.287 0.020 0.000 0.905 273 K CB 1.026 33.552 32.500 0.043 0.000 1.068 273 K HN 0.238 nan 8.250 nan 0.000 0.470 274 V N 2.662 122.547 119.914 -0.048 0.000 2.417 274 V HA 0.388 4.508 4.120 -0.001 0.000 0.291 274 V C -0.377 175.676 176.094 -0.068 0.000 1.024 274 V CA -0.575 61.674 62.300 -0.085 0.000 0.861 274 V CB 1.372 33.116 31.823 -0.132 0.000 0.985 274 V HN 0.975 nan 8.190 nan 0.000 0.436 275 S N 4.899 120.559 115.700 -0.068 0.000 2.550 275 S HA 0.807 5.277 4.470 -0.001 0.000 0.270 275 S C -1.267 173.307 174.600 -0.044 0.000 1.145 275 S CA -0.879 57.294 58.200 -0.045 0.000 0.852 275 S CB 1.686 64.874 63.200 -0.021 0.000 1.119 275 S HN 0.438 nan 8.310 nan 0.000 0.465 276 L N 1.585 122.797 121.223 -0.018 0.000 2.322 276 L HA 0.725 5.064 4.340 -0.001 0.000 0.269 276 L C -0.700 176.181 176.870 0.019 0.000 1.012 276 L CA -0.881 53.966 54.840 0.012 0.000 0.815 276 L CB 1.816 43.903 42.059 0.047 0.000 1.295 276 L HN 0.551 nan 8.230 nan 0.000 0.438 277 M N 2.118 121.734 119.600 0.028 0.000 2.277 277 M HA 0.387 4.867 4.480 -0.001 0.000 0.282 277 M C -2.639 173.674 176.300 0.023 0.000 1.074 277 M CA -1.999 53.315 55.300 0.022 0.000 0.954 277 M CB 2.037 34.647 32.600 0.017 0.000 1.672 277 M HN 0.102 nan 8.290 nan 0.000 0.471 278 P HA 0.199 nan 4.420 nan 0.000 0.269 278 P C 0.298 177.613 177.300 0.025 0.000 1.215 278 P CA 0.076 63.189 63.100 0.021 0.000 0.780 278 P CB 0.695 32.406 31.700 0.019 0.000 0.898 279 A N 2.131 124.962 122.820 0.019 0.000 1.969 279 A HA 0.012 4.332 4.320 -0.001 0.000 0.218 279 A C 0.854 178.449 177.584 0.019 0.000 1.169 279 A CA 1.885 53.932 52.037 0.018 0.000 0.635 279 A CB -0.980 18.027 19.000 0.012 0.000 0.810 279 A HN 0.642 nan 8.150 nan 0.000 0.445 280 T N -3.232 111.333 114.554 0.017 0.000 2.916 280 T HA 0.653 5.003 4.350 -0.001 0.000 0.305 280 T C -0.793 173.916 174.700 0.015 0.000 1.119 280 T CA -0.743 61.365 62.100 0.014 0.000 1.008 280 T CB 1.324 70.197 68.868 0.007 0.000 1.129 280 T HN 0.095 nan 8.240 nan 0.000 0.480 281 L N 1.785 123.016 121.223 0.013 0.000 2.331 281 L HA 0.778 5.118 4.340 -0.001 0.000 0.275 281 L C 0.858 177.730 176.870 0.004 0.000 1.022 281 L CA -1.236 53.612 54.840 0.013 0.000 0.812 281 L CB 1.590 43.664 42.059 0.024 0.000 1.257 281 L HN 1.039 nan 8.230 nan 0.000 0.435 282 A N 3.148 125.972 122.820 0.008 0.000 2.259 282 A HA 0.525 4.845 4.320 -0.001 0.000 0.278 282 A C 0.044 177.632 177.584 0.007 0.000 1.107 282 A CA -0.479 51.562 52.037 0.007 0.000 0.828 282 A CB 0.379 19.386 19.000 0.012 0.000 1.111 282 A HN 0.754 nan 8.150 nan 0.000 0.498 283 R N -0.699 119.809 120.500 0.013 0.000 2.543 283 R HA 0.468 4.808 4.340 -0.001 0.000 0.277 283 R C -0.182 176.135 176.300 0.028 0.000 1.074 283 R CA 0.535 56.649 56.100 0.023 0.000 1.076 283 R CB 0.718 31.041 30.300 0.038 0.000 0.993 283 R HN 0.799 nan 8.270 nan 0.000 0.459 284 A N 1.287 124.129 122.820 0.037 0.000 2.515 284 A HA 0.687 5.007 4.320 -0.001 0.000 0.298 284 A C -1.011 176.599 177.584 0.043 0.000 1.059 284 A CA -0.749 51.310 52.037 0.036 0.000 0.698 284 A CB 1.808 20.828 19.000 0.034 0.000 1.289 284 A HN 0.744 nan 8.150 nan 0.000 0.404 285 A N 2.253 125.094 122.820 0.035 0.000 2.340 285 A HA 0.720 5.040 4.320 -0.001 0.000 0.268 285 A C -2.438 175.166 177.584 0.033 0.000 1.100 285 A CA -1.405 50.652 52.037 0.033 0.000 0.803 285 A CB -0.498 18.517 19.000 0.025 0.000 1.043 285 A HN 0.558 nan 8.150 nan 0.000 0.488 286 P HA 0.161 nan 4.420 nan 0.000 0.269 286 P C 1.154 178.470 177.300 0.026 0.000 1.205 286 P CA 1.911 65.029 63.100 0.031 0.000 0.780 286 P CB 0.382 32.098 31.700 0.026 0.000 0.858 287 G N -0.296 108.520 108.800 0.027 0.000 2.196 287 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.268 287 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.268 287 G C 0.185 175.098 174.900 0.022 0.000 0.975 287 G CA 0.317 45.430 45.100 0.022 0.000 0.648 287 G HN 0.659 nan 8.290 nan 0.000 0.538 288 E N 0.506 120.722 120.200 0.025 0.000 2.216 288 E HA 0.656 5.006 4.350 -0.001 0.000 0.279 288 E C 0.340 176.956 176.600 0.026 0.000 0.997 288 E CA -0.196 56.217 56.400 0.023 0.000 0.817 288 E CB 0.997 30.712 29.700 0.024 0.000 1.096 288 E HN 0.579 nan 8.360 nan 0.000 0.393 289 A N 5.717 128.547 122.820 0.018 0.000 2.301 289 A HA 0.451 4.771 4.320 -0.001 0.000 0.298 289 A C -2.200 175.388 177.584 0.007 0.000 1.185 289 A CA -1.364 50.680 52.037 0.012 0.000 0.830 289 A CB 0.362 19.363 19.000 0.002 0.000 1.112 289 A HN 0.525 nan 8.150 nan 0.000 0.508 290 P HA 0.248 nan 4.420 nan 0.000 0.272 290 P C -2.701 174.580 177.300 -0.031 0.000 1.230 290 P CA -1.074 62.024 63.100 -0.002 0.000 0.788 290 P CB -0.076 31.634 31.700 0.017 0.000 0.949 291 P HA 0.060 nan 4.420 nan 0.000 0.271 291 P C 0.054 177.319 177.300 -0.058 0.000 1.218 291 P CA 0.001 63.088 63.100 -0.021 0.000 0.780 291 P CB 0.544 32.242 31.700 -0.003 0.000 0.901 292 E N 1.963 122.140 120.200 -0.038 0.000 2.608 292 E HA -0.012 4.337 4.350 -0.001 0.000 0.259 292 E C -0.581 175.956 176.600 -0.105 0.000 0.951 292 E CA 0.027 56.383 56.400 -0.073 0.000 0.945 292 E CB 0.028 29.755 29.700 0.044 0.000 0.916 292 E HN 0.348 nan 8.360 nan 0.000 0.477 293 L N 5.860 126.941 121.223 -0.236 0.000 2.289 293 L HA 0.387 4.726 4.340 -0.001 0.000 0.285 293 L C -0.046 176.756 176.870 -0.113 0.000 1.049 293 L CA -0.640 54.098 54.840 -0.169 0.000 0.804 293 L CB 0.966 42.872 42.059 -0.255 0.000 1.195 293 L HN 0.537 nan 8.230 nan 0.000 0.428 294 L N 3.660 124.877 121.223 -0.011 0.000 2.298 294 L HA 0.400 4.740 4.340 -0.001 0.000 0.284 294 L C -0.682 176.186 176.870 -0.003 0.000 1.013 294 L CA -0.354 54.436 54.840 -0.083 0.000 0.824 294 L CB 1.509 43.519 42.059 -0.082 0.000 1.221 294 L HN 0.719 nan 8.230 nan 0.000 0.418 295 c N 6.984 125.578 118.600 -0.009 0.000 2.200 295 c HA 0.426 4.996 4.570 -0.001 0.000 0.328 295 c C 0.191 174.191 174.090 -0.150 0.000 1.148 295 c CA -0.848 55.414 56.329 -0.112 0.000 1.624 295 c CB -0.888 41.408 42.510 -0.357 0.000 2.167 295 c HN 0.716 nan 8.230 nan 0.000 0.484 296 L N 6.552 127.714 121.223 -0.102 0.000 2.315 296 L HA 0.352 4.691 4.340 -0.001 0.000 0.283 296 L C -0.085 176.746 176.870 -0.065 0.000 1.089 296 L CA -0.127 54.672 54.840 -0.068 0.000 0.833 296 L CB 1.118 43.160 42.059 -0.028 0.000 1.170 296 L HN 0.409 nan 8.230 nan 0.000 0.442 297 V N 3.042 122.930 119.914 -0.044 0.000 2.259 297 V HA 0.225 4.344 4.120 -0.001 0.000 0.267 297 V C 0.142 176.307 176.094 0.117 0.000 1.051 297 V CA -0.330 61.949 62.300 -0.035 0.000 0.830 297 V CB 0.855 32.601 31.823 -0.128 0.000 1.080 297 V HN 0.760 nan 8.190 nan 0.000 0.467 298 S N 2.578 118.344 115.700 0.109 0.000 2.578 298 S HA 0.517 4.987 4.470 -0.001 0.000 0.283 298 S C -0.068 174.663 174.600 0.218 0.000 1.195 298 S CA -0.597 57.683 58.200 0.133 0.000 1.050 298 S CB 0.408 63.685 63.200 0.129 0.000 1.012 298 S HN 0.943 nan 8.310 nan 0.000 0.511 299 H N 0.579 119.732 119.070 0.138 0.000 2.387 299 H HA -0.178 4.378 4.556 -0.001 0.000 0.315 299 H C -0.523 174.886 175.328 0.135 0.000 0.955 299 H CA 1.121 57.209 56.048 0.067 0.000 1.046 299 H CB -1.631 28.100 29.762 -0.051 0.000 1.615 299 H HN 0.523 nan 8.280 nan 0.000 0.346 300 F N -0.511 119.486 119.950 0.079 0.000 2.631 300 F HA 0.789 5.316 4.527 -0.001 0.000 0.328 300 F C -0.865 175.018 175.800 0.138 0.000 1.067 300 F CA -1.667 56.343 58.000 0.017 0.000 0.969 300 F CB 1.659 40.527 39.000 -0.219 0.000 1.332 300 F HN 0.083 nan 8.300 nan 0.000 0.490 301 Y N 0.847 121.253 120.300 0.176 0.000 2.521 301 Y HA 0.517 5.067 4.550 -0.001 0.000 0.326 301 Y C -3.155 172.987 175.900 0.403 0.000 1.176 301 Y CA -2.349 55.859 58.100 0.180 0.000 1.079 301 Y CB 2.184 40.703 38.460 0.098 0.000 1.341 301 Y HN 0.468 nan 8.280 nan 0.000 0.456 302 P HA 0.126 nan 4.420 nan 0.000 0.272 302 P C 0.303 177.528 177.300 -0.124 0.000 1.240 302 P CA 0.527 63.092 63.100 -0.891 0.000 0.791 302 P CB 0.955 32.381 31.700 -0.456 0.000 0.978 303 S N 0.088 115.659 115.700 -0.216 0.000 2.383 303 S HA -0.010 4.459 4.470 -0.001 0.000 0.227 303 S C 1.268 176.040 174.600 0.286 0.000 1.026 303 S CA 0.708 58.928 58.200 0.032 0.000 0.981 303 S CB -1.421 61.744 63.200 -0.058 0.000 0.818 303 S HN 0.602 nan 8.310 nan 0.000 0.472 304 G N -0.345 108.542 108.800 0.144 0.000 2.634 304 G HA2 0.424 4.383 3.960 -0.001 0.000 0.255 304 G HA3 0.424 4.383 3.960 -0.001 0.000 0.255 304 G C 0.986 175.968 174.900 0.137 0.000 1.205 304 G CA -0.219 44.958 45.100 0.128 0.000 0.884 304 G HN 1.385 nan 8.290 nan 0.000 0.549 305 G N -1.536 107.306 108.800 0.070 0.000 2.155 305 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.257 305 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.257 305 G C 0.338 175.276 174.900 0.062 0.000 0.983 305 G CA 0.353 45.456 45.100 0.006 0.000 0.676 305 G HN 0.895 nan 8.290 nan 0.000 0.528 306 L N 1.178 122.484 121.223 0.138 0.000 2.281 306 L HA 0.618 4.958 4.340 -0.001 0.000 0.285 306 L C 0.043 176.911 176.870 -0.003 0.000 1.074 306 L CA 0.213 55.073 54.840 0.034 0.000 0.817 306 L CB 0.536 42.511 42.059 -0.139 0.000 1.168 306 L HN 0.361 nan 8.230 nan 0.000 0.434 307 E N 3.785 123.974 120.200 -0.019 0.000 2.248 307 E HA 0.505 4.855 4.350 -0.001 0.000 0.267 307 E C -1.250 175.300 176.600 -0.084 0.000 0.877 307 E CA -0.799 55.596 56.400 -0.008 0.000 0.759 307 E CB 2.941 32.674 29.700 0.054 0.000 1.182 307 E HN 0.335 nan 8.360 nan 0.000 0.418 308 V N 2.623 122.481 119.914 -0.093 0.000 2.448 308 V HA 0.311 4.431 4.120 -0.001 0.000 0.295 308 V C -0.438 175.551 176.094 -0.175 0.000 1.025 308 V CA -0.591 61.584 62.300 -0.207 0.000 0.859 308 V CB 1.591 33.287 31.823 -0.212 0.000 0.988 308 V HN 0.655 nan 8.190 nan 0.000 0.431 309 E N 3.216 123.246 120.200 -0.283 0.000 2.248 309 E HA 0.442 4.792 4.350 -0.001 0.000 0.267 309 E C -1.706 174.736 176.600 -0.263 0.000 0.877 309 E CA -0.539 55.771 56.400 -0.151 0.000 0.759 309 E CB 2.379 32.034 29.700 -0.075 0.000 1.182 309 E HN 0.617 nan 8.360 nan 0.000 0.418 310 W N 1.783 123.071 121.300 -0.020 0.000 2.529 310 W HA 0.334 4.993 4.660 -0.001 0.000 0.321 310 W C 0.089 176.632 176.519 0.040 0.000 1.047 310 W CA -0.326 57.016 57.345 -0.006 0.000 1.216 310 W CB 1.419 30.862 29.460 -0.028 0.000 1.357 310 W HN 0.385 nan 8.180 nan 0.000 0.489 311 E N 2.012 122.401 120.200 0.314 0.000 2.392 311 E HA 0.592 4.942 4.350 -0.001 0.000 0.269 311 E C -1.811 174.932 176.600 0.238 0.000 0.924 311 E CA -1.508 55.020 56.400 0.213 0.000 0.784 311 E CB 2.541 32.300 29.700 0.098 0.000 1.292 311 E HN 0.180 nan 8.360 nan 0.000 0.447 312 L N 1.708 122.994 121.223 0.105 0.000 2.345 312 L HA 0.396 4.735 4.340 -0.001 0.000 0.274 312 L C -1.004 175.826 176.870 -0.068 0.000 0.999 312 L CA -0.158 54.637 54.840 -0.076 0.000 0.849 312 L CB 0.754 42.728 42.059 -0.141 0.000 1.220 312 L HN 0.422 nan 8.230 nan 0.000 0.422 313 R N 3.413 123.868 120.500 -0.076 0.000 2.457 313 R HA 0.639 4.979 4.340 -0.001 0.000 0.284 313 R C 0.606 176.868 176.300 -0.064 0.000 1.024 313 R CA -0.235 55.836 56.100 -0.049 0.000 1.025 313 R CB 1.184 31.468 30.300 -0.027 0.000 1.063 313 R HN 0.894 nan 8.270 nan 0.000 0.493 314 G N 1.134 109.910 108.800 -0.039 0.000 2.338 314 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.296 314 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.296 314 G C 0.180 175.055 174.900 -0.042 0.000 1.040 314 G CA 0.270 45.350 45.100 -0.033 0.000 1.004 314 G HN 0.851 nan 8.290 nan 0.000 0.509 315 G N -0.669 108.105 108.800 -0.044 0.000 2.820 315 G HA2 0.811 4.771 3.960 -0.001 0.000 0.291 315 G HA3 0.811 4.771 3.960 -0.001 0.000 0.291 315 G C -0.816 174.071 174.900 -0.022 0.000 1.323 315 G CA -0.467 44.605 45.100 -0.046 0.000 1.055 315 G HN 0.123 nan 8.290 nan 0.000 0.520 316 P HA 0.106 nan 4.420 nan 0.000 0.261 316 P C 0.433 177.731 177.300 -0.003 0.000 1.297 316 P CA 0.717 63.814 63.100 -0.006 0.000 0.757 316 P CB 0.082 31.781 31.700 -0.002 0.000 1.149 317 G N -0.719 108.078 108.800 -0.005 0.000 4.079 317 G HA2 0.475 4.434 3.960 -0.001 0.000 0.271 317 G HA3 0.475 4.434 3.960 -0.001 0.000 0.271 317 G C 0.117 175.018 174.900 0.000 0.000 1.144 317 G CA 0.100 45.200 45.100 0.001 0.000 0.700 317 G HN 0.405 nan 8.290 nan 0.000 0.500 318 G N 1.308 110.107 108.800 -0.001 0.000 2.856 318 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.674 318 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.674 318 G C 0.713 175.610 174.900 -0.005 0.000 1.519 318 G CA -0.132 44.968 45.100 -0.000 0.000 0.940 318 G HN 1.326 nan 8.290 nan 0.000 0.564 319 R N -0.644 119.853 120.500 -0.004 0.000 2.346 319 R HA 0.380 4.719 4.340 -0.001 0.000 0.225 319 R C 0.697 176.994 176.300 -0.005 0.000 0.987 319 R CA 0.614 56.709 56.100 -0.009 0.000 1.106 319 R CB -0.172 30.123 30.300 -0.008 0.000 1.090 319 R HN 1.412 nan 8.270 nan 0.000 0.502 320 S N -0.006 115.695 115.700 0.002 0.000 2.536 320 S HA 0.282 4.752 4.470 -0.001 0.000 0.246 320 S C -1.108 173.504 174.600 0.019 0.000 1.077 320 S CA -1.039 57.168 58.200 0.011 0.000 1.091 320 S CB 1.520 64.729 63.200 0.014 0.000 1.148 320 S HN 0.112 nan 8.310 nan 0.000 0.447 321 Q N 1.680 121.496 119.800 0.026 0.000 2.359 321 Q HA 0.422 4.761 4.340 -0.001 0.000 0.274 321 Q C -1.120 174.918 176.000 0.064 0.000 1.074 321 Q CA -0.631 55.195 55.803 0.037 0.000 0.810 321 Q CB 2.551 31.304 28.738 0.025 0.000 1.342 321 Q HN 0.823 nan 8.270 nan 0.000 0.427 322 K N 1.051 121.495 120.400 0.073 0.000 2.416 322 K HA 0.367 4.687 4.320 -0.001 0.000 0.283 322 K C -0.234 176.444 176.600 0.129 0.000 1.037 322 K CA 0.020 56.369 56.287 0.104 0.000 0.995 322 K CB 0.568 33.123 32.500 0.091 0.000 0.938 322 K HN 0.711 nan 8.250 nan 0.000 0.475 323 A N 4.522 127.457 122.820 0.191 0.000 2.425 323 A HA 0.099 4.419 4.320 -0.001 0.000 0.242 323 A C -0.346 177.324 177.584 0.144 0.000 1.077 323 A CA 0.028 52.207 52.037 0.237 0.000 0.781 323 A CB 0.275 19.497 19.000 0.370 0.000 1.020 323 A HN 0.863 nan 8.150 nan 0.000 0.494 324 E N -0.499 119.778 120.200 0.127 0.000 2.232 324 E HA 0.641 4.990 4.350 -0.001 0.000 0.264 324 E C 0.262 176.855 176.600 -0.012 0.000 0.973 324 E CA 0.017 56.452 56.400 0.058 0.000 0.849 324 E CB 1.718 31.457 29.700 0.065 0.000 1.198 324 E HN 1.344 nan 8.360 nan 0.000 0.407 325 G N 0.572 109.359 108.800 -0.022 0.000 2.353 325 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.615 325 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.615 325 G C -1.382 173.495 174.900 -0.038 0.000 1.280 325 G CA -1.002 44.063 45.100 -0.058 0.000 1.000 325 G HN 0.265 nan 8.290 nan 0.000 0.516 326 Q N 0.323 120.123 119.800 0.001 0.000 2.261 326 Q HA 0.581 4.921 4.340 -0.001 0.000 0.252 326 Q C 0.784 176.842 176.000 0.097 0.000 0.915 326 Q CA -0.109 55.770 55.803 0.127 0.000 0.915 326 Q CB 1.538 30.427 28.738 0.250 0.000 1.204 326 Q HN 0.894 nan 8.270 nan 0.000 0.421 327 R N 0.529 121.139 120.500 0.183 0.000 2.740 327 R HA 0.772 5.112 4.340 -0.001 0.000 0.273 327 R C -1.225 175.304 176.300 0.382 0.000 0.998 327 R CA -0.800 55.304 56.100 0.006 0.000 0.900 327 R CB 1.662 31.913 30.300 -0.080 0.000 1.223 327 R HN 0.714 nan 8.270 nan 0.000 0.466 328 W N 0.847 122.209 121.300 0.104 0.000 2.959 328 W HA 0.639 5.299 4.660 -0.001 0.000 0.358 328 W C -2.186 174.472 176.519 0.232 0.000 1.228 328 W CA -1.255 56.162 57.345 0.120 0.000 1.183 328 W CB 0.932 30.410 29.460 0.029 0.000 1.467 328 W HN 0.382 nan 8.180 nan 0.000 0.578 329 L N 2.782 124.261 121.223 0.426 0.000 2.354 329 L HA 0.635 4.975 4.340 -0.001 0.000 0.269 329 L C 0.643 177.720 176.870 0.346 0.000 1.005 329 L CA -1.055 53.973 54.840 0.313 0.000 0.819 329 L CB 2.060 44.241 42.059 0.203 0.000 1.311 329 L HN 0.658 nan 8.230 nan 0.000 0.423 330 S N 1.384 117.271 115.700 0.311 0.000 2.655 330 S HA 0.720 5.190 4.470 -0.001 0.000 0.265 330 S C 0.137 174.833 174.600 0.160 0.000 1.240 330 S CA -0.455 57.905 58.200 0.267 0.000 0.986 330 S CB 1.458 64.811 63.200 0.255 0.000 0.985 330 S HN 0.710 nan 8.310 nan 0.000 0.562 331 A N 0.384 123.274 122.820 0.118 0.000 2.272 331 A HA 0.581 4.901 4.320 -0.001 0.000 0.275 331 A C -0.054 177.548 177.584 0.030 0.000 1.096 331 A CA -0.660 51.423 52.037 0.076 0.000 0.822 331 A CB -0.253 18.787 19.000 0.066 0.000 1.088 331 A HN 0.770 nan 8.150 nan 0.000 0.495 332 L N 0.508 121.722 121.223 -0.016 0.000 2.426 332 L HA 0.265 4.605 4.340 -0.001 0.000 0.271 332 L C 0.639 177.341 176.870 -0.280 0.000 1.169 332 L CA 0.880 55.617 54.840 -0.170 0.000 0.836 332 L CB 0.271 42.182 42.059 -0.246 0.000 1.112 332 L HN 0.668 nan 8.230 nan 0.000 0.465 333 R N 2.921 123.182 120.500 -0.399 0.000 2.387 333 R HA 0.382 4.722 4.340 -0.001 0.000 0.314 333 R C -1.227 174.629 176.300 -0.739 0.000 0.958 333 R CA -0.802 55.057 56.100 -0.401 0.000 0.846 333 R CB 1.047 31.181 30.300 -0.276 0.000 1.147 333 R HN 0.610 nan 8.270 nan 0.000 0.447 334 H N 2.375 121.217 119.070 -0.380 0.000 2.504 334 H HA 0.260 4.816 4.556 -0.001 0.000 0.322 334 H C -0.101 175.011 175.328 -0.361 0.000 1.055 334 H CA -0.497 55.329 56.048 -0.370 0.000 1.231 334 H CB 0.745 30.411 29.762 -0.159 0.000 1.417 334 H HN 0.368 nan 8.280 nan 0.000 0.472 335 H N 1.074 120.178 119.070 0.056 0.000 2.495 335 H HA 0.133 4.689 4.556 -0.001 0.000 0.350 335 H C 0.821 176.189 175.328 0.067 0.000 1.202 335 H CA -0.507 55.578 56.048 0.061 0.000 1.322 335 H CB 1.508 31.320 29.762 0.083 0.000 1.544 335 H HN 0.616 nan 8.280 nan 0.000 0.565 336 S N 0.385 116.196 115.700 0.184 0.000 2.399 336 S HA -0.163 4.306 4.470 -0.001 0.000 0.231 336 S C 1.230 175.875 174.600 0.074 0.000 1.022 336 S CA 1.542 59.795 58.200 0.089 0.000 0.983 336 S CB -0.187 63.048 63.200 0.057 0.000 0.803 336 S HN 0.702 nan 8.310 nan 0.000 0.480 337 D N 0.118 120.582 120.400 0.108 0.000 2.349 337 D HA 0.181 4.821 4.640 -0.001 0.000 0.224 337 D C 1.270 177.611 176.300 0.069 0.000 1.029 337 D CA 0.781 54.825 54.000 0.073 0.000 0.879 337 D CB -0.658 40.173 40.800 0.052 0.000 0.906 337 D HN 0.386 nan 8.370 nan 0.000 0.528 338 G N 0.016 108.878 108.800 0.103 0.000 2.199 338 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.254 338 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.254 338 G C 0.524 175.524 174.900 0.167 0.000 0.982 338 G CA 0.527 45.688 45.100 0.101 0.000 0.632 338 G HN 0.836 nan 8.290 nan 0.000 0.529 339 S N -0.520 115.285 115.700 0.174 0.000 2.634 339 S HA 0.814 5.284 4.470 -0.001 0.000 0.261 339 S C 0.424 175.063 174.600 0.065 0.000 1.271 339 S CA 0.244 58.560 58.200 0.192 0.000 0.985 339 S CB 2.086 65.418 63.200 0.220 0.000 0.968 339 S HN 1.909 nan 8.310 nan 0.000 0.568 340 V N -2.821 116.941 119.914 -0.253 0.000 3.130 340 V HA 0.927 5.047 4.120 -0.001 0.000 0.310 340 V C -0.432 175.312 176.094 -0.584 0.000 1.158 340 V CA -0.713 61.256 62.300 -0.552 0.000 1.029 340 V CB 1.434 32.821 31.823 -0.727 0.000 1.057 340 V HN 0.943 nan 8.190 nan 0.000 0.436 341 S N 1.609 117.064 115.700 -0.408 0.000 2.627 341 S HA 0.946 5.416 4.470 -0.001 0.000 0.283 341 S C -0.999 173.598 174.600 -0.006 0.000 1.127 341 S CA -0.506 57.653 58.200 -0.070 0.000 0.863 341 S CB 1.743 64.962 63.200 0.033 0.000 1.121 341 S HN 1.493 nan 8.310 nan 0.000 0.479 342 L N -0.413 120.883 121.223 0.121 0.000 2.775 342 L HA 0.797 5.137 4.340 -0.001 0.000 0.263 342 L C -1.810 175.084 176.870 0.039 0.000 1.017 342 L CA -0.515 54.377 54.840 0.085 0.000 0.891 342 L CB 1.761 43.908 42.059 0.148 0.000 1.482 342 L HN 0.623 nan 8.230 nan 0.000 0.410 343 S N 0.419 116.133 115.700 0.022 0.000 2.500 343 S HA 0.824 5.294 4.470 -0.001 0.000 0.301 343 S C -0.188 174.333 174.600 -0.130 0.000 1.092 343 S CA -0.251 57.893 58.200 -0.093 0.000 1.030 343 S CB 1.744 64.865 63.200 -0.132 0.000 1.031 343 S HN 0.999 nan 8.310 nan 0.000 0.483 344 G N 1.222 109.900 108.800 -0.204 0.000 2.388 344 G HA2 0.661 4.621 3.960 -0.001 0.000 0.330 344 G HA3 0.661 4.621 3.960 -0.001 0.000 0.330 344 G C -1.391 173.424 174.900 -0.143 0.000 1.142 344 G CA -0.469 44.607 45.100 -0.040 0.000 0.908 344 G HN 0.688 nan 8.290 nan 0.000 0.473 345 H N -0.417 118.537 119.070 -0.194 0.000 2.768 345 H HA 0.665 5.220 4.556 -0.001 0.000 0.371 345 H C -0.946 173.701 175.328 -1.136 0.000 1.151 345 H CA -0.660 54.941 56.048 -0.745 0.000 1.165 345 H CB 2.502 31.307 29.762 -1.595 0.000 1.722 345 H HN 0.526 nan 8.280 nan 0.000 0.543 346 L N 1.744 122.264 121.223 -1.171 0.000 2.464 346 L HA 0.428 4.768 4.340 -0.001 0.000 0.266 346 L C -1.395 175.004 176.870 -0.786 0.000 0.965 346 L CA -0.680 53.393 54.840 -1.278 0.000 0.833 346 L CB 2.150 42.907 42.059 -2.170 0.000 1.296 346 L HN 0.594 nan 8.230 nan 0.000 0.405 347 Q N 6.052 125.571 119.800 -0.468 0.000 2.462 347 Q HA 0.578 4.917 4.340 -0.001 0.000 0.247 347 Q C -2.605 173.239 176.000 -0.260 0.000 1.044 347 Q CA -2.192 53.474 55.803 -0.228 0.000 0.803 347 Q CB 1.360 30.122 28.738 0.041 0.000 1.190 347 Q HN 0.388 nan 8.270 nan 0.000 0.507 348 P HA 0.203 nan 4.420 nan 0.000 0.272 348 P C -2.534 174.703 177.300 -0.105 0.000 1.223 348 P CA -1.011 61.899 63.100 -0.316 0.000 0.784 348 P CB 0.305 31.680 31.700 -0.542 0.000 0.923 349 P HA 0.239 nan 4.420 nan 0.000 0.275 349 P C -2.581 174.740 177.300 0.035 0.000 1.266 349 P CA -1.766 61.343 63.100 0.015 0.000 0.793 349 P CB -0.920 30.802 31.700 0.036 0.000 1.074 350 P HA -0.035 nan 4.420 nan 0.000 0.265 350 P C -0.264 177.068 177.300 0.053 0.000 1.193 350 P CA 0.187 63.309 63.100 0.036 0.000 0.765 350 P CB 0.032 31.748 31.700 0.026 0.000 0.823 351 V N 1.526 121.476 119.914 0.060 0.000 2.637 351 V HA 0.263 4.383 4.120 -0.001 0.000 0.296 351 V C 0.193 176.317 176.094 0.051 0.000 1.046 351 V CA 0.145 62.486 62.300 0.068 0.000 1.066 351 V CB 0.136 32.002 31.823 0.071 0.000 0.968 351 V HN 0.418 nan 8.190 nan 0.000 0.483 352 T N 3.768 118.349 114.554 0.046 0.000 2.934 352 T HA 0.297 4.646 4.350 -0.001 0.000 0.283 352 T C 1.361 176.087 174.700 0.043 0.000 1.005 352 T CA 0.238 62.360 62.100 0.037 0.000 1.041 352 T CB 1.451 70.336 68.868 0.028 0.000 1.042 352 T HN 0.880 nan 8.240 nan 0.000 0.505 353 T N 1.388 115.965 114.554 0.037 0.000 2.915 353 T HA -0.093 4.257 4.350 -0.001 0.000 0.269 353 T C 1.567 176.295 174.700 0.046 0.000 1.071 353 T CA 1.033 63.158 62.100 0.043 0.000 1.132 353 T CB -0.153 68.725 68.868 0.017 0.000 0.878 353 T HN 0.772 nan 8.240 nan 0.000 0.479 354 E N 1.102 121.319 120.200 0.029 0.000 2.365 354 E HA 0.038 4.387 4.350 -0.001 0.000 0.188 354 E C 1.284 177.899 176.600 0.025 0.000 1.102 354 E CA 0.188 56.602 56.400 0.023 0.000 0.927 354 E CB -0.102 29.605 29.700 0.010 0.000 1.073 354 E HN 0.489 nan 8.360 nan 0.000 0.467 355 Q N 0.032 119.855 119.800 0.039 0.000 2.245 355 Q HA 0.027 4.367 4.340 -0.001 0.000 0.236 355 Q C 0.215 176.231 176.000 0.028 0.000 0.842 355 Q CA -0.283 55.522 55.803 0.003 0.000 0.945 355 Q CB 0.464 29.189 28.738 -0.020 0.000 1.122 355 Q HN 0.380 nan 8.270 nan 0.000 0.506 356 H N 0.084 119.138 119.070 -0.027 0.000 3.094 356 H HA -0.026 4.529 4.556 -0.001 0.000 0.320 356 H C 1.060 176.372 175.328 -0.027 0.000 1.000 356 H CA 2.346 58.382 56.048 -0.020 0.000 1.413 356 H CB 0.483 30.239 29.762 -0.009 0.000 1.405 356 H HN 0.498 nan 8.280 nan 0.000 0.586 357 G N 2.748 111.399 108.800 -0.249 0.000 2.253 357 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.251 357 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.251 357 G C 0.444 175.302 174.900 -0.071 0.000 0.998 357 G CA 0.438 45.482 45.100 -0.093 0.000 0.621 357 G HN 0.996 nan 8.290 nan 0.000 0.524 358 A N -0.210 122.559 122.820 -0.085 0.000 2.313 358 A HA 0.842 5.162 4.320 -0.001 0.000 0.261 358 A C 0.495 177.990 177.584 -0.149 0.000 1.090 358 A CA 0.342 52.311 52.037 -0.114 0.000 0.807 358 A CB 0.443 19.355 19.000 -0.148 0.000 1.055 358 A HN 0.650 nan 8.150 nan 0.000 0.492 359 R N -0.621 119.792 120.500 -0.146 0.000 2.670 359 R HA 0.494 4.833 4.340 -0.001 0.000 0.289 359 R C -1.677 174.548 176.300 -0.125 0.000 0.965 359 R CA -0.281 55.757 56.100 -0.103 0.000 0.899 359 R CB 1.118 31.397 30.300 -0.034 0.000 1.173 359 R HN 0.691 nan 8.270 nan 0.000 0.456 360 Y N 0.793 121.117 120.300 0.041 0.000 2.308 360 Y HA 0.644 5.194 4.550 -0.001 0.000 0.329 360 Y C 0.242 176.215 175.900 0.120 0.000 1.111 360 Y CA -0.326 57.828 58.100 0.090 0.000 1.179 360 Y CB 1.807 40.317 38.460 0.083 0.000 1.201 360 Y HN 0.702 nan 8.280 nan 0.000 0.483 361 A N 1.929 124.958 122.820 0.349 0.000 2.572 361 A HA 0.681 5.001 4.320 -0.001 0.000 0.295 361 A C -1.393 176.214 177.584 0.039 0.000 1.072 361 A CA -0.764 51.367 52.037 0.158 0.000 0.691 361 A CB 0.526 19.553 19.000 0.045 0.000 1.291 361 A HN 0.878 nan 8.150 nan 0.000 0.404 362 c N 0.581 119.013 118.600 -0.280 0.000 2.298 362 c HA 0.883 5.453 4.570 -0.001 0.000 0.323 362 c C -0.026 173.793 174.090 -0.451 0.000 1.284 362 c CA -0.867 55.044 56.329 -0.697 0.000 1.577 362 c CB 0.226 41.939 42.510 -1.328 0.000 2.249 362 c HN 0.977 nan 8.230 nan 0.000 0.497 363 R N 2.918 123.173 120.500 -0.409 0.000 2.207 363 R HA 0.706 5.046 4.340 -0.001 0.000 0.334 363 R C -1.012 174.998 176.300 -0.483 0.000 1.013 363 R CA -0.261 55.611 56.100 -0.380 0.000 0.858 363 R CB 0.094 30.208 30.300 -0.309 0.000 1.094 363 R HN 0.747 nan 8.270 nan 0.000 0.457 364 I N 4.650 124.944 120.570 -0.459 0.000 2.359 364 I HA 0.300 4.469 4.170 -0.001 0.000 0.294 364 I C -0.162 175.706 176.117 -0.415 0.000 0.987 364 I CA -0.430 60.627 61.300 -0.404 0.000 1.225 364 I CB 1.380 39.190 38.000 -0.316 0.000 1.366 364 I HN 0.527 nan 8.210 nan 0.000 0.466 365 H N 5.310 124.313 119.070 -0.111 0.000 2.495 365 H HA 0.544 5.099 4.556 -0.001 0.000 0.348 365 H C -0.982 174.337 175.328 -0.015 0.000 1.113 365 H CA -0.399 55.612 56.048 -0.061 0.000 1.195 365 H CB 1.790 31.518 29.762 -0.058 0.000 1.521 365 H HN 0.565 nan 8.280 nan 0.000 0.509 366 H N 4.139 123.224 119.070 0.026 0.000 3.086 366 H HA 0.086 4.641 4.556 -0.001 0.000 0.353 366 H C -2.266 173.063 175.328 0.003 0.000 1.134 366 H CA -1.576 54.453 56.048 -0.032 0.000 1.248 366 H CB 3.001 32.693 29.762 -0.118 0.000 1.878 366 H HN 0.290 nan 8.280 nan 0.000 0.527 367 P HA -0.200 nan 4.420 nan 0.000 0.218 367 P C 1.003 178.240 177.300 -0.105 0.000 1.147 367 P CA 1.636 64.585 63.100 -0.253 0.000 0.827 367 P CB 0.070 31.588 31.700 -0.303 0.000 0.778 368 S N -2.076 113.658 115.700 0.057 0.000 2.701 368 S HA 0.171 4.641 4.470 -0.001 0.000 0.220 368 S C 0.675 175.367 174.600 0.154 0.000 0.954 368 S CA -0.304 57.997 58.200 0.169 0.000 0.936 368 S CB -0.820 62.654 63.200 0.456 0.000 0.777 368 S HN 0.040 nan 8.310 nan 0.000 0.518 369 L N 0.684 121.978 121.223 0.119 0.000 2.323 369 L HA 0.603 4.942 4.340 -0.001 0.000 0.265 369 L C -2.421 174.480 176.870 0.051 0.000 1.012 369 L CA -2.834 52.061 54.840 0.091 0.000 0.820 369 L CB 1.429 43.551 42.059 0.104 0.000 1.334 369 L HN -0.031 nan 8.230 nan 0.000 0.427 370 P HA 0.063 nan 4.420 nan 0.000 0.271 370 P C 0.160 177.486 177.300 0.043 0.000 1.238 370 P CA -0.167 62.950 63.100 0.029 0.000 0.794 370 P CB 0.582 32.298 31.700 0.026 0.000 0.959 371 A N 0.867 123.697 122.820 0.017 0.000 1.940 371 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 371 A C 2.001 179.621 177.584 0.061 0.000 1.176 371 A CA 2.240 54.276 52.037 -0.003 0.000 0.631 371 A CB -1.693 17.294 19.000 -0.021 0.000 0.814 371 A HN 0.612 nan 8.150 nan 0.000 0.446 372 S N -1.446 114.306 115.700 0.087 0.000 2.607 372 S HA 0.391 4.861 4.470 -0.001 0.000 0.224 372 S C 1.303 176.000 174.600 0.162 0.000 0.969 372 S CA 0.923 59.198 58.200 0.125 0.000 0.927 372 S CB -0.990 62.240 63.200 0.051 0.000 0.772 372 S HN 2.032 nan 8.310 nan 0.000 0.533 373 G N 1.075 109.984 108.800 0.182 0.000 2.593 373 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.237 373 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.237 373 G C -0.514 174.352 174.900 -0.056 0.000 1.312 373 G CA -0.169 44.947 45.100 0.025 0.000 0.896 373 G HN 0.760 nan 8.290 nan 0.000 0.574 374 R N -0.636 119.778 120.500 -0.142 0.000 2.604 374 R HA 0.705 5.045 4.340 -0.001 0.000 0.281 374 R C -0.400 175.801 176.300 -0.165 0.000 1.020 374 R CA 0.164 56.195 56.100 -0.114 0.000 0.899 374 R CB 1.844 32.087 30.300 -0.095 0.000 1.205 374 R HN 0.924 nan 8.270 nan 0.000 0.450 375 S N 0.956 116.578 115.700 -0.129 0.000 2.667 375 S HA 0.946 5.416 4.470 -0.001 0.000 0.292 375 S C -1.535 172.999 174.600 -0.111 0.000 1.126 375 S CA -0.632 57.481 58.200 -0.145 0.000 0.881 375 S CB 2.062 65.189 63.200 -0.121 0.000 1.132 375 S HN 0.712 nan 8.310 nan 0.000 0.492 376 A N 1.333 124.085 122.820 -0.114 0.000 2.517 376 A HA 0.753 5.073 4.320 -0.001 0.000 0.297 376 A C -1.180 176.382 177.584 -0.037 0.000 1.050 376 A CA -0.823 51.171 52.037 -0.072 0.000 0.694 376 A CB 1.261 20.211 19.000 -0.084 0.000 1.277 376 A HN 0.834 nan 8.150 nan 0.000 0.400 377 E N 0.183 120.383 120.200 -0.001 0.000 2.416 377 E HA 0.790 5.140 4.350 -0.001 0.000 0.273 377 E C -1.641 174.990 176.600 0.051 0.000 0.935 377 E CA -1.063 55.361 56.400 0.041 0.000 0.784 377 E CB 2.293 32.009 29.700 0.026 0.000 1.301 377 E HN 0.883 nan 8.360 nan 0.000 0.454 378 V N 0.694 120.659 119.914 0.084 0.000 2.841 378 V HA 0.459 4.579 4.120 -0.001 0.000 0.310 378 V C -1.217 174.909 176.094 0.054 0.000 1.090 378 V CA -0.290 62.052 62.300 0.069 0.000 0.930 378 V CB 2.390 34.270 31.823 0.094 0.000 1.014 378 V HN 0.893 nan 8.190 nan 0.000 0.425 379 T N 7.343 121.903 114.554 0.011 0.000 2.837 379 T HA 0.573 4.922 4.350 -0.001 0.000 0.285 379 T C -0.152 174.521 174.700 -0.045 0.000 0.984 379 T CA -0.210 61.871 62.100 -0.032 0.000 1.049 379 T CB 1.045 69.880 68.868 -0.054 0.000 0.947 379 T HN 0.535 nan 8.240 nan 0.000 0.472 380 L N 2.393 123.566 121.223 -0.083 0.000 2.399 380 L HA 0.616 4.955 4.340 -0.001 0.000 0.266 380 L C 0.463 177.203 176.870 -0.216 0.000 1.114 380 L CA -0.568 54.220 54.840 -0.086 0.000 0.804 380 L CB 1.078 43.098 42.059 -0.065 0.000 1.146 380 L HN 0.570 nan 8.230 nan 0.000 0.451 381 E N 0.000 120.107 120.200 -0.156 0.000 2.725 381 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 381 E CA 0.000 56.278 56.400 -0.204 0.000 0.976 381 E CB 0.000 29.643 29.700 -0.095 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440