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 1vsy_1_2 DATA FIRST_RESID 701 DATA SEQUENCE TQQPIVTGXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE TSVISMKYDN GVIIAADNLG SYGSLLRFNG VERLIPVGDN TVVGISGDIS DATA SEQUENCE DMQHIERLLK DLVTENAYDN PLADAEEALE PSYIFEYLAT VMYQRRSKMN DATA SEQUENCE PLWNAIIVAG VQSNGDQFLR YVNLLGVTYS SPTLATGFGA HMANPLLRKV DATA SEQUENCE VDRESDIPKT TVQVAEEAIV NAMRVLYYRD ARSSRNFSLA IIDKNTGLTF DATA SEQUENCE KKNLQVENMK WDFAKDIKGY GTQKI 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 701 T HA 0.000 nan 4.350 nan 0.000 0.228 701 T C 0.000 174.748 174.700 0.079 0.000 1.109 701 T CA 0.000 62.166 62.100 0.110 0.000 1.349 701 T CB 0.000 68.912 68.868 0.073 0.000 0.612 702 Q N 1.411 121.271 119.800 0.099 0.000 2.226 702 Q HA 0.704 5.044 4.340 -0.001 0.000 0.171 702 Q C -0.116 175.697 176.000 -0.312 0.000 1.077 702 Q CA -0.908 54.861 55.803 -0.057 0.000 1.135 702 Q CB 0.481 29.200 28.738 -0.032 0.000 1.413 702 Q HN 0.519 nan 8.270 nan 0.000 0.589 703 Q N -2.275 117.238 119.800 -0.478 0.000 2.386 703 Q HA 0.555 4.895 4.340 -0.001 0.000 0.274 703 Q C -2.931 172.664 176.000 -0.675 0.000 1.011 703 Q CA -2.007 53.305 55.803 -0.819 0.000 0.867 703 Q CB 1.315 29.761 28.738 -0.488 0.000 1.409 703 Q HN 0.290 nan 8.270 nan 0.000 0.395 704 P HA 0.180 nan 4.420 nan 0.000 0.271 704 P C -0.390 176.736 177.300 -0.290 0.000 1.216 704 P CA -0.211 62.590 63.100 -0.498 0.000 0.776 704 P CB 0.690 32.110 31.700 -0.468 0.000 0.881 705 I N 0.657 121.123 120.570 -0.174 0.000 4.716 705 I HA 0.092 4.262 4.170 -0.001 0.000 0.240 705 I C 0.354 176.430 176.117 -0.068 0.000 1.006 705 I CA 0.074 61.273 61.300 -0.168 0.000 1.875 705 I CB -0.510 37.425 38.000 -0.108 0.000 1.537 705 I HN -0.034 nan 8.210 nan 0.000 0.461 706 V N 3.120 123.083 119.914 0.081 0.000 2.572 706 V HA 0.227 4.347 4.120 -0.001 0.000 0.291 706 V C -0.119 176.047 176.094 0.120 0.000 1.039 706 V CA 0.335 62.748 62.300 0.189 0.000 1.055 706 V CB 0.454 32.450 31.823 0.289 0.000 0.969 706 V HN 0.683 nan 8.190 nan 0.000 0.482 707 T N 1.781 116.411 114.554 0.127 0.000 2.991 707 T HA 0.643 4.993 4.350 -0.001 0.000 0.303 707 T C 0.071 174.846 174.700 0.125 0.000 1.015 707 T CA -0.281 61.887 62.100 0.113 0.000 1.007 707 T CB 1.421 70.343 68.868 0.090 0.000 1.034 707 T HN 0.877 nan 8.240 nan 0.000 0.446 7002 S N 0.820 116.612 115.700 0.153 0.000 2.558 7002 S HA 0.425 4.895 4.470 -0.001 0.000 0.287 7002 S C -0.119 174.558 174.600 0.130 0.000 1.321 7002 S CA -0.538 57.765 58.200 0.172 0.000 1.048 7002 S CB 0.323 63.652 63.200 0.214 0.000 0.844 7002 S HN 0.678 nan 8.310 nan 0.000 0.512 7003 V N 3.635 123.629 119.914 0.134 0.000 2.540 7003 V HA 0.613 4.732 4.120 -0.001 0.000 0.302 7003 V C 0.117 176.273 176.094 0.102 0.000 1.035 7003 V CA -0.818 61.549 62.300 0.113 0.000 0.873 7003 V CB 1.262 33.158 31.823 0.122 0.000 0.992 7003 V HN 0.923 nan 8.190 nan 0.000 0.428 7004 I N 2.334 122.948 120.570 0.072 0.000 2.785 7004 I HA 1.023 5.193 4.170 -0.001 0.000 0.302 7004 I C -0.441 175.705 176.117 0.050 0.000 1.069 7004 I CA -0.390 60.942 61.300 0.054 0.000 1.045 7004 I CB 2.554 40.570 38.000 0.026 0.000 1.236 7004 I HN 0.719 nan 8.210 nan 0.000 0.429 7005 S N 5.854 121.580 115.700 0.044 0.000 2.565 7005 S HA 0.755 5.224 4.470 -0.001 0.000 0.274 7005 S C -0.866 173.755 174.600 0.036 0.000 1.144 7005 S CA -0.894 57.334 58.200 0.046 0.000 0.849 7005 S CB 1.716 64.949 63.200 0.055 0.000 1.103 7005 S HN 1.108 nan 8.310 nan 0.000 0.455 7006 M N 0.534 120.164 119.600 0.049 0.000 2.569 7006 M HA 0.665 5.145 4.480 -0.001 0.000 0.279 7006 M C -1.547 174.803 176.300 0.082 0.000 1.253 7006 M CA -0.883 54.446 55.300 0.048 0.000 0.867 7006 M CB 2.205 34.834 32.600 0.048 0.000 1.727 7006 M HN 0.758 nan 8.290 nan 0.000 0.467 7007 K N 0.920 121.351 120.400 0.052 0.000 2.106 7007 K HA 0.778 5.098 4.320 -0.001 0.000 0.246 7007 K C -1.446 175.225 176.600 0.118 0.000 0.987 7007 K CA -0.569 55.740 56.287 0.036 0.000 0.904 7007 K CB 1.355 33.820 32.500 -0.060 0.000 1.071 7007 K HN 0.853 nan 8.250 nan 0.000 0.453 7008 Y N -2.169 118.127 120.300 -0.006 0.000 2.896 7008 Y HA 0.205 4.754 4.550 -0.001 0.000 0.317 7008 Y C 0.649 176.548 175.900 -0.001 0.000 1.444 7008 Y CA -0.877 57.221 58.100 -0.004 0.000 1.084 7008 Y CB -0.061 38.398 38.460 -0.002 0.000 1.382 7008 Y HN 0.668 nan 8.280 nan 0.000 0.471 7009 D N 0.270 120.808 120.400 0.229 0.000 2.170 7009 D HA -0.265 4.374 4.640 -0.001 0.000 0.193 7009 D C 0.364 176.621 176.300 -0.071 0.000 1.004 7009 D CA 2.672 56.723 54.000 0.085 0.000 0.860 7009 D CB -0.480 40.408 40.800 0.147 0.000 0.931 7009 D HN 0.799 nan 8.370 nan 0.000 0.448 7010 N N -1.001 117.568 118.700 -0.218 0.000 2.612 7010 N HA 0.277 5.017 4.740 -0.001 0.000 0.224 7010 N C 1.243 176.515 175.510 -0.397 0.000 1.051 7010 N CA 0.455 53.378 53.050 -0.211 0.000 0.889 7010 N CB 0.810 39.287 38.487 -0.017 0.000 1.449 7010 N HN 0.263 nan 8.380 nan 0.000 0.442 7011 G N 0.579 108.848 108.800 -0.885 0.000 3.234 7011 G HA2 0.637 4.597 3.960 -0.001 0.000 0.159 7011 G HA3 0.637 4.597 3.960 -0.001 0.000 0.159 7011 G C -1.076 173.393 174.900 -0.719 0.000 1.175 7011 G CA -0.097 44.638 45.100 -0.608 0.000 0.900 7011 G HN 0.101 nan 8.290 nan 0.000 0.621 7012 V N -2.312 117.480 119.914 -0.204 0.000 3.188 7012 V HA 0.804 4.924 4.120 -0.001 0.000 0.305 7012 V C -1.260 174.984 176.094 0.250 0.000 1.232 7012 V CA -1.128 61.200 62.300 0.046 0.000 1.043 7012 V CB 1.744 33.569 31.823 0.002 0.000 1.068 7012 V HN 0.665 nan 8.190 nan 0.000 0.439 7013 I N 2.965 123.669 120.570 0.224 0.000 2.608 7013 I HA 0.664 4.834 4.170 -0.001 0.000 0.295 7013 I C -0.850 175.321 176.117 0.091 0.000 1.049 7013 I CA -0.698 60.690 61.300 0.146 0.000 1.063 7013 I CB 2.146 40.211 38.000 0.108 0.000 1.248 7013 I HN 0.750 nan 8.210 nan 0.000 0.424 7014 I N 4.076 124.687 120.570 0.068 0.000 2.722 7014 I HA 0.819 4.989 4.170 -0.001 0.000 0.295 7014 I C -1.339 174.806 176.117 0.046 0.000 1.161 7014 I CA -0.243 61.093 61.300 0.060 0.000 1.032 7014 I CB 1.959 40.003 38.000 0.073 0.000 1.244 7014 I HN 0.775 nan 8.210 nan 0.000 0.421 7015 A N 5.241 128.097 122.820 0.059 0.000 2.587 7015 A HA 1.014 5.333 4.320 -0.001 0.000 0.293 7015 A C -1.642 175.995 177.584 0.088 0.000 1.087 7015 A CA -0.170 51.920 52.037 0.088 0.000 0.692 7015 A CB 1.957 21.029 19.000 0.119 0.000 1.291 7015 A HN 1.358 nan 8.150 nan 0.000 0.407 7016 A N 1.465 124.363 122.820 0.131 0.000 2.560 7016 A HA 0.583 4.903 4.320 -0.001 0.000 0.300 7016 A C -0.920 176.760 177.584 0.160 0.000 1.062 7016 A CA -0.123 51.983 52.037 0.115 0.000 0.767 7016 A CB 0.446 19.511 19.000 0.108 0.000 1.288 7016 A HN 1.490 nan 8.150 nan 0.000 0.396 7017 D N 1.164 121.645 120.400 0.136 0.000 2.354 7017 D HA 0.139 4.779 4.640 -0.001 0.000 0.238 7017 D C 0.049 176.431 176.300 0.135 0.000 1.250 7017 D CA -0.179 53.919 54.000 0.164 0.000 0.911 7017 D CB 0.481 41.346 40.800 0.107 0.000 1.163 7017 D HN 0.224 nan 8.370 nan 0.000 0.456 7018 N N -0.467 118.307 118.700 0.122 0.000 2.453 7018 N HA 0.207 4.947 4.740 -0.001 0.000 0.270 7018 N C -1.003 174.573 175.510 0.111 0.000 1.195 7018 N CA -0.297 52.817 53.050 0.106 0.000 0.902 7018 N CB -0.119 38.418 38.487 0.084 0.000 1.186 7018 N HN 0.394 nan 8.380 nan 0.000 0.510 7019 L N -0.191 121.103 121.223 0.118 0.000 2.381 7019 L HA 0.719 5.059 4.340 -0.001 0.000 0.274 7019 L C -0.167 176.792 176.870 0.148 0.000 0.988 7019 L CA -0.685 54.233 54.840 0.130 0.000 0.824 7019 L CB 1.623 43.749 42.059 0.112 0.000 1.263 7019 L HN 0.032 nan 8.230 nan 0.000 0.410 7020 G N 2.414 111.334 108.800 0.201 0.000 2.417 7020 G HA2 0.580 4.539 3.960 -0.001 0.000 0.320 7020 G HA3 0.580 4.539 3.960 -0.001 0.000 0.320 7020 G C -1.197 173.853 174.900 0.250 0.000 1.204 7020 G CA -0.431 44.811 45.100 0.236 0.000 0.923 7020 G HN 0.618 nan 8.290 nan 0.000 0.466 7021 S N 0.962 116.773 115.700 0.184 0.000 2.478 7021 S HA 0.315 4.785 4.470 -0.001 0.000 0.312 7021 S C -1.000 173.693 174.600 0.154 0.000 1.094 7021 S CA -0.750 57.530 58.200 0.134 0.000 1.081 7021 S CB 1.656 64.906 63.200 0.083 0.000 1.007 7021 S HN 0.539 nan 8.310 nan 0.000 0.475 7022 Y N 3.663 123.957 120.300 -0.010 0.000 2.636 7022 Y HA 0.437 4.987 4.550 -0.001 0.000 0.341 7022 Y C 1.286 177.175 175.900 -0.018 0.000 1.169 7022 Y CA 1.105 59.198 58.100 -0.012 0.000 1.498 7022 Y CB -0.772 37.649 38.460 -0.065 0.000 1.362 7022 Y HN 1.221 nan 8.280 nan 0.000 0.494 7023 G N 2.271 111.012 108.800 -0.098 0.000 2.565 7023 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.295 7023 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.295 7023 G C 1.136 176.035 174.900 -0.002 0.000 1.165 7023 G CA 0.630 45.685 45.100 -0.075 0.000 0.977 7023 G HN 1.075 nan 8.290 nan 0.000 0.546 7024 S N -0.200 115.507 115.700 0.012 0.000 2.575 7024 S HA 0.501 4.971 4.470 -0.001 0.000 0.215 7024 S C 0.728 175.343 174.600 0.025 0.000 0.966 7024 S CA 1.072 59.282 58.200 0.017 0.000 0.911 7024 S CB 0.383 63.589 63.200 0.010 0.000 0.780 7024 S HN 1.506 nan 8.310 nan 0.000 0.514 7025 L N 2.349 123.600 121.223 0.046 0.000 2.262 7025 L HA 0.492 4.832 4.340 -0.001 0.000 0.288 7025 L C -0.338 176.537 176.870 0.010 0.000 1.035 7025 L CA -0.692 54.165 54.840 0.027 0.000 0.820 7025 L CB 0.690 42.771 42.059 0.036 0.000 1.204 7025 L HN 0.211 nan 8.230 nan 0.000 0.424 7026 L N 6.156 127.377 121.223 -0.004 0.000 2.400 7026 L HA 0.179 4.519 4.340 -0.001 0.000 0.262 7026 L C 1.576 178.409 176.870 -0.062 0.000 1.309 7026 L CA 0.130 54.970 54.840 0.000 0.000 1.186 7026 L CB -0.707 41.366 42.059 0.024 0.000 1.375 7026 L HN 0.803 nan 8.230 nan 0.000 0.433 7027 R N 1.839 122.250 120.500 -0.148 0.000 2.062 7027 R HA 0.036 4.375 4.340 -0.001 0.000 0.226 7027 R C -0.039 175.940 176.300 -0.534 0.000 1.125 7027 R CA 0.978 56.804 56.100 -0.457 0.000 0.966 7027 R CB 0.292 30.128 30.300 -0.772 0.000 0.861 7027 R HN 0.254 nan 8.270 nan 0.000 0.433 7028 F N -0.086 119.892 119.950 0.047 0.000 2.426 7028 F HA 0.334 4.861 4.527 -0.001 0.000 0.348 7028 F C 0.285 176.111 175.800 0.044 0.000 1.124 7028 F CA -0.808 57.215 58.000 0.039 0.000 1.008 7028 F CB 1.817 40.844 39.000 0.045 0.000 1.139 7028 F HN -0.064 nan 8.300 nan 0.000 0.452 7029 N N 0.851 119.676 118.700 0.208 0.000 2.205 7029 N HA 0.179 4.918 4.740 -0.001 0.000 0.201 7029 N C 1.210 176.786 175.510 0.109 0.000 1.128 7029 N CA 0.047 53.172 53.050 0.126 0.000 0.867 7029 N CB 0.611 39.148 38.487 0.082 0.000 0.996 7029 N HN 0.826 nan 8.380 nan 0.000 0.503 7030 G N -0.098 108.775 108.800 0.122 0.000 3.969 7030 G HA2 0.186 4.146 3.960 -0.001 0.000 0.291 7030 G HA3 0.186 4.146 3.960 -0.001 0.000 0.291 7030 G C -0.180 174.765 174.900 0.076 0.000 1.016 7030 G CA -0.079 45.072 45.100 0.084 0.000 0.819 7030 G HN -0.030 nan 8.290 nan 0.000 0.493 7031 V N 1.014 120.984 119.914 0.093 0.000 2.555 7031 V HA 0.268 4.388 4.120 -0.001 0.000 0.286 7031 V C 0.028 176.174 176.094 0.088 0.000 1.044 7031 V CA -0.207 62.140 62.300 0.079 0.000 1.026 7031 V CB 1.481 33.362 31.823 0.096 0.000 0.981 7031 V HN 0.370 nan 8.190 nan 0.000 0.480 7032 E N 4.369 124.619 120.200 0.083 0.000 2.134 7032 E HA 0.378 4.728 4.350 -0.001 0.000 0.278 7032 E C 0.405 177.075 176.600 0.117 0.000 0.959 7032 E CA -0.219 56.251 56.400 0.116 0.000 0.783 7032 E CB 0.876 30.654 29.700 0.129 0.000 1.095 7032 E HN 0.489 nan 8.360 nan 0.000 0.399 7033 R N 3.792 124.371 120.500 0.132 0.000 2.472 7033 R HA 0.303 4.642 4.340 -0.001 0.000 0.279 7033 R C -0.162 176.222 176.300 0.140 0.000 0.953 7033 R CA -0.171 56.002 56.100 0.121 0.000 1.088 7033 R CB 0.364 30.732 30.300 0.113 0.000 1.197 7033 R HN 0.390 nan 8.270 nan 0.000 0.536 7034 L N 2.366 123.704 121.223 0.192 0.000 2.265 7034 L HA 0.472 4.812 4.340 -0.001 0.000 0.289 7034 L C -0.247 176.787 176.870 0.274 0.000 1.033 7034 L CA -0.488 54.501 54.840 0.250 0.000 0.814 7034 L CB 1.478 43.699 42.059 0.270 0.000 1.203 7034 L HN -0.025 nan 8.230 nan 0.000 0.423 7035 I N 4.997 125.677 120.570 0.183 0.000 2.330 7035 I HA 0.314 4.483 4.170 -0.001 0.000 0.286 7035 I C -2.274 173.905 176.117 0.102 0.000 1.025 7035 I CA -2.029 59.336 61.300 0.108 0.000 1.197 7035 I CB 1.379 39.423 38.000 0.073 0.000 1.358 7035 I HN 0.261 nan 8.210 nan 0.000 0.467 7036 P HA 0.169 nan 4.420 nan 0.000 0.276 7036 P C -0.640 176.666 177.300 0.010 0.000 1.230 7036 P CA -0.170 62.950 63.100 0.032 0.000 0.776 7036 P CB 1.122 32.769 31.700 -0.089 0.000 0.888 7037 V N 3.681 123.615 119.914 0.032 0.000 2.409 7037 V HA 0.625 4.744 4.120 -0.001 0.000 0.290 7037 V C 0.803 176.902 176.094 0.009 0.000 1.017 7037 V CA 0.391 62.701 62.300 0.017 0.000 0.841 7037 V CB 0.521 32.365 31.823 0.034 0.000 1.003 7037 V HN 1.007 nan 8.190 nan 0.000 0.426 7038 G N 5.392 114.187 108.800 -0.008 0.000 2.552 7038 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.265 7038 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.265 7038 G C -0.117 174.782 174.900 -0.002 0.000 1.234 7038 G CA 0.419 45.513 45.100 -0.010 0.000 0.944 7038 G HN 1.173 nan 8.290 nan 0.000 0.568 7039 D N -0.516 119.886 120.400 0.003 0.000 2.891 7039 D HA 0.300 4.939 4.640 -0.001 0.000 0.332 7039 D C 0.586 176.900 176.300 0.022 0.000 1.369 7039 D CA 0.307 54.318 54.000 0.019 0.000 0.827 7039 D CB -1.164 39.645 40.800 0.016 0.000 1.141 7039 D HN 0.916 nan 8.370 nan 0.000 0.464 7040 N N -1.773 116.938 118.700 0.019 0.000 2.011 7040 N HA 0.052 4.791 4.740 -0.001 0.000 0.228 7040 N C -0.660 174.868 175.510 0.031 0.000 1.378 7040 N CA -0.458 52.600 53.050 0.013 0.000 0.852 7040 N CB 0.994 39.468 38.487 -0.021 0.000 1.111 7040 N HN -0.093 nan 8.380 nan 0.000 0.497 7041 T N 1.013 115.596 114.554 0.048 0.000 2.916 7041 T HA 0.450 4.800 4.350 -0.001 0.000 0.298 7041 T C -1.249 173.513 174.700 0.105 0.000 1.031 7041 T CA -0.446 61.701 62.100 0.079 0.000 0.993 7041 T CB 2.863 71.774 68.868 0.070 0.000 1.045 7041 T HN -0.078 nan 8.240 nan 0.000 0.454 7042 V N 3.205 123.198 119.914 0.131 0.000 2.540 7042 V HA 0.546 4.666 4.120 -0.001 0.000 0.302 7042 V C -0.450 175.733 176.094 0.148 0.000 1.035 7042 V CA -0.751 61.643 62.300 0.157 0.000 0.873 7042 V CB 2.032 33.967 31.823 0.187 0.000 0.992 7042 V HN 0.722 nan 8.190 nan 0.000 0.428 7043 V N 3.862 123.861 119.914 0.143 0.000 2.370 7043 V HA 0.707 4.826 4.120 -0.001 0.000 0.283 7043 V C 0.692 176.859 176.094 0.122 0.000 1.023 7043 V CA -0.269 62.109 62.300 0.130 0.000 0.857 7043 V CB 1.639 33.529 31.823 0.113 0.000 0.985 7043 V HN 0.961 nan 8.190 nan 0.000 0.443 7044 G N 5.156 114.024 108.800 0.114 0.000 2.356 7044 G HA2 0.756 4.716 3.960 -0.001 0.000 0.322 7044 G HA3 0.756 4.716 3.960 -0.001 0.000 0.322 7044 G C -0.911 174.042 174.900 0.088 0.000 1.125 7044 G CA -0.440 44.724 45.100 0.107 0.000 0.885 7044 G HN 0.606 nan 8.290 nan 0.000 0.467 7045 I N 1.791 122.414 120.570 0.088 0.000 2.478 7045 I HA 0.319 4.489 4.170 -0.001 0.000 0.287 7045 I C 0.129 176.299 176.117 0.089 0.000 1.042 7045 I CA -0.705 60.638 61.300 0.072 0.000 1.067 7045 I CB 2.331 40.369 38.000 0.064 0.000 1.233 7045 I HN 0.591 nan 8.210 nan 0.000 0.431 7046 S N 4.355 120.110 115.700 0.091 0.000 2.664 7046 S HA 1.005 5.474 4.470 -0.001 0.000 0.304 7046 S C 0.020 174.694 174.600 0.122 0.000 1.099 7046 S CA 0.177 58.447 58.200 0.116 0.000 1.003 7046 S CB 2.306 65.589 63.200 0.138 0.000 1.092 7046 S HN 1.259 nan 8.310 nan 0.000 0.525 7047 G N 1.135 110.026 108.800 0.152 0.000 2.416 7047 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.203 7047 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.203 7047 G C -1.093 173.915 174.900 0.179 0.000 1.227 7047 G CA -0.220 45.001 45.100 0.202 0.000 1.041 7047 G HN 0.969 nan 8.290 nan 0.000 0.546 7048 D N 1.438 121.964 120.400 0.209 0.000 2.346 7048 D HA 0.210 4.850 4.640 -0.001 0.000 0.260 7048 D C 2.024 178.389 176.300 0.110 0.000 1.252 7048 D CA -0.445 53.634 54.000 0.132 0.000 0.895 7048 D CB 0.320 41.190 40.800 0.117 0.000 1.097 7048 D HN 0.315 nan 8.370 nan 0.000 0.489 7049 I N 3.150 123.777 120.570 0.094 0.000 2.335 7049 I HA -0.283 3.887 4.170 -0.001 0.000 0.251 7049 I C 2.402 178.553 176.117 0.058 0.000 1.129 7049 I CA 0.891 62.237 61.300 0.077 0.000 1.402 7049 I CB -1.279 36.766 38.000 0.076 0.000 1.069 7049 I HN 0.422 nan 8.210 nan 0.000 0.424 7050 S N 0.819 116.552 115.700 0.054 0.000 2.355 7050 S HA -0.188 4.282 4.470 -0.001 0.000 0.222 7050 S C 1.601 176.243 174.600 0.070 0.000 1.031 7050 S CA 1.320 59.548 58.200 0.045 0.000 0.993 7050 S CB -0.383 62.836 63.200 0.032 0.000 0.859 7050 S HN 0.346 nan 8.310 nan 0.000 0.453 7051 D N 0.783 121.229 120.400 0.076 0.000 2.310 7051 D HA 0.009 4.648 4.640 -0.001 0.000 0.212 7051 D C 1.711 178.085 176.300 0.123 0.000 0.965 7051 D CA 0.742 54.800 54.000 0.096 0.000 0.879 7051 D CB -0.255 40.604 40.800 0.099 0.000 0.921 7051 D HN 0.530 nan 8.370 nan 0.000 0.510 7052 M N -0.059 119.600 119.600 0.098 0.000 2.248 7052 M HA -0.113 4.367 4.480 -0.001 0.000 0.265 7052 M C 1.683 178.028 176.300 0.074 0.000 1.079 7052 M CA 1.134 56.483 55.300 0.082 0.000 1.150 7052 M CB 0.162 32.807 32.600 0.074 0.000 1.366 7052 M HN -0.161 nan 8.290 nan 0.000 0.433 7053 Q N -1.155 118.688 119.800 0.071 0.000 2.224 7053 Q HA -0.233 4.107 4.340 -0.001 0.000 0.203 7053 Q C 1.779 177.821 176.000 0.070 0.000 0.970 7053 Q CA 1.666 57.500 55.803 0.052 0.000 0.865 7053 Q CB -0.313 28.446 28.738 0.034 0.000 0.922 7053 Q HN 0.682 nan 8.270 nan 0.000 0.445 7054 H N 0.811 119.889 119.070 0.012 0.000 2.307 7054 H HA -0.015 4.541 4.556 -0.001 0.000 0.303 7054 H C 1.806 177.143 175.328 0.015 0.000 1.073 7054 H CA 1.482 57.538 56.048 0.013 0.000 1.338 7054 H CB -0.023 29.746 29.762 0.012 0.000 1.389 7054 H HN 0.105 nan 8.280 nan 0.000 0.503 7055 I N 0.521 121.117 120.570 0.044 0.000 2.335 7055 I HA -0.239 3.931 4.170 -0.001 0.000 0.251 7055 I C 2.465 178.560 176.117 -0.037 0.000 1.129 7055 I CA 1.706 62.993 61.300 -0.023 0.000 1.402 7055 I CB -0.385 37.631 38.000 0.026 0.000 1.069 7055 I HN 0.526 nan 8.210 nan 0.000 0.424 7056 E N 1.639 121.830 120.200 -0.014 0.000 2.047 7056 E HA -0.283 4.067 4.350 -0.001 0.000 0.191 7056 E C 2.343 178.921 176.600 -0.037 0.000 0.987 7056 E CA 1.305 57.699 56.400 -0.010 0.000 0.799 7056 E CB -0.026 29.676 29.700 0.004 0.000 0.752 7056 E HN 0.395 nan 8.360 nan 0.000 0.449 7057 R N 0.587 121.047 120.500 -0.068 0.000 2.152 7057 R HA -0.103 4.236 4.340 -0.001 0.000 0.232 7057 R C 2.251 178.491 176.300 -0.101 0.000 1.117 7057 R CA 1.153 57.203 56.100 -0.082 0.000 0.981 7057 R CB -0.375 29.876 30.300 -0.081 0.000 0.870 7057 R HN 0.250 nan 8.270 nan 0.000 0.451 7058 L N 0.447 121.583 121.223 -0.146 0.000 2.131 7058 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 7058 L C 2.155 179.046 176.870 0.034 0.000 1.092 7058 L CA 1.139 55.940 54.840 -0.064 0.000 0.759 7058 L CB -0.278 41.747 42.059 -0.057 0.000 0.903 7058 L HN 0.320 nan 8.230 nan 0.000 0.435 7059 L N -0.726 120.512 121.223 0.024 0.000 2.102 7059 L HA -0.136 4.204 4.340 -0.001 0.000 0.202 7059 L C 2.548 179.406 176.870 -0.021 0.000 1.076 7059 L CA 0.793 55.651 54.840 0.030 0.000 0.761 7059 L CB -0.493 41.594 42.059 0.046 0.000 0.921 7059 L HN 0.100 nan 8.230 nan 0.000 0.444 7060 K N 0.480 120.861 120.400 -0.031 0.000 2.074 7060 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 7060 K C 1.637 178.197 176.600 -0.067 0.000 1.048 7060 K CA 1.995 58.254 56.287 -0.047 0.000 0.926 7060 K CB -0.014 32.461 32.500 -0.042 0.000 0.713 7060 K HN 0.209 nan 8.250 nan 0.000 0.444 7061 D N 0.423 120.784 120.400 -0.065 0.000 2.144 7061 D HA -0.155 4.485 4.640 -0.001 0.000 0.200 7061 D C 1.628 177.855 176.300 -0.122 0.000 0.978 7061 D CA 0.672 54.623 54.000 -0.081 0.000 0.833 7061 D CB -0.022 40.744 40.800 -0.057 0.000 0.961 7061 D HN 0.193 nan 8.370 nan 0.000 0.470 7062 L N 0.411 121.567 121.223 -0.113 0.000 2.395 7062 L HA -0.016 4.324 4.340 -0.001 0.000 0.218 7062 L C 1.820 178.593 176.870 -0.162 0.000 1.130 7062 L CA 0.576 55.313 54.840 -0.172 0.000 0.826 7062 L CB 0.073 42.009 42.059 -0.204 0.000 0.941 7062 L HN -0.080 nan 8.230 nan 0.000 0.451 7063 V N -0.390 119.448 119.914 -0.127 0.000 2.535 7063 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 7063 V C 2.526 178.511 176.094 -0.182 0.000 1.045 7063 V CA 1.844 64.072 62.300 -0.120 0.000 1.058 7063 V CB 0.053 31.828 31.823 -0.080 0.000 0.689 7063 V HN 0.436 nan 8.190 nan 0.000 0.461 7064 T N -0.477 113.944 114.554 -0.221 0.000 2.720 7064 T HA -0.239 4.111 4.350 -0.001 0.000 0.268 7064 T C 1.813 176.101 174.700 -0.686 0.000 1.037 7064 T CA 1.908 63.804 62.100 -0.340 0.000 1.144 7064 T CB -0.106 68.600 68.868 -0.270 0.000 0.864 7064 T HN 0.475 nan 8.240 nan 0.000 0.444 7065 E N 0.898 120.748 120.200 -0.583 0.000 2.047 7065 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 7065 E C 2.170 178.537 176.600 -0.387 0.000 0.987 7065 E CA 0.850 56.873 56.400 -0.630 0.000 0.799 7065 E CB -0.178 29.357 29.700 -0.276 0.000 0.752 7065 E HN 0.363 nan 8.360 nan 0.000 0.449 7066 N N -0.039 118.513 118.700 -0.247 0.000 2.137 7066 N HA -0.216 4.524 4.740 -0.001 0.000 0.190 7066 N C 1.446 176.902 175.510 -0.091 0.000 1.017 7066 N CA 1.659 54.630 53.050 -0.131 0.000 0.859 7066 N CB -0.171 38.260 38.487 -0.092 0.000 1.002 7066 N HN 0.204 nan 8.380 nan 0.000 0.428 7067 A N -0.875 121.862 122.820 -0.138 0.000 1.968 7067 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 7067 A C 0.027 177.653 177.584 0.070 0.000 1.169 7067 A CA 0.219 52.227 52.037 -0.048 0.000 0.638 7067 A CB -0.689 18.270 19.000 -0.068 0.000 0.812 7067 A HN 0.344 nan 8.150 nan 0.000 0.446 7068 Y N 2.006 122.293 120.300 -0.022 0.000 2.865 7068 Y HA 0.054 4.603 4.550 -0.001 0.000 0.338 7068 Y C 0.257 176.145 175.900 -0.020 0.000 1.269 7068 Y CA 0.362 58.449 58.100 -0.021 0.000 1.585 7068 Y CB -0.594 37.851 38.460 -0.025 0.000 1.224 7068 Y HN 0.442 nan 8.280 nan 0.000 0.554 7069 D N 1.787 122.263 120.400 0.127 0.000 2.697 7069 D HA -0.278 4.361 4.640 -0.001 0.000 0.238 7069 D C -0.545 175.783 176.300 0.047 0.000 1.152 7069 D CA 0.917 54.950 54.000 0.056 0.000 0.666 7069 D CB -1.260 39.561 40.800 0.034 0.000 1.037 7069 D HN 0.599 nan 8.370 nan 0.000 0.423 7070 N N -0.628 118.100 118.700 0.046 0.000 2.827 7070 N HA 0.262 5.002 4.740 -0.001 0.000 0.240 7070 N C -2.322 173.201 175.510 0.022 0.000 1.352 7070 N CA -1.143 51.925 53.050 0.029 0.000 0.760 7070 N CB 1.243 39.746 38.487 0.027 0.000 1.426 7070 N HN -0.292 nan 8.380 nan 0.000 0.561 7071 P HA 0.008 nan 4.420 nan 0.000 0.229 7071 P C 0.118 177.424 177.300 0.010 0.000 1.150 7071 P CA 1.034 64.142 63.100 0.013 0.000 0.765 7071 P CB 0.242 31.948 31.700 0.010 0.000 0.783 7072 L N -2.053 119.176 121.223 0.011 0.000 3.062 7072 L HA 0.363 4.702 4.340 -0.001 0.000 0.255 7072 L C 1.614 178.490 176.870 0.010 0.000 1.274 7072 L CA -0.258 54.588 54.840 0.010 0.000 1.047 7072 L CB -0.138 41.927 42.059 0.011 0.000 1.402 7072 L HN -0.119 nan 8.230 nan 0.000 0.550 7073 A N 0.107 122.932 122.820 0.007 0.000 2.119 7073 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 7073 A C 0.957 178.540 177.584 -0.002 0.000 1.153 7073 A CA 1.185 53.223 52.037 0.002 0.000 0.692 7073 A CB -0.321 18.677 19.000 -0.003 0.000 0.799 7073 A HN 0.556 nan 8.150 nan 0.000 0.458 7074 D N -1.682 118.717 120.400 -0.001 0.000 2.643 7074 D HA 0.601 5.240 4.640 -0.001 0.000 0.244 7074 D C 0.333 176.631 176.300 -0.002 0.000 1.257 7074 D CA 0.549 54.547 54.000 -0.004 0.000 0.831 7074 D CB 0.519 41.317 40.800 -0.004 0.000 1.043 7074 D HN 0.349 nan 8.370 nan 0.000 0.488 7075 A N 0.077 122.898 122.820 0.000 0.000 2.430 7075 A HA 0.338 4.658 4.320 -0.001 0.000 0.155 7075 A C 0.624 178.210 177.584 0.003 0.000 1.381 7075 A CA -0.298 51.739 52.037 0.000 0.000 2.576 7075 A CB -0.199 18.802 19.000 0.001 0.000 2.939 7075 A HN -0.054 nan 8.150 nan 0.000 1.219 7076 E N 1.037 121.241 120.200 0.007 0.000 2.021 7076 E HA -0.125 4.225 4.350 -0.001 0.000 0.200 7076 E C 0.406 177.024 176.600 0.029 0.000 1.015 7076 E CA 1.670 58.077 56.400 0.013 0.000 0.824 7076 E CB -0.001 29.707 29.700 0.012 0.000 0.762 7076 E HN 0.468 nan 8.360 nan 0.000 0.454 7077 E N 0.369 120.590 120.200 0.034 0.000 2.368 7077 E HA 0.316 4.665 4.350 -0.001 0.000 0.283 7077 E C -0.759 175.876 176.600 0.059 0.000 1.476 7077 E CA -0.112 56.322 56.400 0.056 0.000 1.786 7077 E CB 0.245 29.966 29.700 0.035 0.000 1.518 7077 E HN 0.171 nan 8.360 nan 0.000 0.456 7078 A N 0.628 123.480 122.820 0.054 0.000 2.282 7078 A HA 0.583 4.903 4.320 -0.001 0.000 0.324 7078 A C 0.037 177.658 177.584 0.062 0.000 1.119 7078 A CA -0.668 51.393 52.037 0.040 0.000 0.880 7078 A CB 0.768 19.773 19.000 0.007 0.000 1.294 7078 A HN 0.372 nan 8.150 nan 0.000 0.493 7079 L N 1.623 122.868 121.223 0.038 0.000 2.462 7079 L HA 0.165 4.505 4.340 -0.001 0.000 0.272 7079 L C 0.130 176.937 176.870 -0.106 0.000 1.166 7079 L CA 0.175 55.046 54.840 0.052 0.000 0.880 7079 L CB 0.272 42.355 42.059 0.040 0.000 1.142 7079 L HN 0.644 nan 8.230 nan 0.000 0.473 7080 E N 5.054 125.036 120.200 -0.363 0.000 2.202 7080 E HA 0.233 4.583 4.350 -0.001 0.000 0.272 7080 E C -1.755 174.582 176.600 -0.437 0.000 0.951 7080 E CA -1.799 54.232 56.400 -0.616 0.000 0.813 7080 E CB 1.856 30.785 29.700 -1.285 0.000 1.151 7080 E HN 0.310 nan 8.360 nan 0.000 0.398 7081 P HA -0.236 nan 4.420 nan 0.000 0.216 7081 P C 1.483 178.542 177.300 -0.402 0.000 1.157 7081 P CA 1.932 64.910 63.100 -0.202 0.000 0.880 7081 P CB 0.091 31.715 31.700 -0.126 0.000 0.791 7082 S N -2.349 112.860 115.700 -0.819 0.000 2.440 7082 S HA -0.231 4.239 4.470 -0.001 0.000 0.240 7082 S C 1.766 176.330 174.600 -0.060 0.000 1.014 7082 S CA 1.206 58.935 58.200 -0.785 0.000 0.980 7082 S CB -1.487 61.320 63.200 -0.654 0.000 0.775 7082 S HN 0.035 nan 8.310 nan 0.000 0.499 7083 Y N 1.651 121.888 120.300 -0.105 0.000 2.159 7083 Y HA 0.307 4.857 4.550 -0.001 0.000 0.285 7083 Y C 2.511 178.465 175.900 0.089 0.000 1.106 7083 Y CA -0.695 57.403 58.100 -0.003 0.000 1.095 7083 Y CB -1.405 37.035 38.460 -0.033 0.000 1.015 7083 Y HN 0.173 nan 8.280 nan 0.000 0.491 7084 I N -0.527 120.199 120.570 0.260 0.000 2.227 7084 I HA -0.405 3.765 4.170 -0.001 0.000 0.250 7084 I C 2.344 178.627 176.117 0.276 0.000 1.087 7084 I CA 2.024 63.472 61.300 0.246 0.000 1.352 7084 I CB -0.574 37.531 38.000 0.176 0.000 1.043 7084 I HN 0.123 nan 8.210 nan 0.000 0.425 7085 F N 1.829 121.871 119.950 0.153 0.000 2.039 7085 F HA -0.233 4.294 4.527 -0.001 0.000 0.294 7085 F C 2.565 178.451 175.800 0.144 0.000 1.130 7085 F CA 2.035 60.140 58.000 0.175 0.000 1.189 7085 F CB -0.326 38.867 39.000 0.322 0.000 0.983 7085 F HN -0.101 nan 8.300 nan 0.000 0.471 7086 E N -0.844 119.557 120.200 0.335 0.000 2.219 7086 E HA -0.296 4.053 4.350 -0.001 0.000 0.198 7086 E C 1.919 178.569 176.600 0.082 0.000 0.998 7086 E CA 1.570 58.080 56.400 0.184 0.000 0.818 7086 E CB -0.607 29.230 29.700 0.227 0.000 0.741 7086 E HN 0.636 nan 8.360 nan 0.000 0.477 7087 Y N 0.343 120.638 120.300 -0.009 0.000 2.130 7087 Y HA -0.116 4.434 4.550 -0.001 0.000 0.287 7087 Y C 1.711 177.558 175.900 -0.088 0.000 1.124 7087 Y CA 1.759 59.838 58.100 -0.034 0.000 1.118 7087 Y CB -0.538 37.918 38.460 -0.006 0.000 0.994 7087 Y HN 0.013 nan 8.280 nan 0.000 0.497 7088 L N 0.170 121.182 121.223 -0.350 0.000 2.012 7088 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 7088 L C 2.798 179.408 176.870 -0.432 0.000 1.073 7088 L CA 1.402 55.961 54.840 -0.468 0.000 0.748 7088 L CB -1.271 40.607 42.059 -0.301 0.000 0.891 7088 L HN 0.340 nan 8.230 nan 0.000 0.431 7089 A N -0.728 121.778 122.820 -0.523 0.000 1.940 7089 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 7089 A C 2.399 179.852 177.584 -0.219 0.000 1.176 7089 A CA 2.442 54.198 52.037 -0.469 0.000 0.631 7089 A CB -0.891 17.724 19.000 -0.643 0.000 0.814 7089 A HN 0.376 nan 8.150 nan 0.000 0.446 7090 T N -0.788 113.665 114.554 -0.169 0.000 2.821 7090 T HA -0.072 4.278 4.350 -0.001 0.000 0.267 7090 T C 1.870 176.530 174.700 -0.067 0.000 1.046 7090 T CA 1.464 63.529 62.100 -0.058 0.000 1.139 7090 T CB -0.269 68.597 68.868 -0.002 0.000 0.871 7090 T HN 0.151 nan 8.240 nan 0.000 0.454 7091 V N 1.951 121.748 119.914 -0.194 0.000 2.307 7091 V HA -0.168 3.952 4.120 -0.001 0.000 0.245 7091 V C 2.616 178.630 176.094 -0.132 0.000 1.045 7091 V CA 1.366 63.553 62.300 -0.189 0.000 1.024 7091 V CB -0.483 31.138 31.823 -0.336 0.000 0.651 7091 V HN 0.457 nan 8.190 nan 0.000 0.449 7092 M N -0.952 118.554 119.600 -0.156 0.000 2.080 7092 M HA -0.229 4.251 4.480 -0.001 0.000 0.260 7092 M C 2.283 178.539 176.300 -0.073 0.000 1.068 7092 M CA 2.119 57.343 55.300 -0.127 0.000 1.109 7092 M CB -1.280 31.221 32.600 -0.166 0.000 1.342 7092 M HN 0.504 nan 8.290 nan 0.000 0.405 7093 Y N 1.203 121.422 120.300 -0.134 0.000 2.293 7093 Y HA -0.183 4.366 4.550 -0.001 0.000 0.291 7093 Y C 2.439 178.297 175.900 -0.070 0.000 1.137 7093 Y CA 1.618 59.662 58.100 -0.094 0.000 1.202 7093 Y CB -0.216 38.199 38.460 -0.076 0.000 0.990 7093 Y HN 0.329 nan 8.280 nan 0.000 0.537 7094 Q N -0.406 119.358 119.800 -0.061 0.000 2.020 7094 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 7094 Q C 2.343 178.246 176.000 -0.162 0.000 0.982 7094 Q CA 1.336 57.074 55.803 -0.108 0.000 0.838 7094 Q CB -0.159 28.560 28.738 -0.031 0.000 0.899 7094 Q HN 0.320 nan 8.270 nan 0.000 0.423 7095 R N 0.823 121.246 120.500 -0.128 0.000 2.083 7095 R HA -0.164 4.176 4.340 -0.001 0.000 0.237 7095 R C 2.300 178.513 176.300 -0.146 0.000 1.137 7095 R CA 1.873 57.905 56.100 -0.113 0.000 0.951 7095 R CB -0.546 29.703 30.300 -0.085 0.000 0.851 7095 R HN 0.310 nan 8.270 nan 0.000 0.434 7096 R N 0.132 120.513 120.500 -0.200 0.000 2.127 7096 R HA -0.005 4.335 4.340 -0.001 0.000 0.238 7096 R C 1.871 178.021 176.300 -0.250 0.000 1.134 7096 R CA 2.151 58.122 56.100 -0.216 0.000 0.975 7096 R CB -0.678 29.482 30.300 -0.233 0.000 0.865 7096 R HN -0.080 nan 8.270 nan 0.000 0.447 7097 S N -0.131 115.354 115.700 -0.359 0.000 2.527 7097 S HA 0.137 4.606 4.470 -0.001 0.000 0.222 7097 S C 0.860 175.357 174.600 -0.173 0.000 0.985 7097 S CA 0.374 58.377 58.200 -0.329 0.000 0.921 7097 S CB 0.108 63.014 63.200 -0.489 0.000 0.772 7097 S HN 0.293 nan 8.310 nan 0.000 0.529 7098 K N 1.005 121.324 120.400 -0.135 0.000 2.410 7098 K HA 0.254 4.574 4.320 -0.001 0.000 0.200 7098 K C -0.007 176.557 176.600 -0.059 0.000 1.023 7098 K CA -0.068 56.172 56.287 -0.079 0.000 1.149 7098 K CB 0.104 32.567 32.500 -0.062 0.000 0.859 7098 K HN 0.249 nan 8.250 nan 0.000 0.514 7099 M N 0.734 120.292 119.600 -0.070 0.000 2.253 7099 M HA -0.252 4.227 4.480 -0.001 0.000 0.199 7099 M C -0.179 176.115 176.300 -0.009 0.000 0.342 7099 M CA 0.894 56.171 55.300 -0.038 0.000 0.417 7099 M CB -2.161 30.426 32.600 -0.021 0.000 1.338 7099 M HN 0.315 nan 8.290 nan 0.000 0.920 7100 N N 0.795 119.484 118.700 -0.018 0.000 2.673 7100 N HA 0.232 4.971 4.740 -0.001 0.000 0.265 7100 N C -2.782 172.734 175.510 0.009 0.000 1.709 7100 N CA -0.839 52.217 53.050 0.010 0.000 0.792 7100 N CB 1.639 40.121 38.487 -0.008 0.000 1.286 7100 N HN 0.092 nan 8.380 nan 0.000 0.506 7101 P HA 0.128 nan 4.420 nan 0.000 0.272 7101 P C -0.196 177.126 177.300 0.036 0.000 1.230 7101 P CA -0.271 62.812 63.100 -0.029 0.000 0.788 7101 P CB 1.538 33.167 31.700 -0.118 0.000 0.949 7102 L N 1.804 123.018 121.223 -0.016 0.000 2.265 7102 L HA 0.218 4.558 4.340 -0.001 0.000 0.288 7102 L C 0.908 177.808 176.870 0.050 0.000 1.058 7102 L CA -0.419 54.442 54.840 0.036 0.000 0.809 7102 L CB 0.506 42.566 42.059 0.001 0.000 1.179 7102 L HN 0.479 nan 8.230 nan 0.000 0.429 7103 W N 5.979 127.261 121.300 -0.030 0.000 1.371 7103 W HA 0.137 4.797 4.660 -0.001 0.000 0.482 7103 W C -0.574 175.940 176.519 -0.009 0.000 0.640 7103 W CA -0.160 57.176 57.345 -0.016 0.000 2.164 7103 W CB 0.148 29.603 29.460 -0.007 0.000 1.613 7103 W HN 0.666 nan 8.180 nan 0.000 0.212 7104 N N 0.992 119.675 118.700 -0.029 0.000 2.455 7104 N HA 0.619 5.359 4.740 -0.001 0.000 0.278 7104 N C -1.259 174.182 175.510 -0.116 0.000 1.291 7104 N CA -0.738 52.304 53.050 -0.014 0.000 0.780 7104 N CB 1.635 40.121 38.487 -0.001 0.000 1.520 7104 N HN 0.014 nan 8.380 nan 0.000 0.486 7105 A N 0.933 123.707 122.820 -0.078 0.000 2.303 7105 A HA 0.732 5.052 4.320 -0.001 0.000 0.320 7105 A C -0.914 176.563 177.584 -0.178 0.000 1.192 7105 A CA -0.408 51.511 52.037 -0.197 0.000 0.821 7105 A CB -0.013 19.002 19.000 0.025 0.000 1.188 7105 A HN 0.620 nan 8.150 nan 0.000 0.492 7106 I N 2.644 123.015 120.570 -0.332 0.000 2.474 7106 I HA 0.433 4.603 4.170 -0.001 0.000 0.294 7106 I C -0.645 175.417 176.117 -0.091 0.000 1.005 7106 I CA -0.319 60.889 61.300 -0.154 0.000 1.113 7106 I CB 1.957 39.873 38.000 -0.140 0.000 1.289 7106 I HN 0.507 nan 8.210 nan 0.000 0.436 7107 I N 6.493 127.097 120.570 0.055 0.000 2.411 7107 I HA 0.298 4.467 4.170 -0.001 0.000 0.284 7107 I C -0.716 175.488 176.117 0.144 0.000 1.012 7107 I CA -0.726 60.651 61.300 0.127 0.000 1.119 7107 I CB 1.878 39.966 38.000 0.147 0.000 1.261 7107 I HN 0.178 nan 8.210 nan 0.000 0.448 7108 V N 6.412 126.450 119.914 0.206 0.000 2.385 7108 V HA 0.598 4.718 4.120 -0.001 0.000 0.269 7108 V C 0.379 176.566 176.094 0.154 0.000 1.043 7108 V CA -0.209 62.241 62.300 0.249 0.000 0.906 7108 V CB 1.214 33.335 31.823 0.496 0.000 0.995 7108 V HN 0.793 nan 8.190 nan 0.000 0.467 7109 A N 4.144 127.052 122.820 0.147 0.000 2.386 7109 A HA 1.041 5.360 4.320 -0.001 0.000 0.311 7109 A C 0.095 177.763 177.584 0.139 0.000 1.068 7109 A CA 0.082 52.182 52.037 0.105 0.000 0.743 7109 A CB 1.985 21.029 19.000 0.074 0.000 1.258 7109 A HN 1.339 nan 8.150 nan 0.000 0.429 7110 G N -0.799 108.080 108.800 0.132 0.000 2.315 7110 G HA2 0.534 4.493 3.960 -0.001 0.000 0.294 7110 G HA3 0.534 4.493 3.960 -0.001 0.000 0.294 7110 G C -1.794 173.155 174.900 0.081 0.000 1.300 7110 G CA -0.101 45.061 45.100 0.104 0.000 0.843 7110 G HN 1.226 nan 8.290 nan 0.000 0.527 7111 V N 1.174 121.108 119.914 0.033 0.000 2.581 7111 V HA 0.543 4.662 4.120 -0.001 0.000 0.303 7111 V C 0.024 176.098 176.094 -0.034 0.000 1.041 7111 V CA -0.824 61.476 62.300 0.001 0.000 0.907 7111 V CB 1.644 33.455 31.823 -0.019 0.000 0.994 7111 V HN 0.729 nan 8.190 nan 0.000 0.442 7112 Q N 1.279 121.048 119.800 -0.051 0.000 2.237 7112 Q HA 0.241 4.580 4.340 -0.001 0.000 0.219 7112 Q C 1.655 177.599 176.000 -0.092 0.000 0.999 7112 Q CA 0.344 56.081 55.803 -0.111 0.000 0.959 7112 Q CB 1.055 29.723 28.738 -0.117 0.000 1.173 7112 Q HN 0.950 nan 8.270 nan 0.000 0.527 7113 S N 0.841 116.473 115.700 -0.114 0.000 2.380 7113 S HA -0.208 4.262 4.470 -0.001 0.000 0.229 7113 S C 1.033 175.604 174.600 -0.048 0.000 1.043 7113 S CA 1.965 60.120 58.200 -0.075 0.000 1.038 7113 S CB -0.318 62.840 63.200 -0.070 0.000 0.872 7113 S HN 0.766 nan 8.310 nan 0.000 0.456 7114 N N 0.823 119.495 118.700 -0.047 0.000 2.268 7114 N HA 0.236 4.976 4.740 -0.001 0.000 0.204 7114 N C 1.274 176.767 175.510 -0.027 0.000 1.124 7114 N CA 0.761 53.793 53.050 -0.030 0.000 0.838 7114 N CB 0.044 38.516 38.487 -0.025 0.000 0.994 7114 N HN 0.741 nan 8.380 nan 0.000 0.489 7115 G N 0.289 109.070 108.800 -0.032 0.000 2.234 7115 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.235 7115 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.235 7115 G C -0.406 174.474 174.900 -0.035 0.000 0.997 7115 G CA 0.068 45.149 45.100 -0.031 0.000 0.623 7115 G HN 0.451 nan 8.290 nan 0.000 0.514 7116 D N 1.975 122.359 120.400 -0.026 0.000 2.533 7116 D HA 0.397 5.037 4.640 -0.001 0.000 0.236 7116 D C 1.057 177.353 176.300 -0.007 0.000 1.137 7116 D CA 0.575 54.567 54.000 -0.014 0.000 0.867 7116 D CB 0.457 41.260 40.800 0.005 0.000 1.170 7116 D HN 0.542 nan 8.370 nan 0.000 0.474 7117 Q N 1.150 120.935 119.800 -0.024 0.000 2.337 7117 Q HA 0.335 4.674 4.340 -0.001 0.000 0.270 7117 Q C -0.626 175.413 176.000 0.065 0.000 1.002 7117 Q CA 0.272 56.059 55.803 -0.027 0.000 0.888 7117 Q CB 0.554 29.237 28.738 -0.091 0.000 1.222 7117 Q HN 0.424 nan 8.270 nan 0.000 0.400 7118 F N 3.193 123.090 119.950 -0.089 0.000 2.499 7118 F HA 0.575 5.102 4.527 -0.001 0.000 0.333 7118 F C -1.682 174.064 175.800 -0.089 0.000 1.138 7118 F CA -1.166 56.777 58.000 -0.096 0.000 0.945 7118 F CB 0.955 39.895 39.000 -0.100 0.000 1.181 7118 F HN 0.460 nan 8.300 nan 0.000 0.435 7119 L N 7.070 127.845 121.223 -0.747 0.000 2.476 7119 L HA 0.658 4.998 4.340 -0.001 0.000 0.269 7119 L C -1.415 175.004 176.870 -0.751 0.000 0.965 7119 L CA -0.217 54.295 54.840 -0.546 0.000 0.845 7119 L CB 1.695 43.608 42.059 -0.244 0.000 1.259 7119 L HN 0.760 nan 8.230 nan 0.000 0.403 7120 R N 2.867 122.968 120.500 -0.664 0.000 2.663 7120 R HA 0.456 4.795 4.340 -0.001 0.000 0.267 7120 R C -2.172 174.066 176.300 -0.102 0.000 1.038 7120 R CA -0.742 55.006 56.100 -0.586 0.000 0.886 7120 R CB 1.849 31.358 30.300 -1.318 0.000 1.249 7120 R HN 0.606 nan 8.270 nan 0.000 0.463 7121 Y N 2.325 122.550 120.300 -0.125 0.000 2.468 7121 Y HA 0.721 5.271 4.550 -0.001 0.000 0.342 7121 Y C -1.683 174.200 175.900 -0.028 0.000 1.021 7121 Y CA -0.651 57.400 58.100 -0.081 0.000 1.079 7121 Y CB 1.941 40.197 38.460 -0.340 0.000 1.226 7121 Y HN 0.304 nan 8.280 nan 0.000 0.460 7122 V N 6.840 126.467 119.914 -0.477 0.000 2.777 7122 V HA 0.513 4.633 4.120 -0.001 0.000 0.306 7122 V C -1.743 173.907 176.094 -0.740 0.000 1.112 7122 V CA -0.437 61.572 62.300 -0.485 0.000 0.917 7122 V CB 1.658 33.259 31.823 -0.370 0.000 1.018 7122 V HN 1.067 nan 8.190 nan 0.000 0.426 7123 N N 4.778 123.145 118.700 -0.554 0.000 2.906 7123 N HA 0.423 5.162 4.740 -0.001 0.000 0.327 7123 N C 0.916 176.273 175.510 -0.256 0.000 1.344 7123 N CA -0.302 52.495 53.050 -0.421 0.000 0.823 7123 N CB 0.724 39.052 38.487 -0.265 0.000 1.351 7123 N HN 0.736 nan 8.380 nan 0.000 0.604 7124 L N -2.405 118.658 121.223 -0.267 0.000 2.353 7124 L HA 0.131 4.471 4.340 -0.001 0.000 0.220 7124 L C 1.078 177.805 176.870 -0.239 0.000 1.133 7124 L CA 1.256 55.915 54.840 -0.302 0.000 0.798 7124 L CB -0.468 41.263 42.059 -0.547 0.000 0.922 7124 L HN 0.414 nan 8.230 nan 0.000 0.445 7125 L N 0.300 121.423 121.223 -0.167 0.000 2.446 7125 L HA 0.274 4.614 4.340 -0.001 0.000 0.219 7125 L C 1.716 178.608 176.870 0.036 0.000 1.116 7125 L CA 0.703 55.495 54.840 -0.080 0.000 0.844 7125 L CB -0.221 41.818 42.059 -0.033 0.000 0.970 7125 L HN 0.648 nan 8.230 nan 0.000 0.457 7126 G N -0.207 108.604 108.800 0.017 0.000 2.179 7126 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 7126 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 7126 G C 0.292 175.218 174.900 0.044 0.000 0.990 7126 G CA -0.078 45.083 45.100 0.101 0.000 0.646 7126 G HN 0.039 nan 8.290 nan 0.000 0.517 7127 V N 2.549 122.491 119.914 0.046 0.000 2.599 7127 V HA 0.465 4.584 4.120 -0.001 0.000 0.300 7127 V C 0.955 177.077 176.094 0.047 0.000 1.034 7127 V CA 1.222 63.572 62.300 0.084 0.000 1.115 7127 V CB 0.905 32.829 31.823 0.168 0.000 0.934 7127 V HN 0.793 nan 8.190 nan 0.000 0.485 7128 T N 3.480 118.090 114.554 0.093 0.000 2.886 7128 T HA 0.814 5.164 4.350 -0.001 0.000 0.292 7128 T C -0.972 173.829 174.700 0.169 0.000 1.012 7128 T CA -0.697 61.472 62.100 0.115 0.000 0.982 7128 T CB 1.745 70.750 68.868 0.228 0.000 1.018 7128 T HN 0.736 nan 8.240 nan 0.000 0.451 7129 Y N -1.417 119.000 120.300 0.196 0.000 2.656 7129 Y HA 0.842 5.391 4.550 -0.001 0.000 0.334 7129 Y C -1.016 174.876 175.900 -0.013 0.000 1.179 7129 Y CA -1.441 56.693 58.100 0.057 0.000 1.050 7129 Y CB 1.182 39.647 38.460 0.007 0.000 1.308 7129 Y HN 0.768 nan 8.280 nan 0.000 0.456 7130 S N 1.253 117.065 115.700 0.187 0.000 2.572 7130 S HA 0.768 5.237 4.470 -0.001 0.000 0.274 7130 S C -1.551 173.049 174.600 0.000 0.000 1.150 7130 S CA -0.249 57.956 58.200 0.007 0.000 0.944 7130 S CB 1.412 64.525 63.200 -0.146 0.000 1.071 7130 S HN 1.006 nan 8.310 nan 0.000 0.479 7131 S N 3.168 118.854 115.700 -0.022 0.000 2.618 7131 S HA 0.691 5.161 4.470 -0.001 0.000 0.277 7131 S C -2.360 172.208 174.600 -0.054 0.000 1.138 7131 S CA -1.487 56.686 58.200 -0.045 0.000 0.844 7131 S CB 1.444 64.609 63.200 -0.059 0.000 1.127 7131 S HN 0.473 nan 8.310 nan 0.000 0.474 7132 P HA 0.091 nan 4.420 nan 0.000 0.231 7132 P C -0.088 177.195 177.300 -0.029 0.000 1.158 7132 P CA 0.925 64.001 63.100 -0.040 0.000 0.763 7132 P CB 0.121 31.803 31.700 -0.030 0.000 0.805 7133 T N -0.501 114.035 114.554 -0.031 0.000 3.237 7133 T HA 0.515 4.865 4.350 -0.001 0.000 0.319 7133 T C -1.748 172.938 174.700 -0.023 0.000 1.037 7133 T CA -0.562 61.526 62.100 -0.021 0.000 1.048 7133 T CB 0.192 69.046 68.868 -0.023 0.000 1.081 7133 T HN -0.259 nan 8.240 nan 0.000 0.455 7134 L N 3.653 124.876 121.223 -0.001 0.000 2.408 7134 L HA 0.951 5.290 4.340 -0.001 0.000 0.268 7134 L C -0.370 176.521 176.870 0.035 0.000 0.986 7134 L CA -1.061 53.791 54.840 0.020 0.000 0.820 7134 L CB 2.017 44.114 42.059 0.063 0.000 1.303 7134 L HN 0.818 nan 8.230 nan 0.000 0.411 7135 A N 1.043 123.874 122.820 0.019 0.000 2.572 7135 A HA 0.817 5.137 4.320 -0.001 0.000 0.295 7135 A C -0.486 177.140 177.584 0.070 0.000 1.072 7135 A CA -0.451 51.619 52.037 0.056 0.000 0.691 7135 A CB 2.094 21.112 19.000 0.030 0.000 1.291 7135 A HN 0.649 nan 8.150 nan 0.000 0.404 7136 T N -1.121 113.531 114.554 0.164 0.000 2.936 7136 T HA 0.673 5.022 4.350 -0.001 0.000 0.282 7136 T C 1.263 176.080 174.700 0.195 0.000 1.003 7136 T CA 0.649 62.903 62.100 0.256 0.000 1.005 7136 T CB 1.023 70.076 68.868 0.308 0.000 1.097 7136 T HN 2.565 nan 8.240 nan 0.000 0.532 7137 G N 1.237 110.166 108.800 0.216 0.000 2.678 7137 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.362 7137 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.362 7137 G C 0.675 175.708 174.900 0.222 0.000 1.169 7137 G CA 1.303 46.533 45.100 0.217 0.000 0.933 7137 G HN 1.031 nan 8.290 nan 0.000 0.587 7138 F N 2.604 122.637 119.950 0.138 0.000 2.234 7138 F HA 0.246 4.773 4.527 -0.000 0.000 0.296 7138 F C 2.719 178.598 175.800 0.132 0.000 1.089 7138 F CA 1.946 60.046 58.000 0.166 0.000 1.343 7138 F CB -0.433 38.646 39.000 0.131 0.000 1.040 7138 F HN 0.413 nan 8.300 nan 0.000 0.498 7139 G N -0.045 108.941 108.800 0.310 0.000 2.479 7139 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 7139 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 7139 G C 1.747 176.650 174.900 0.005 0.000 1.115 7139 G CA 0.604 45.808 45.100 0.173 0.000 0.757 7139 G HN 0.537 nan 8.290 nan 0.000 0.560 7140 A N -0.148 122.627 122.820 -0.076 0.000 2.125 7140 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 7140 A C 1.940 179.320 177.584 -0.341 0.000 1.156 7140 A CA 1.811 53.711 52.037 -0.228 0.000 0.671 7140 A CB -0.427 18.382 19.000 -0.318 0.000 0.794 7140 A HN 0.570 nan 8.150 nan 0.000 0.459 7141 H N -2.413 116.545 119.070 -0.187 0.000 2.506 7141 H HA 0.306 4.861 4.556 -0.001 0.000 0.289 7141 H C 1.966 177.186 175.328 -0.182 0.000 1.009 7141 H CA 1.103 57.014 56.048 -0.227 0.000 1.303 7141 H CB 0.228 29.768 29.762 -0.371 0.000 1.453 7141 H HN 0.409 nan 8.280 nan 0.000 0.526 7142 M N -0.915 118.657 119.600 -0.047 0.000 2.653 7142 M HA 0.274 4.753 4.480 -0.001 0.000 0.259 7142 M C 2.236 178.548 176.300 0.019 0.000 1.244 7142 M CA 0.620 55.923 55.300 0.005 0.000 1.163 7142 M CB 0.589 33.230 32.600 0.069 0.000 1.309 7142 M HN 0.230 nan 8.290 nan 0.000 0.509 7143 A N 1.122 123.957 122.820 0.024 0.000 1.897 7143 A HA -0.094 4.226 4.320 -0.001 0.000 0.215 7143 A C 1.889 179.467 177.584 -0.011 0.000 1.181 7143 A CA 1.453 53.499 52.037 0.015 0.000 0.620 7143 A CB -0.643 18.376 19.000 0.031 0.000 0.821 7143 A HN 0.395 nan 8.150 nan 0.000 0.443 7144 N N 0.207 118.887 118.700 -0.032 0.000 2.043 7144 N HA -0.113 4.627 4.740 -0.001 0.000 0.193 7144 N C -0.774 174.713 175.510 -0.039 0.000 1.037 7144 N CA 1.879 54.901 53.050 -0.047 0.000 0.851 7144 N CB -1.572 36.865 38.487 -0.084 0.000 1.027 7144 N HN 0.258 nan 8.380 nan 0.000 0.422 7145 P HA -0.070 nan 4.420 nan 0.000 0.219 7145 P C 1.482 178.769 177.300 -0.020 0.000 1.146 7145 P CA 0.917 64.000 63.100 -0.029 0.000 0.808 7145 P CB -0.021 31.666 31.700 -0.022 0.000 0.779 7146 L N -2.057 119.157 121.223 -0.015 0.000 2.131 7146 L HA -0.058 4.282 4.340 -0.001 0.000 0.206 7146 L C 2.344 179.205 176.870 -0.014 0.000 1.087 7146 L CA 1.013 55.846 54.840 -0.012 0.000 0.767 7146 L CB -0.803 41.251 42.059 -0.008 0.000 0.917 7146 L HN -0.062 nan 8.230 nan 0.000 0.441 7147 L N -0.650 120.564 121.223 -0.016 0.000 2.131 7147 L HA -0.063 4.277 4.340 -0.001 0.000 0.206 7147 L C 2.420 179.282 176.870 -0.014 0.000 1.087 7147 L CA 0.810 55.642 54.840 -0.013 0.000 0.767 7147 L CB -0.409 41.644 42.059 -0.010 0.000 0.917 7147 L HN 0.148 nan 8.230 nan 0.000 0.441 7148 R N 0.214 120.701 120.500 -0.022 0.000 2.339 7148 R HA -0.101 4.239 4.340 -0.001 0.000 0.199 7148 R C 1.881 178.169 176.300 -0.020 0.000 1.018 7148 R CA 0.489 56.574 56.100 -0.024 0.000 1.036 7148 R CB -0.060 30.219 30.300 -0.035 0.000 0.899 7148 R HN 0.235 nan 8.270 nan 0.000 0.473 7149 K N -0.006 120.384 120.400 -0.016 0.000 2.393 7149 K HA 0.050 4.370 4.320 -0.001 0.000 0.193 7149 K C 1.186 177.780 176.600 -0.010 0.000 1.026 7149 K CA 0.212 56.490 56.287 -0.014 0.000 1.064 7149 K CB 0.622 33.114 32.500 -0.013 0.000 0.833 7149 K HN -0.013 nan 8.250 nan 0.000 0.521 7150 V N 0.163 120.072 119.914 -0.008 0.000 2.627 7150 V HA -0.020 4.100 4.120 -0.001 0.000 0.239 7150 V C 0.610 176.704 176.094 0.001 0.000 1.077 7150 V CA 0.595 62.893 62.300 -0.003 0.000 1.103 7150 V CB 1.362 33.184 31.823 -0.001 0.000 0.802 7150 V HN 0.155 nan 8.190 nan 0.000 0.482 7151 V N -1.691 118.223 119.914 0.000 0.000 2.204 7151 V HA 0.467 4.587 4.120 -0.001 0.000 0.264 7151 V C 0.631 176.718 176.094 -0.012 0.000 1.106 7151 V CA -0.263 62.037 62.300 -0.000 0.000 0.947 7151 V CB 0.521 32.349 31.823 0.008 0.000 1.164 7151 V HN 0.236 nan 8.190 nan 0.000 0.461 7152 D N 3.089 123.481 120.400 -0.014 0.000 2.091 7152 D HA -0.037 4.603 4.640 -0.001 0.000 0.199 7152 D C 1.306 177.591 176.300 -0.024 0.000 0.980 7152 D CA 1.358 55.345 54.000 -0.021 0.000 0.831 7152 D CB 0.466 41.254 40.800 -0.020 0.000 0.987 7152 D HN 0.738 nan 8.370 nan 0.000 0.460 7153 R N -0.027 120.461 120.500 -0.019 0.000 2.939 7153 R HA 0.362 4.701 4.340 -0.001 0.000 0.254 7153 R C 0.868 177.158 176.300 -0.017 0.000 1.123 7153 R CA -0.512 55.575 56.100 -0.021 0.000 1.020 7153 R CB 0.301 30.590 30.300 -0.019 0.000 1.206 7153 R HN -0.244 nan 8.270 nan 0.000 0.491 7154 E N 0.505 120.695 120.200 -0.018 0.000 2.110 7154 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 7154 E C 1.384 177.978 176.600 -0.011 0.000 0.988 7154 E CA 2.126 58.517 56.400 -0.017 0.000 0.804 7154 E CB 0.010 29.698 29.700 -0.019 0.000 0.745 7154 E HN 0.735 nan 8.360 nan 0.000 0.458 7155 S N 0.117 115.811 115.700 -0.009 0.000 2.528 7155 S HA -0.149 4.321 4.470 -0.001 0.000 0.244 7155 S C 1.304 175.903 174.600 -0.001 0.000 0.982 7155 S CA 1.062 59.259 58.200 -0.005 0.000 0.953 7155 S CB -0.003 63.194 63.200 -0.006 0.000 0.754 7155 S HN 0.203 nan 8.310 nan 0.000 0.529 7156 D N 1.053 121.452 120.400 -0.000 0.000 2.348 7156 D HA 0.235 4.874 4.640 -0.001 0.000 0.211 7156 D C 1.608 177.917 176.300 0.016 0.000 0.998 7156 D CA 0.207 54.210 54.000 0.005 0.000 0.873 7156 D CB 0.052 40.853 40.800 0.002 0.000 0.925 7156 D HN 0.453 nan 8.370 nan 0.000 0.524 7157 I N 1.318 121.896 120.570 0.013 0.000 2.233 7157 I HA -0.139 4.030 4.170 -0.001 0.000 0.243 7157 I C -0.678 175.462 176.117 0.038 0.000 1.093 7157 I CA 0.925 62.240 61.300 0.025 0.000 1.380 7157 I CB -1.611 36.391 38.000 0.004 0.000 1.067 7157 I HN -0.086 nan 8.210 nan 0.000 0.413 7158 P HA -0.145 nan 4.420 nan 0.000 0.220 7158 P C 1.090 178.413 177.300 0.039 0.000 1.148 7158 P CA 1.399 64.515 63.100 0.027 0.000 0.803 7158 P CB -0.103 31.605 31.700 0.013 0.000 0.782 7159 K N -1.455 118.964 120.400 0.033 0.000 2.486 7159 K HA 0.060 4.380 4.320 -0.001 0.000 0.194 7159 K C 0.179 176.802 176.600 0.037 0.000 1.033 7159 K CA 0.655 56.959 56.287 0.029 0.000 1.004 7159 K CB -0.422 32.089 32.500 0.018 0.000 0.798 7159 K HN 0.090 nan 8.250 nan 0.000 0.495 7160 T N 2.438 117.028 114.554 0.060 0.000 2.891 7160 T HA 0.046 4.395 4.350 -0.001 0.000 0.315 7160 T C 0.278 175.029 174.700 0.084 0.000 1.054 7160 T CA -0.312 61.828 62.100 0.066 0.000 0.958 7160 T CB 0.913 69.835 68.868 0.090 0.000 1.008 7160 T HN 0.250 nan 8.240 nan 0.000 0.521 7161 T N 1.283 115.852 114.554 0.026 0.000 2.595 7161 T HA 0.035 4.385 4.350 -0.001 0.000 0.339 7161 T C 1.617 176.235 174.700 -0.137 0.000 1.059 7161 T CA -0.276 61.821 62.100 -0.004 0.000 1.035 7161 T CB 0.303 69.160 68.868 -0.019 0.000 1.003 7161 T HN 0.191 nan 8.240 nan 0.000 0.540 7162 V N 1.572 121.361 119.914 -0.207 0.000 2.599 7162 V HA 0.001 4.121 4.120 -0.001 0.000 0.245 7162 V C 2.828 178.730 176.094 -0.320 0.000 1.046 7162 V CA 1.256 63.258 62.300 -0.497 0.000 1.065 7162 V CB -0.950 30.658 31.823 -0.359 0.000 0.703 7162 V HN 0.760 nan 8.190 nan 0.000 0.464 7163 Q N 0.113 119.813 119.800 -0.166 0.000 2.291 7163 Q HA -0.073 4.266 4.340 -0.001 0.000 0.205 7163 Q C 2.144 178.085 176.000 -0.099 0.000 0.970 7163 Q CA 1.156 56.893 55.803 -0.110 0.000 0.876 7163 Q CB -0.454 28.247 28.738 -0.063 0.000 0.935 7163 Q HN 0.512 nan 8.270 nan 0.000 0.455 7164 V N 0.225 120.076 119.914 -0.105 0.000 2.323 7164 V HA -0.200 3.919 4.120 -0.001 0.000 0.244 7164 V C 2.107 178.149 176.094 -0.087 0.000 1.041 7164 V CA 1.591 63.846 62.300 -0.075 0.000 1.025 7164 V CB -0.993 30.799 31.823 -0.051 0.000 0.656 7164 V HN 0.416 nan 8.190 nan 0.000 0.451 7165 A N -0.319 122.414 122.820 -0.145 0.000 1.865 7165 A HA -0.307 4.012 4.320 -0.001 0.000 0.217 7165 A C 2.263 179.784 177.584 -0.105 0.000 1.191 7165 A CA 2.244 54.201 52.037 -0.134 0.000 0.623 7165 A CB -0.634 18.215 19.000 -0.252 0.000 0.826 7165 A HN 0.596 nan 8.150 nan 0.000 0.444 7166 E N -0.739 119.379 120.200 -0.136 0.000 2.085 7166 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 7166 E C 2.101 178.678 176.600 -0.039 0.000 0.994 7166 E CA 1.211 57.567 56.400 -0.074 0.000 0.801 7166 E CB -0.130 29.523 29.700 -0.078 0.000 0.743 7166 E HN 0.626 nan 8.360 nan 0.000 0.453 7167 E N -0.197 119.976 120.200 -0.045 0.000 2.085 7167 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 7167 E C 1.883 178.467 176.600 -0.027 0.000 0.994 7167 E CA 1.084 57.468 56.400 -0.027 0.000 0.801 7167 E CB -0.070 29.613 29.700 -0.027 0.000 0.743 7167 E HN 0.325 nan 8.360 nan 0.000 0.453 7168 A N 1.020 123.820 122.820 -0.033 0.000 1.929 7168 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 7168 A C 2.138 179.702 177.584 -0.033 0.000 1.176 7168 A CA 0.701 52.720 52.037 -0.029 0.000 0.628 7168 A CB -0.298 18.688 19.000 -0.024 0.000 0.816 7168 A HN 0.173 nan 8.150 nan 0.000 0.444 7169 I N -0.060 120.491 120.570 -0.031 0.000 2.252 7169 I HA -0.161 4.009 4.170 -0.001 0.000 0.245 7169 I C 2.481 178.555 176.117 -0.071 0.000 1.102 7169 I CA 1.161 62.440 61.300 -0.036 0.000 1.385 7169 I CB -1.032 36.962 38.000 -0.010 0.000 1.064 7169 I HN 0.132 nan 8.210 nan 0.000 0.414 7170 V N 1.416 121.306 119.914 -0.040 0.000 2.407 7170 V HA -0.294 3.826 4.120 -0.001 0.000 0.248 7170 V C 2.375 178.406 176.094 -0.106 0.000 1.055 7170 V CA 1.990 64.259 62.300 -0.052 0.000 1.049 7170 V CB -0.943 30.906 31.823 0.042 0.000 0.662 7170 V HN 0.531 nan 8.190 nan 0.000 0.455 7171 N N 0.644 119.301 118.700 -0.072 0.000 2.025 7171 N HA -0.234 4.506 4.740 -0.001 0.000 0.194 7171 N C 1.968 177.413 175.510 -0.109 0.000 1.044 7171 N CA 1.829 54.832 53.050 -0.078 0.000 0.851 7171 N CB -0.134 38.327 38.487 -0.043 0.000 1.036 7171 N HN 0.423 nan 8.380 nan 0.000 0.422 7172 A N 1.461 124.228 122.820 -0.089 0.000 1.958 7172 A HA -0.188 4.132 4.320 -0.001 0.000 0.221 7172 A C 2.265 179.772 177.584 -0.128 0.000 1.178 7172 A CA 1.655 53.645 52.037 -0.079 0.000 0.642 7172 A CB -0.470 18.498 19.000 -0.054 0.000 0.816 7172 A HN 0.410 nan 8.150 nan 0.000 0.453 7173 M N -1.327 118.132 119.600 -0.234 0.000 2.200 7173 M HA -0.051 4.429 4.480 -0.001 0.000 0.265 7173 M C 2.186 178.312 176.300 -0.290 0.000 1.066 7173 M CA 1.634 56.715 55.300 -0.365 0.000 1.127 7173 M CB -1.168 30.929 32.600 -0.838 0.000 1.379 7173 M HN 0.622 nan 8.290 nan 0.000 0.420 7174 R N 0.455 120.790 120.500 -0.276 0.000 2.082 7174 R HA -0.124 4.216 4.340 -0.001 0.000 0.234 7174 R C 2.057 178.096 176.300 -0.434 0.000 1.136 7174 R CA 1.768 57.678 56.100 -0.317 0.000 0.935 7174 R CB -0.325 29.779 30.300 -0.326 0.000 0.842 7174 R HN 0.164 nan 8.270 nan 0.000 0.430 7175 V N 1.699 121.421 119.914 -0.320 0.000 2.380 7175 V HA -0.269 3.851 4.120 -0.001 0.000 0.251 7175 V C 2.413 178.512 176.094 0.008 0.000 1.063 7175 V CA 1.629 63.840 62.300 -0.149 0.000 1.055 7175 V CB -0.453 31.373 31.823 0.005 0.000 0.657 7175 V HN 0.407 nan 8.190 nan 0.000 0.455 7176 L N -1.398 119.831 121.223 0.010 0.000 2.191 7176 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 7176 L C 2.352 179.270 176.870 0.081 0.000 1.103 7176 L CA 1.931 56.822 54.840 0.085 0.000 0.769 7176 L CB -0.525 41.564 42.059 0.049 0.000 0.908 7176 L HN 0.482 nan 8.230 nan 0.000 0.438 7177 Y N -1.363 118.886 120.300 -0.085 0.000 2.503 7177 Y HA -0.104 4.446 4.550 -0.001 0.000 0.278 7177 Y C 2.266 178.246 175.900 0.132 0.000 1.111 7177 Y CA 0.406 58.496 58.100 -0.016 0.000 1.270 7177 Y CB -0.019 38.417 38.460 -0.039 0.000 1.063 7177 Y HN 0.026 nan 8.280 nan 0.000 0.548 7178 Y N 0.370 120.682 120.300 0.019 0.000 2.145 7178 Y HA -0.124 4.425 4.550 -0.001 0.000 0.286 7178 Y C 2.010 177.890 175.900 -0.033 0.000 1.145 7178 Y CA 1.433 59.493 58.100 -0.067 0.000 1.148 7178 Y CB -0.184 38.219 38.460 -0.095 0.000 0.981 7178 Y HN 0.030 nan 8.280 nan 0.000 0.507 7179 R N -0.835 119.771 120.500 0.176 0.000 2.419 7179 R HA 0.131 4.471 4.340 -0.001 0.000 0.235 7179 R C -0.425 175.891 176.300 0.026 0.000 0.899 7179 R CA 0.088 56.275 56.100 0.146 0.000 1.048 7179 R CB -0.143 30.300 30.300 0.238 0.000 1.182 7179 R HN 0.147 nan 8.270 nan 0.000 0.544 7180 D N 0.489 120.787 120.400 -0.172 0.000 2.274 7180 D HA 0.331 4.970 4.640 -0.001 0.000 0.239 7180 D C 0.678 176.826 176.300 -0.255 0.000 1.104 7180 D CA -0.184 53.477 54.000 -0.564 0.000 0.840 7180 D CB 1.715 42.001 40.800 -0.857 0.000 1.100 7180 D HN 0.064 nan 8.370 nan 0.000 0.477 7181 A N 4.926 127.623 122.820 -0.206 0.000 2.067 7181 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 7181 A C 1.393 178.942 177.584 -0.058 0.000 1.156 7181 A CA 0.531 52.515 52.037 -0.088 0.000 0.683 7181 A CB 0.092 19.065 19.000 -0.045 0.000 0.808 7181 A HN 0.430 nan 8.150 nan 0.000 0.455 7182 R N 0.876 121.323 120.500 -0.087 0.000 2.702 7182 R HA 0.168 4.507 4.340 -0.001 0.000 0.314 7182 R C -0.144 176.157 176.300 0.001 0.000 1.152 7182 R CA 0.439 56.525 56.100 -0.025 0.000 1.097 7182 R CB -0.605 29.688 30.300 -0.011 0.000 1.343 7182 R HN 0.552 nan 8.270 nan 0.000 0.575 7183 S N -1.485 114.231 115.700 0.026 0.000 2.568 7183 S HA 0.568 5.038 4.470 -0.001 0.000 0.302 7183 S C -0.126 174.600 174.600 0.210 0.000 1.082 7183 S CA -0.619 57.641 58.200 0.100 0.000 1.009 7183 S CB 2.651 65.916 63.200 0.109 0.000 1.069 7183 S HN 0.059 nan 8.310 nan 0.000 0.500 7184 S N 0.036 115.829 115.700 0.154 0.000 2.638 7184 S HA 0.440 4.909 4.470 -0.001 0.000 0.298 7184 S C 0.894 175.405 174.600 -0.148 0.000 1.111 7184 S CA -0.871 57.391 58.200 0.104 0.000 1.027 7184 S CB 1.489 64.734 63.200 0.075 0.000 1.064 7184 S HN 0.875 nan 8.310 nan 0.000 0.525 7185 R N 1.928 122.202 120.500 -0.377 0.000 2.153 7185 R HA 0.116 4.455 4.340 -0.001 0.000 0.218 7185 R C -0.352 175.847 176.300 -0.168 0.000 1.072 7185 R CA 0.739 56.422 56.100 -0.695 0.000 0.990 7185 R CB -0.166 29.797 30.300 -0.561 0.000 0.889 7185 R HN 0.559 nan 8.270 nan 0.000 0.452 7186 N N 0.660 119.334 118.700 -0.042 0.000 2.422 7186 N HA 0.171 4.910 4.740 -0.001 0.000 0.264 7186 N C -1.153 174.439 175.510 0.136 0.000 1.063 7186 N CA -0.090 52.975 53.050 0.025 0.000 0.959 7186 N CB 0.826 39.315 38.487 0.003 0.000 1.087 7186 N HN 0.116 nan 8.380 nan 0.000 0.483 7187 F N -0.956 118.951 119.950 -0.072 0.000 2.650 7187 F HA 0.795 5.321 4.527 -0.001 0.000 0.320 7187 F C -0.528 175.235 175.800 -0.061 0.000 1.091 7187 F CA -1.144 56.823 58.000 -0.054 0.000 0.962 7187 F CB 0.956 39.918 39.000 -0.062 0.000 1.363 7187 F HN 0.106 nan 8.300 nan 0.000 0.482 7188 S N 1.559 117.247 115.700 -0.021 0.000 2.536 7188 S HA 0.796 5.266 4.470 -0.001 0.000 0.298 7188 S C -1.449 173.077 174.600 -0.123 0.000 1.083 7188 S CA -0.684 57.392 58.200 -0.208 0.000 0.995 7188 S CB 1.752 64.859 63.200 -0.154 0.000 1.058 7188 S HN 0.875 nan 8.310 nan 0.000 0.488 7189 L N 2.116 123.162 121.223 -0.295 0.000 2.436 7189 L HA 0.868 5.207 4.340 -0.001 0.000 0.268 7189 L C -1.221 175.457 176.870 -0.320 0.000 0.974 7189 L CA -0.429 54.319 54.840 -0.154 0.000 0.826 7189 L CB 1.455 43.528 42.059 0.023 0.000 1.291 7189 L HN 0.784 nan 8.230 nan 0.000 0.406 7190 A N 6.031 128.718 122.820 -0.222 0.000 2.343 7190 A HA 0.800 5.120 4.320 -0.001 0.000 0.316 7190 A C -1.012 176.573 177.584 0.001 0.000 1.104 7190 A CA -0.549 51.392 52.037 -0.161 0.000 0.768 7190 A CB 1.062 19.996 19.000 -0.111 0.000 1.213 7190 A HN 0.665 nan 8.150 nan 0.000 0.456 7191 I N 2.051 122.646 120.570 0.041 0.000 2.460 7191 I HA 0.446 4.616 4.170 -0.001 0.000 0.298 7191 I C -0.663 175.527 176.117 0.121 0.000 0.989 7191 I CA -0.521 60.840 61.300 0.102 0.000 1.173 7191 I CB 1.860 39.915 38.000 0.092 0.000 1.338 7191 I HN 0.509 nan 8.210 nan 0.000 0.456 7192 I N 3.734 124.388 120.570 0.141 0.000 2.698 7192 I HA 0.228 4.397 4.170 -0.001 0.000 0.276 7192 I C -0.797 175.364 176.117 0.074 0.000 1.166 7192 I CA -0.406 60.953 61.300 0.098 0.000 1.101 7192 I CB 0.793 38.840 38.000 0.079 0.000 1.305 7192 I HN 0.447 nan 8.210 nan 0.000 0.526 7193 D N 3.977 124.435 120.400 0.096 0.000 2.313 7193 D HA 0.105 4.745 4.640 -0.001 0.000 0.247 7193 D C 1.201 177.514 176.300 0.023 0.000 1.094 7193 D CA -0.212 53.834 54.000 0.076 0.000 0.925 7193 D CB 1.582 42.459 40.800 0.128 0.000 1.188 7193 D HN 0.510 nan 8.370 nan 0.000 0.430 7194 K N 1.573 121.968 120.400 -0.009 0.000 2.525 7194 K HA 0.000 4.320 4.320 -0.001 0.000 0.192 7194 K C 0.288 176.891 176.600 0.006 0.000 1.029 7194 K CA 0.704 56.984 56.287 -0.012 0.000 1.029 7194 K CB 0.301 32.782 32.500 -0.031 0.000 0.814 7194 K HN 0.151 nan 8.250 nan 0.000 0.503 7195 N N 0.745 119.459 118.700 0.023 0.000 2.606 7195 N HA -0.046 4.694 4.740 -0.001 0.000 0.208 7195 N C 1.297 176.826 175.510 0.031 0.000 1.046 7195 N CA 1.604 54.669 53.050 0.026 0.000 0.891 7195 N CB 0.200 38.706 38.487 0.033 0.000 1.344 7195 N HN 0.337 nan 8.380 nan 0.000 0.437 7196 T N -1.432 113.148 114.554 0.043 0.000 3.107 7196 T HA 0.407 4.756 4.350 -0.001 0.000 0.249 7196 T C 1.155 175.881 174.700 0.044 0.000 1.096 7196 T CA 0.365 62.491 62.100 0.043 0.000 1.012 7196 T CB 0.192 69.092 68.868 0.052 0.000 0.977 7196 T HN 0.398 nan 8.240 nan 0.000 0.527 7197 G N 1.653 110.478 108.800 0.043 0.000 2.562 7197 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.250 7197 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.250 7197 G C -0.563 174.373 174.900 0.060 0.000 1.269 7197 G CA -0.276 44.849 45.100 0.042 0.000 0.919 7197 G HN 0.759 nan 8.290 nan 0.000 0.574 7198 L N 1.297 122.558 121.223 0.064 0.000 2.278 7198 L HA 0.651 4.991 4.340 -0.001 0.000 0.287 7198 L C 0.505 177.441 176.870 0.110 0.000 1.072 7198 L CA 0.319 55.216 54.840 0.095 0.000 0.819 7198 L CB 0.962 43.079 42.059 0.097 0.000 1.176 7198 L HN 0.652 nan 8.230 nan 0.000 0.435 7199 T N 6.214 120.839 114.554 0.119 0.000 2.842 7199 T HA 0.322 4.672 4.350 -0.001 0.000 0.308 7199 T C -0.790 173.991 174.700 0.136 0.000 1.041 7199 T CA 0.026 62.192 62.100 0.111 0.000 0.964 7199 T CB 0.006 68.915 68.868 0.069 0.000 0.972 7199 T HN 0.363 nan 8.240 nan 0.000 0.460 7200 F N 4.217 124.175 119.950 0.013 0.000 2.375 7200 F HA 0.428 4.954 4.527 -0.001 0.000 0.361 7200 F C 0.082 175.876 175.800 -0.009 0.000 1.117 7200 F CA -0.952 57.054 58.000 0.009 0.000 1.037 7200 F CB 0.716 39.722 39.000 0.011 0.000 1.192 7200 F HN 0.235 nan 8.300 nan 0.000 0.452 7201 K N 6.691 126.959 120.400 -0.220 0.000 2.264 7201 K HA 0.312 4.632 4.320 -0.001 0.000 0.277 7201 K C -0.494 175.978 176.600 -0.214 0.000 1.067 7201 K CA -0.708 55.491 56.287 -0.147 0.000 0.900 7201 K CB 1.668 34.066 32.500 -0.169 0.000 1.124 7201 K HN 0.575 nan 8.250 nan 0.000 0.469 7202 K N 1.306 121.697 120.400 -0.015 0.000 2.090 7202 K HA 0.164 4.483 4.320 -0.001 0.000 0.249 7202 K C -0.122 176.420 176.600 -0.098 0.000 0.995 7202 K CA -0.538 55.752 56.287 0.004 0.000 0.914 7202 K CB 0.613 33.201 32.500 0.147 0.000 1.057 7202 K HN 0.565 nan 8.250 nan 0.000 0.462 7203 N N 0.380 119.015 118.700 -0.109 0.000 2.740 7203 N HA -0.204 4.536 4.740 -0.001 0.000 0.248 7203 N C -1.221 174.166 175.510 -0.205 0.000 1.062 7203 N CA -0.125 52.852 53.050 -0.121 0.000 0.704 7203 N CB -0.739 37.714 38.487 -0.057 0.000 0.968 7203 N HN 0.191 nan 8.380 nan 0.000 0.547 7204 L N 0.487 121.472 121.223 -0.397 0.000 2.468 7204 L HA 0.438 4.778 4.340 -0.001 0.000 0.254 7204 L C 0.670 177.319 176.870 -0.369 0.000 1.171 7204 L CA 0.461 54.989 54.840 -0.520 0.000 0.809 7204 L CB 0.842 42.253 42.059 -1.080 0.000 1.155 7204 L HN 0.162 nan 8.230 nan 0.000 0.473 7205 Q N -0.350 119.339 119.800 -0.186 0.000 2.315 7205 Q HA 0.415 4.755 4.340 -0.001 0.000 0.273 7205 Q C -1.450 174.635 176.000 0.142 0.000 1.053 7205 Q CA -0.902 54.903 55.803 0.003 0.000 0.817 7205 Q CB 2.645 31.372 28.738 -0.019 0.000 1.326 7205 Q HN 0.285 nan 8.270 nan 0.000 0.423 7206 V N 3.081 123.084 119.914 0.148 0.000 2.493 7206 V HA -0.001 4.118 4.120 -0.001 0.000 0.292 7206 V C 0.370 176.512 176.094 0.080 0.000 1.016 7206 V CA 0.562 62.914 62.300 0.086 0.000 1.097 7206 V CB -0.084 31.707 31.823 -0.053 0.000 0.947 7206 V HN 0.607 nan 8.190 nan 0.000 0.479 7207 E N 3.368 123.618 120.200 0.082 0.000 2.316 7207 E HA 0.407 4.756 4.350 -0.001 0.000 0.258 7207 E C 0.191 176.848 176.600 0.093 0.000 0.952 7207 E CA -0.969 55.483 56.400 0.086 0.000 0.818 7207 E CB 0.749 30.489 29.700 0.066 0.000 1.260 7207 E HN 0.648 nan 8.360 nan 0.000 0.416 7208 N N 0.089 118.852 118.700 0.106 0.000 2.725 7208 N HA -0.209 4.530 4.740 -0.001 0.000 0.251 7208 N C -0.418 175.176 175.510 0.140 0.000 1.031 7208 N CA 0.729 53.844 53.050 0.108 0.000 0.720 7208 N CB -1.446 37.086 38.487 0.075 0.000 0.930 7208 N HN 0.480 nan 8.380 nan 0.000 0.543 7209 M N 0.353 120.078 119.600 0.208 0.000 2.233 7209 M HA 0.091 4.571 4.480 -0.001 0.000 0.350 7209 M C 0.766 177.192 176.300 0.210 0.000 1.176 7209 M CA 0.550 56.016 55.300 0.276 0.000 1.150 7209 M CB 0.755 33.646 32.600 0.484 0.000 1.530 7209 M HN -0.100 nan 8.290 nan 0.000 0.459 7210 K N 2.915 123.368 120.400 0.088 0.000 2.292 7210 K HA 0.182 4.502 4.320 -0.001 0.000 0.270 7210 K C -1.014 175.454 176.600 -0.219 0.000 1.062 7210 K CA -0.009 56.298 56.287 0.034 0.000 0.916 7210 K CB 0.742 33.296 32.500 0.090 0.000 1.166 7210 K HN 0.690 nan 8.250 nan 0.000 0.458 7211 W N 0.863 122.124 121.300 -0.065 0.000 2.499 7211 W HA 0.097 4.756 4.660 -0.000 0.000 0.362 7211 W C 1.014 177.312 176.519 -0.370 0.000 0.945 7211 W CA -0.470 56.662 57.345 -0.355 0.000 1.721 7211 W CB 0.351 29.660 29.460 -0.252 0.000 1.156 7211 W HN 0.632 nan 8.180 nan 0.000 0.547 7212 D N 1.184 121.612 120.400 0.046 0.000 2.123 7212 D HA -0.249 4.391 4.640 -0.001 0.000 0.196 7212 D C 1.955 178.261 176.300 0.011 0.000 0.992 7212 D CA 1.836 55.868 54.000 0.053 0.000 0.833 7212 D CB -0.181 40.682 40.800 0.105 0.000 0.954 7212 D HN 0.201 nan 8.370 nan 0.000 0.455 7213 F N -0.528 119.457 119.950 0.058 0.000 2.494 7213 F HA 0.165 4.692 4.527 -0.000 0.000 0.298 7213 F C 1.914 177.743 175.800 0.048 0.000 1.106 7213 F CA 0.590 58.610 58.000 0.033 0.000 1.452 7213 F CB -0.965 38.034 39.000 -0.001 0.000 1.085 7213 F HN -0.021 nan 8.300 nan 0.000 0.569 7214 A N 2.176 124.762 122.820 -0.391 0.000 2.015 7214 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 7214 A C 2.414 179.982 177.584 -0.026 0.000 1.163 7214 A CA 1.579 53.500 52.037 -0.192 0.000 0.646 7214 A CB -0.749 18.127 19.000 -0.206 0.000 0.806 7214 A HN 0.652 nan 8.150 nan 0.000 0.448 7215 K N -0.385 120.007 120.400 -0.015 0.000 2.103 7215 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 7215 K C 0.365 176.984 176.600 0.032 0.000 1.048 7215 K CA 1.620 57.911 56.287 0.007 0.000 0.930 7215 K CB -0.392 32.114 32.500 0.010 0.000 0.716 7215 K HN 0.274 nan 8.250 nan 0.000 0.444 7216 D N 0.794 121.233 120.400 0.065 0.000 2.336 7216 D HA 0.074 4.713 4.640 -0.001 0.000 0.229 7216 D C 0.150 176.494 176.300 0.073 0.000 1.061 7216 D CA 0.403 54.445 54.000 0.070 0.000 0.875 7216 D CB 0.226 41.081 40.800 0.090 0.000 0.904 7216 D HN 0.244 nan 8.370 nan 0.000 0.525 7217 I N 2.746 123.363 120.570 0.078 0.000 2.307 7217 I HA 0.137 4.306 4.170 -0.001 0.000 0.289 7217 I C 0.214 176.358 176.117 0.046 0.000 1.021 7217 I CA -0.325 61.022 61.300 0.078 0.000 1.224 7217 I CB 0.836 38.903 38.000 0.113 0.000 1.376 7217 I HN -0.267 nan 8.210 nan 0.000 0.470 7218 K N 4.685 125.102 120.400 0.029 0.000 2.375 7218 K HA 0.781 5.100 4.320 -0.001 0.000 0.249 7218 K C 0.207 176.797 176.600 -0.016 0.000 0.942 7218 K CA -0.607 55.684 56.287 0.007 0.000 0.806 7218 K CB 2.688 35.183 32.500 -0.008 0.000 1.227 7218 K HN 0.664 nan 8.250 nan 0.000 0.430 7219 G N 1.882 110.662 108.800 -0.034 0.000 2.562 7219 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.250 7219 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.250 7219 G C -0.440 174.448 174.900 -0.021 0.000 1.269 7219 G CA 0.484 45.498 45.100 -0.143 0.000 0.919 7219 G HN 1.031 nan 8.290 nan 0.000 0.574 7220 Y N -2.019 118.289 120.300 0.012 0.000 2.898 7220 Y HA 0.603 5.152 4.550 -0.001 0.000 0.249 7220 Y C 1.048 176.954 175.900 0.010 0.000 1.108 7220 Y CA 0.424 58.532 58.100 0.013 0.000 1.184 7220 Y CB -0.160 38.306 38.460 0.011 0.000 1.245 7220 Y HN 2.058 nan 8.280 nan 0.000 0.611 7221 G N 0.680 109.471 108.800 -0.016 0.000 2.725 7221 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.100 7221 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.100 7221 G C 1.024 175.885 174.900 -0.064 0.000 2.315 7221 G CA 0.350 45.454 45.100 0.006 0.000 1.153 7221 G HN 0.432 nan 8.290 nan 0.000 0.325 7222 T N -0.052 114.434 114.554 -0.114 0.000 2.857 7222 T HA 0.146 4.496 4.350 -0.001 0.000 0.266 7222 T C 1.316 175.941 174.700 -0.125 0.000 1.048 7222 T CA 1.677 63.718 62.100 -0.099 0.000 1.139 7222 T CB -0.203 68.612 68.868 -0.089 0.000 0.874 7222 T HN 0.599 nan 8.240 nan 0.000 0.455 7223 Q N 1.303 120.977 119.800 -0.211 0.000 2.349 7223 Q HA 0.076 4.415 4.340 -0.001 0.000 0.287 7223 Q C 0.746 176.685 176.000 -0.102 0.000 1.044 7223 Q CA 0.498 56.196 55.803 -0.176 0.000 0.918 7223 Q CB 0.559 29.144 28.738 -0.254 0.000 1.242 7223 Q HN 0.403 nan 8.270 nan 0.000 0.405 7224 K N 3.183 123.540 120.400 -0.071 0.000 2.387 7224 K HA 0.234 4.554 4.320 -0.001 0.000 0.197 7224 K C 0.298 176.877 176.600 -0.034 0.000 1.127 7224 K CA 0.010 56.270 56.287 -0.044 0.000 0.950 7224 K CB 0.470 32.950 32.500 -0.034 0.000 1.017 7224 K HN 0.565 nan 8.250 nan 0.000 0.519 7225 I N 0.000 120.548 120.570 -0.037 0.000 2.984 7225 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 7225 I CA 0.000 61.285 61.300 -0.026 0.000 1.566 7225 I CB 0.000 37.986 38.000 -0.024 0.000 1.214 7225 I HN 0.000 nan 8.210 nan 0.000 0.494