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 1u28_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT VDXXXXXXXX XXXXXXXXXX XXXRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE XKTLVMKLED ETVSGTCVTR DGAIVHPALT G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.344 176.300 0.073 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.054 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.068 0.000 1.302 2 K N 1.690 122.154 120.400 0.107 0.000 2.159 2 K HA 0.773 5.095 4.320 0.003 0.000 0.266 2 K C -1.312 175.360 176.600 0.119 0.000 0.975 2 K CA -0.587 55.766 56.287 0.111 0.000 0.865 2 K CB 2.411 34.939 32.500 0.047 0.000 1.087 2 K HN 0.577 nan 8.250 nan 0.000 0.446 3 I N 1.462 122.047 120.570 0.025 0.000 2.465 3 I HA 0.475 4.647 4.170 0.003 0.000 0.291 3 I C -1.375 174.628 176.117 -0.190 0.000 1.014 3 I CA -0.527 60.655 61.300 -0.196 0.000 1.093 3 I CB 1.432 39.060 38.000 -0.620 0.000 1.267 3 I HN 0.757 nan 8.210 nan 0.000 0.431 4 A N 7.641 130.371 122.820 -0.149 0.000 2.355 4 A HA 0.831 5.153 4.320 0.003 0.000 0.317 4 A C -1.284 176.277 177.584 -0.038 0.000 1.094 4 A CA -0.461 51.532 52.037 -0.075 0.000 0.764 4 A CB 1.159 20.146 19.000 -0.022 0.000 1.230 4 A HN 0.583 nan 8.150 nan 0.000 0.448 5 I N 3.968 124.535 120.570 -0.005 0.000 2.439 5 I HA 0.425 4.596 4.170 0.003 0.000 0.283 5 I C -2.244 173.899 176.117 0.043 0.000 1.023 5 I CA -1.618 59.717 61.300 0.059 0.000 1.100 5 I CB 2.200 40.254 38.000 0.090 0.000 1.238 5 I HN 0.453 nan 8.210 nan 0.000 0.445 6 P HA 0.257 nan 4.420 nan 0.000 0.284 6 P C -0.819 176.494 177.300 0.022 0.000 1.292 6 P CA -0.889 62.228 63.100 0.028 0.000 0.800 6 P CB 1.098 32.815 31.700 0.028 0.000 1.188 7 K N 0.508 120.914 120.400 0.010 0.000 2.295 7 K HA 0.082 4.403 4.320 0.003 0.000 0.270 7 K C 0.149 176.744 176.600 -0.008 0.000 1.011 7 K CA -0.205 56.082 56.287 -0.001 0.000 0.953 7 K CB 0.276 32.773 32.500 -0.004 0.000 0.956 7 K HN 0.332 nan 8.250 nan 0.000 0.477 8 E N 3.313 123.500 120.200 -0.022 0.000 2.289 8 E HA 0.052 4.404 4.350 0.003 0.000 0.278 8 E C 0.315 176.899 176.600 -0.028 0.000 1.032 8 E CA 0.117 56.498 56.400 -0.033 0.000 0.854 8 E CB 1.335 31.000 29.700 -0.059 0.000 1.046 8 E HN 0.550 nan 8.360 nan 0.000 0.409 9 R N 1.574 122.060 120.500 -0.024 0.000 2.282 9 R HA 0.117 4.459 4.340 0.003 0.000 0.195 9 R C 0.454 176.740 176.300 -0.023 0.000 0.909 9 R CA -0.185 55.903 56.100 -0.019 0.000 1.039 9 R CB 0.570 30.862 30.300 -0.013 0.000 1.015 9 R HN 0.217 nan 8.270 nan 0.000 0.513 10 R N 2.053 122.535 120.500 -0.030 0.000 2.623 10 R HA 0.085 4.427 4.340 0.003 0.000 0.271 10 R C -2.332 173.950 176.300 -0.030 0.000 1.043 10 R CA -1.526 54.555 56.100 -0.032 0.000 1.083 10 R CB -0.137 30.139 30.300 -0.041 0.000 0.974 10 R HN -0.071 nan 8.270 nan 0.000 0.436 11 P HA -0.028 nan 4.420 nan 0.000 0.260 11 P C 0.667 177.952 177.300 -0.024 0.000 1.185 11 P CA 0.874 63.961 63.100 -0.021 0.000 0.763 11 P CB 0.329 32.019 31.700 -0.017 0.000 0.776 12 G N 2.245 111.030 108.800 -0.026 0.000 2.195 12 G HA2 -0.252 3.709 3.960 0.003 0.000 0.246 12 G HA3 -0.252 3.709 3.960 0.003 0.000 0.246 12 G C 0.212 175.089 174.900 -0.038 0.000 0.984 12 G CA -0.138 44.945 45.100 -0.029 0.000 0.633 12 G HN 0.599 nan 8.290 nan 0.000 0.525 13 E N 1.449 121.623 120.200 -0.043 0.000 2.070 13 E HA 0.476 4.828 4.350 0.003 0.000 0.282 13 E C 0.546 177.112 176.600 -0.056 0.000 1.104 13 E CA -0.254 56.112 56.400 -0.057 0.000 0.876 13 E CB 0.355 30.015 29.700 -0.067 0.000 1.055 13 E HN 0.202 nan 8.360 nan 0.000 0.401 14 D N 3.697 124.063 120.400 -0.057 0.000 2.369 14 D HA 0.075 4.717 4.640 0.003 0.000 0.211 14 D C 0.092 176.357 176.300 -0.058 0.000 1.077 14 D CA 0.071 54.041 54.000 -0.050 0.000 0.842 14 D CB 0.313 41.088 40.800 -0.043 0.000 0.947 14 D HN 0.325 nan 8.370 nan 0.000 0.509 15 R N 0.107 120.555 120.500 -0.086 0.000 2.649 15 R HA 0.516 4.858 4.340 0.003 0.000 0.270 15 R C -0.323 175.909 176.300 -0.112 0.000 1.105 15 R CA -0.363 55.670 56.100 -0.113 0.000 1.193 15 R CB 1.535 31.723 30.300 -0.188 0.000 1.120 15 R HN -0.164 nan 8.270 nan 0.000 0.561 16 V N -0.287 119.564 119.914 -0.105 0.000 3.048 16 V HA 0.463 4.584 4.120 0.003 0.000 0.303 16 V C -1.060 175.020 176.094 -0.024 0.000 1.214 16 V CA -0.502 61.765 62.300 -0.055 0.000 0.984 16 V CB 2.153 33.971 31.823 -0.008 0.000 1.054 16 V HN 0.873 nan 8.190 nan 0.000 0.430 17 A N 5.859 128.708 122.820 0.048 0.000 3.105 17 A HA 0.697 5.019 4.320 0.003 0.000 0.272 17 A C -0.297 177.469 177.584 0.304 0.000 1.466 17 A CA 0.160 52.315 52.037 0.197 0.000 1.101 17 A CB -0.831 18.329 19.000 0.267 0.000 1.065 17 A HN 0.950 nan 8.150 nan 0.000 0.643 18 I N -0.847 119.847 120.570 0.207 0.000 2.947 18 I HA 0.525 4.697 4.170 0.003 0.000 0.301 18 I C -0.596 175.599 176.117 0.131 0.000 1.453 18 I CA 0.009 61.434 61.300 0.207 0.000 0.984 18 I CB 2.284 40.376 38.000 0.154 0.000 1.333 18 I HN 0.233 nan 8.210 nan 0.000 0.475 19 S N 4.221 119.993 115.700 0.120 0.000 2.607 19 S HA 0.698 5.170 4.470 0.003 0.000 0.273 19 S C -2.711 171.928 174.600 0.064 0.000 1.148 19 S CA -1.117 57.129 58.200 0.078 0.000 0.833 19 S CB 1.987 65.230 63.200 0.072 0.000 1.130 19 S HN 0.374 nan 8.310 nan 0.000 0.470 20 P HA -0.096 nan 4.420 nan 0.000 0.216 20 P C 1.373 178.695 177.300 0.038 0.000 1.150 20 P CA 1.300 64.421 63.100 0.035 0.000 0.837 20 P CB 0.091 31.807 31.700 0.026 0.000 0.786 21 E N -0.257 119.967 120.200 0.041 0.000 2.051 21 E HA -0.147 4.204 4.350 0.003 0.000 0.192 21 E C 1.742 178.375 176.600 0.055 0.000 0.991 21 E CA 1.288 57.712 56.400 0.041 0.000 0.799 21 E CB -0.298 29.425 29.700 0.038 0.000 0.748 21 E HN -0.031 nan 8.360 nan 0.000 0.449 22 V N 0.507 120.466 119.914 0.076 0.000 2.548 22 V HA -0.184 3.938 4.120 0.003 0.000 0.249 22 V C 2.384 178.525 176.094 0.077 0.000 1.055 22 V CA 0.992 63.357 62.300 0.109 0.000 1.065 22 V CB 0.050 31.982 31.823 0.183 0.000 0.681 22 V HN 0.190 nan 8.190 nan 0.000 0.462 23 V N 1.566 121.510 119.914 0.051 0.000 2.255 23 V HA -0.327 3.795 4.120 0.003 0.000 0.247 23 V C 2.513 178.619 176.094 0.020 0.000 1.051 23 V CA 2.652 64.960 62.300 0.014 0.000 1.018 23 V CB -0.883 30.948 31.823 0.014 0.000 0.641 23 V HN 0.781 nan 8.190 nan 0.000 0.445 24 K N -0.213 120.205 120.400 0.030 0.000 2.283 24 K HA -0.130 4.191 4.320 0.003 0.000 0.202 24 K C 2.019 178.644 176.600 0.042 0.000 1.048 24 K CA 1.054 57.360 56.287 0.032 0.000 0.948 24 K CB -0.224 32.293 32.500 0.027 0.000 0.742 24 K HN 0.249 nan 8.250 nan 0.000 0.458 25 K N 1.274 121.704 120.400 0.050 0.000 2.062 25 K HA 0.010 4.332 4.320 0.003 0.000 0.205 25 K C 2.157 178.808 176.600 0.086 0.000 1.051 25 K CA 0.955 57.280 56.287 0.065 0.000 0.941 25 K CB -0.246 32.299 32.500 0.074 0.000 0.719 25 K HN 0.232 nan 8.250 nan 0.000 0.440 26 L N 0.721 121.982 121.223 0.063 0.000 2.056 26 L HA -0.156 4.185 4.340 0.003 0.000 0.207 26 L C 2.433 179.424 176.870 0.203 0.000 1.078 26 L CA 0.682 55.571 54.840 0.080 0.000 0.749 26 L CB -0.499 41.460 42.059 -0.166 0.000 0.901 26 L HN -0.119 nan 8.230 nan 0.000 0.433 27 V N 0.249 120.227 119.914 0.107 0.000 2.332 27 V HA -0.240 3.881 4.120 0.003 0.000 0.248 27 V C 2.617 178.756 176.094 0.075 0.000 1.055 27 V CA 2.068 64.422 62.300 0.091 0.000 1.038 27 V CB -1.278 30.574 31.823 0.048 0.000 0.651 27 V HN 0.588 nan 8.190 nan 0.000 0.450 28 G N -0.349 108.492 108.800 0.068 0.000 2.462 28 G HA2 -0.202 3.760 3.960 0.003 0.000 0.220 28 G HA3 -0.202 3.760 3.960 0.003 0.000 0.220 28 G C 1.425 176.355 174.900 0.049 0.000 1.121 28 G CA 0.658 45.787 45.100 0.048 0.000 0.758 28 G HN 0.524 nan 8.290 nan 0.000 0.559 29 L N 0.264 121.546 121.223 0.098 0.000 2.599 29 L HA 0.272 4.614 4.340 0.003 0.000 0.230 29 L C 1.912 178.745 176.870 -0.062 0.000 1.141 29 L CA 0.437 55.323 54.840 0.077 0.000 0.877 29 L CB 0.028 42.227 42.059 0.233 0.000 1.009 29 L HN 0.345 nan 8.230 nan 0.000 0.447 30 G N -0.557 108.217 108.800 -0.043 0.000 2.132 30 G HA2 -0.279 3.683 3.960 0.003 0.000 0.228 30 G HA3 -0.279 3.683 3.960 0.003 0.000 0.228 30 G C 0.024 174.795 174.900 -0.215 0.000 1.000 30 G CA -0.557 44.464 45.100 -0.132 0.000 0.693 30 G HN 0.162 nan 8.290 nan 0.000 0.515 31 F N 1.146 121.071 119.950 -0.042 0.000 2.375 31 F HA 0.485 5.013 4.527 0.003 0.000 0.333 31 F C 1.059 176.826 175.800 -0.056 0.000 1.104 31 F CA -0.470 57.494 58.000 -0.061 0.000 1.149 31 F CB 0.866 39.806 39.000 -0.100 0.000 1.190 31 F HN 0.081 nan 8.300 nan 0.000 0.533 32 E N 1.946 122.232 120.200 0.143 0.000 2.194 32 E HA 0.346 4.698 4.350 0.003 0.000 0.284 32 E C -1.098 175.537 176.600 0.058 0.000 1.035 32 E CA -0.525 55.919 56.400 0.074 0.000 0.836 32 E CB 1.550 31.274 29.700 0.039 0.000 1.070 32 E HN 0.224 nan 8.360 nan 0.000 0.401 33 V N 5.661 125.584 119.914 0.013 0.000 2.347 33 V HA 0.351 4.472 4.120 0.003 0.000 0.280 33 V C -0.078 175.995 176.094 -0.035 0.000 1.021 33 V CA -0.519 61.753 62.300 -0.047 0.000 0.847 33 V CB 0.647 32.428 31.823 -0.071 0.000 0.990 33 V HN 0.555 nan 8.190 nan 0.000 0.444 34 I N 5.528 126.071 120.570 -0.045 0.000 2.433 34 I HA 0.658 4.830 4.170 0.003 0.000 0.292 34 I C -0.474 175.627 176.117 -0.026 0.000 1.001 34 I CA -0.867 60.418 61.300 -0.025 0.000 1.119 34 I CB 2.078 40.069 38.000 -0.015 0.000 1.289 34 I HN 0.448 nan 8.210 nan 0.000 0.438 35 V N 5.329 125.236 119.914 -0.011 0.000 2.735 35 V HA 0.445 4.567 4.120 0.003 0.000 0.310 35 V C -0.315 175.781 176.094 0.004 0.000 1.061 35 V CA -0.449 61.850 62.300 -0.001 0.000 0.913 35 V CB 1.990 33.817 31.823 0.007 0.000 1.005 35 V HN 0.891 nan 8.190 nan 0.000 0.428 36 E N 3.679 123.883 120.200 0.007 0.000 2.414 36 E HA 0.174 4.526 4.350 0.003 0.000 0.263 36 E C 0.029 176.633 176.600 0.006 0.000 1.000 36 E CA -0.237 56.167 56.400 0.007 0.000 0.914 36 E CB 0.706 30.411 29.700 0.008 0.000 0.948 36 E HN 0.871 nan 8.360 nan 0.000 0.444 37 Q N 2.763 122.566 119.800 0.004 0.000 2.395 37 Q HA 0.230 4.572 4.340 0.003 0.000 0.271 37 Q C 0.890 176.891 176.000 0.002 0.000 1.026 37 Q CA 0.255 56.060 55.803 0.003 0.000 0.900 37 Q CB 0.717 29.456 28.738 0.002 0.000 1.266 37 Q HN 0.780 nan 8.270 nan 0.000 0.430 38 G N 1.256 110.057 108.800 0.002 0.000 2.189 38 G HA2 -0.379 3.583 3.960 0.003 0.000 0.267 38 G HA3 -0.379 3.583 3.960 0.003 0.000 0.267 38 G C 0.849 175.748 174.900 -0.001 0.000 0.975 38 G CA 0.466 45.566 45.100 -0.000 0.000 0.644 38 G HN 1.203 nan 8.290 nan 0.000 0.537 39 A N -0.018 122.803 122.820 0.002 0.000 1.972 39 A HA 0.381 4.702 4.320 0.003 0.000 0.219 39 A C 2.482 180.066 177.584 -0.001 0.000 1.169 39 A CA 2.215 54.253 52.037 0.002 0.000 0.635 39 A CB -0.456 18.550 19.000 0.010 0.000 0.810 39 A HN 1.588 nan 8.150 nan 0.000 0.446 40 G N -1.327 107.475 108.800 0.003 0.000 3.189 40 G HA2 0.285 4.247 3.960 0.003 0.000 0.225 40 G HA3 0.285 4.247 3.960 0.003 0.000 0.225 40 G C 1.090 175.989 174.900 -0.003 0.000 1.159 40 G CA 0.641 45.742 45.100 0.002 0.000 0.763 40 G HN 0.200 nan 8.290 nan 0.000 0.549 41 V N 1.583 121.494 119.914 -0.005 0.000 2.287 41 V HA -0.139 3.983 4.120 0.003 0.000 0.248 41 V C 3.008 179.096 176.094 -0.011 0.000 1.053 41 V CA 2.410 64.706 62.300 -0.007 0.000 1.027 41 V CB -0.723 31.096 31.823 -0.007 0.000 0.646 41 V HN 0.404 nan 8.190 nan 0.000 0.447 42 G N -1.134 107.656 108.800 -0.016 0.000 2.509 42 G HA2 0.023 3.984 3.960 0.003 0.000 0.218 42 G HA3 0.023 3.984 3.960 0.003 0.000 0.218 42 G C 1.229 176.116 174.900 -0.021 0.000 1.124 42 G CA 0.751 45.838 45.100 -0.021 0.000 0.776 42 G HN 0.651 nan 8.290 nan 0.000 0.547 43 A N -0.368 122.443 122.820 -0.016 0.000 2.465 43 A HA 0.543 4.865 4.320 0.003 0.000 0.255 43 A C 1.404 178.985 177.584 -0.005 0.000 1.274 43 A CA 0.865 52.895 52.037 -0.012 0.000 0.920 43 A CB -0.013 18.981 19.000 -0.011 0.000 1.033 43 A HN 0.582 nan 8.150 nan 0.000 0.516 44 S N -1.084 114.613 115.700 -0.005 0.000 3.587 44 S HA -0.162 4.309 4.470 0.003 0.000 0.337 44 S C -0.031 174.570 174.600 0.002 0.000 1.119 44 S CA 1.120 59.319 58.200 -0.002 0.000 0.976 44 S CB -2.025 61.173 63.200 -0.003 0.000 0.922 44 S HN 0.605 nan 8.310 nan 0.000 0.503 45 I N 2.442 123.015 120.570 0.004 0.000 2.371 45 I HA 0.230 4.401 4.170 0.003 0.000 0.282 45 I C 0.936 177.057 176.117 0.007 0.000 1.031 45 I CA -0.358 60.947 61.300 0.009 0.000 1.180 45 I CB 1.277 39.286 38.000 0.015 0.000 1.336 45 I HN 0.281 nan 8.210 nan 0.000 0.467 46 T N -0.110 114.448 114.554 0.006 0.000 2.828 46 T HA 0.125 4.477 4.350 0.003 0.000 0.290 46 T C 0.893 175.597 174.700 0.007 0.000 1.019 46 T CA -0.601 61.502 62.100 0.005 0.000 1.031 46 T CB 1.303 70.174 68.868 0.004 0.000 1.001 46 T HN 0.388 nan 8.240 nan 0.000 0.531 47 D N 0.707 121.110 120.400 0.005 0.000 2.149 47 D HA -0.103 4.539 4.640 0.003 0.000 0.198 47 D C 1.637 177.941 176.300 0.006 0.000 0.990 47 D CA 1.253 55.257 54.000 0.006 0.000 0.839 47 D CB -0.208 40.594 40.800 0.004 0.000 0.948 47 D HN 0.614 nan 8.370 nan 0.000 0.460 48 D N 0.384 120.787 120.400 0.005 0.000 2.117 48 D HA -0.068 4.574 4.640 0.003 0.000 0.198 48 D C 2.063 178.367 176.300 0.007 0.000 0.982 48 D CA 1.147 55.151 54.000 0.005 0.000 0.828 48 D CB -0.354 40.448 40.800 0.005 0.000 0.967 48 D HN 0.131 nan 8.370 nan 0.000 0.464 49 A N 1.076 123.900 122.820 0.008 0.000 1.892 49 A HA -0.183 4.139 4.320 0.003 0.000 0.218 49 A C 2.096 179.687 177.584 0.012 0.000 1.188 49 A CA 1.114 53.157 52.037 0.010 0.000 0.631 49 A CB -0.676 18.330 19.000 0.010 0.000 0.822 49 A HN 0.135 nan 8.150 nan 0.000 0.447 50 L N 0.014 121.244 121.223 0.012 0.000 2.046 50 L HA -0.127 4.215 4.340 0.003 0.000 0.208 50 L C 2.717 179.593 176.870 0.009 0.000 1.077 50 L CA 2.502 57.350 54.840 0.013 0.000 0.747 50 L CB -1.744 40.322 42.059 0.012 0.000 0.896 50 L HN 0.451 nan 8.230 nan 0.000 0.432 51 T N -0.589 113.969 114.554 0.008 0.000 2.867 51 T HA -0.095 4.257 4.350 0.003 0.000 0.268 51 T C 1.959 176.664 174.700 0.007 0.000 1.057 51 T CA 1.032 63.136 62.100 0.006 0.000 1.136 51 T CB -0.300 68.571 68.868 0.005 0.000 0.874 51 T HN 0.377 nan 8.240 nan 0.000 0.466 52 A N 1.549 124.374 122.820 0.008 0.000 1.972 52 A HA 0.197 4.519 4.320 0.003 0.000 0.219 52 A C 2.587 180.177 177.584 0.010 0.000 1.169 52 A CA 1.594 53.636 52.037 0.008 0.000 0.635 52 A CB -0.935 18.070 19.000 0.008 0.000 0.810 52 A HN 0.519 nan 8.150 nan 0.000 0.446 53 A N -2.083 120.744 122.820 0.012 0.000 2.119 53 A HA 0.368 4.690 4.320 0.003 0.000 0.217 53 A C 1.797 179.390 177.584 0.014 0.000 1.153 53 A CA 1.616 53.662 52.037 0.014 0.000 0.692 53 A CB -0.590 18.420 19.000 0.017 0.000 0.799 53 A HN 1.798 nan 8.150 nan 0.000 0.458 54 G N -3.061 105.746 108.800 0.011 0.000 2.198 54 G HA2 0.270 4.231 3.960 0.003 0.000 0.156 54 G HA3 0.270 4.231 3.960 0.003 0.000 0.156 54 G C 0.260 175.165 174.900 0.008 0.000 1.012 54 G CA 0.087 45.193 45.100 0.011 0.000 0.692 54 G HN 1.337 nan 8.290 nan 0.000 0.492 55 A N -0.069 122.754 122.820 0.005 0.000 2.271 55 A HA 0.849 5.171 4.320 0.003 0.000 0.288 55 A C 0.411 177.996 177.584 0.001 0.000 1.094 55 A CA 0.498 52.535 52.037 -0.001 0.000 0.828 55 A CB 0.861 19.858 19.000 -0.005 0.000 1.091 55 A HN 0.562 nan 8.150 nan 0.000 0.493 56 T N 1.815 116.368 114.554 -0.002 0.000 2.867 56 T HA 0.482 4.834 4.350 0.003 0.000 0.282 56 T C -0.223 174.477 174.700 -0.001 0.000 1.000 56 T CA -0.162 61.938 62.100 0.000 0.000 1.042 56 T CB 0.532 69.400 68.868 0.001 0.000 0.973 56 T HN 0.361 nan 8.240 nan 0.000 0.465 57 I N 2.920 123.491 120.570 0.001 0.000 2.331 57 I HA 0.509 4.681 4.170 0.003 0.000 0.292 57 I C 0.587 176.705 176.117 0.002 0.000 0.998 57 I CA -1.011 60.290 61.300 0.002 0.000 1.267 57 I CB 0.613 38.615 38.000 0.002 0.000 1.386 57 I HN 0.656 nan 8.210 nan 0.000 0.476 58 A N 4.425 127.246 122.820 0.002 0.000 2.303 58 A HA 0.526 4.848 4.320 0.003 0.000 0.317 58 A C 0.987 178.573 177.584 0.003 0.000 1.149 58 A CA -0.134 51.904 52.037 0.002 0.000 0.822 58 A CB 0.851 19.853 19.000 0.003 0.000 1.131 58 A HN 0.796 nan 8.150 nan 0.000 0.493 59 S N 0.576 116.277 115.700 0.003 0.000 2.425 59 S HA 0.058 4.530 4.470 0.003 0.000 0.225 59 S C 0.919 175.520 174.600 0.003 0.000 1.024 59 S CA 1.212 59.413 58.200 0.002 0.000 0.951 59 S CB -0.563 62.639 63.200 0.002 0.000 0.796 59 S HN 1.422 nan 8.310 nan 0.000 0.498 60 T N -3.063 111.493 114.554 0.003 0.000 2.888 60 T HA 0.835 5.187 4.350 0.003 0.000 0.288 60 T C 1.093 175.796 174.700 0.005 0.000 1.063 60 T CA -0.378 61.724 62.100 0.003 0.000 1.010 60 T CB 1.326 70.196 68.868 0.003 0.000 1.214 60 T HN 0.150 nan 8.240 nan 0.000 0.533 61 A N 0.759 123.582 122.820 0.005 0.000 1.877 61 A HA 0.278 4.600 4.320 0.003 0.000 0.216 61 A C 2.603 180.193 177.584 0.009 0.000 1.186 61 A CA 1.932 53.974 52.037 0.008 0.000 0.620 61 A CB -1.593 17.411 19.000 0.008 0.000 0.822 61 A HN 1.363 nan 8.150 nan 0.000 0.443 62 A N -0.842 121.983 122.820 0.008 0.000 1.908 62 A HA -0.256 4.066 4.320 0.003 0.000 0.218 62 A C 2.138 179.727 177.584 0.008 0.000 1.181 62 A CA 1.921 53.963 52.037 0.008 0.000 0.627 62 A CB -0.565 18.439 19.000 0.007 0.000 0.818 62 A HN 0.664 nan 8.150 nan 0.000 0.445 63 Q N -0.984 118.820 119.800 0.007 0.000 2.083 63 Q HA 0.027 4.369 4.340 0.003 0.000 0.198 63 Q C 2.458 178.462 176.000 0.007 0.000 0.969 63 Q CA 1.145 56.952 55.803 0.006 0.000 0.838 63 Q CB -0.369 28.372 28.738 0.005 0.000 0.900 63 Q HN 0.675 nan 8.270 nan 0.000 0.436 64 A N 0.441 123.265 122.820 0.006 0.000 1.917 64 A HA -0.192 4.130 4.320 0.003 0.000 0.219 64 A C 1.757 179.346 177.584 0.007 0.000 1.182 64 A CA 1.425 53.465 52.037 0.005 0.000 0.633 64 A CB -0.349 18.655 19.000 0.006 0.000 0.819 64 A HN 0.268 nan 8.150 nan 0.000 0.448 65 L N -0.782 120.448 121.223 0.012 0.000 2.529 65 L HA 0.106 4.448 4.340 0.003 0.000 0.223 65 L C 2.456 179.336 176.870 0.017 0.000 1.113 65 L CA 1.377 56.227 54.840 0.017 0.000 0.861 65 L CB -0.850 41.221 42.059 0.021 0.000 1.012 65 L HN 0.439 nan 8.230 nan 0.000 0.461 66 S N 0.442 116.150 115.700 0.013 0.000 2.389 66 S HA -0.285 4.187 4.470 0.003 0.000 0.229 66 S C 1.527 176.136 174.600 0.015 0.000 1.048 66 S CA 1.975 60.183 58.200 0.013 0.000 1.117 66 S CB 0.003 63.209 63.200 0.010 0.000 1.020 66 S HN 0.639 nan 8.310 nan 0.000 0.430 67 Q N 0.231 120.040 119.800 0.015 0.000 2.172 67 Q HA 0.494 4.836 4.340 0.003 0.000 0.217 67 Q C -0.196 175.818 176.000 0.022 0.000 0.832 67 Q CA -0.167 55.646 55.803 0.017 0.000 1.010 67 Q CB 0.841 29.587 28.738 0.014 0.000 1.133 67 Q HN 0.547 nan 8.270 nan 0.000 0.489 68 A N 1.063 123.897 122.820 0.024 0.000 2.409 68 A HA 0.092 4.414 4.320 0.003 0.000 0.267 68 A C 0.320 177.931 177.584 0.044 0.000 1.127 68 A CA -0.326 51.728 52.037 0.028 0.000 0.795 68 A CB 0.335 19.344 19.000 0.015 0.000 1.061 68 A HN 0.151 nan 8.150 nan 0.000 0.502 69 D N 1.213 121.650 120.400 0.062 0.000 2.249 69 D HA 0.048 4.690 4.640 0.003 0.000 0.205 69 D C 0.106 176.469 176.300 0.105 0.000 0.962 69 D CA 1.241 55.290 54.000 0.083 0.000 0.860 69 D CB 0.268 41.125 40.800 0.095 0.000 0.955 69 D HN 0.268 nan 8.370 nan 0.000 0.505 70 V N 1.216 121.180 119.914 0.085 0.000 2.709 70 V HA 0.343 4.465 4.120 0.003 0.000 0.308 70 V C -0.244 175.849 176.094 -0.002 0.000 1.062 70 V CA -0.815 61.524 62.300 0.065 0.000 0.901 70 V CB 2.915 34.740 31.823 0.002 0.000 1.003 70 V HN -0.270 nan 8.190 nan 0.000 0.425 71 V N 3.066 123.036 119.914 0.093 0.000 2.588 71 V HA 0.549 4.671 4.120 0.003 0.000 0.304 71 V C -1.300 174.988 176.094 0.324 0.000 1.042 71 V CA -0.586 61.782 62.300 0.114 0.000 0.877 71 V CB 2.157 34.047 31.823 0.111 0.000 0.996 71 V HN 0.829 nan 8.190 nan 0.000 0.425 72 W N 4.909 126.235 121.300 0.044 0.000 2.529 72 W HA 0.778 5.439 4.660 0.003 0.000 0.321 72 W C 0.062 176.623 176.519 0.071 0.000 1.047 72 W CA -1.256 56.130 57.345 0.069 0.000 1.216 72 W CB 1.747 31.241 29.460 0.057 0.000 1.357 72 W HN 0.631 nan 8.180 nan 0.000 0.489 73 K N 0.145 120.716 120.400 0.286 0.000 2.499 73 K HA 0.627 4.948 4.320 0.003 0.000 0.277 73 K C -0.187 176.485 176.600 0.121 0.000 1.025 73 K CA -0.684 55.700 56.287 0.162 0.000 0.900 73 K CB 1.760 34.320 32.500 0.099 0.000 1.494 73 K HN 0.182 nan 8.250 nan 0.000 0.442 74 V N -1.072 118.796 119.914 -0.077 0.000 2.391 74 V HA 0.060 4.182 4.120 0.003 0.000 0.237 74 V C 0.470 176.524 176.094 -0.068 0.000 1.046 74 V CA 0.842 62.938 62.300 -0.340 0.000 1.053 74 V CB -0.218 31.082 31.823 -0.873 0.000 0.704 74 V HN 0.724 nan 8.190 nan 0.000 0.475 75 Q N 1.266 121.017 119.800 -0.081 0.000 2.221 75 Q HA 0.358 4.700 4.340 0.003 0.000 0.242 75 Q C -0.177 175.811 176.000 -0.020 0.000 0.940 75 Q CA -0.781 54.987 55.803 -0.059 0.000 0.896 75 Q CB 1.345 30.026 28.738 -0.095 0.000 1.226 75 Q HN 0.719 nan 8.270 nan 0.000 0.463 76 R N 1.339 121.818 120.500 -0.035 0.000 2.640 76 R HA 0.161 4.503 4.340 0.003 0.000 0.270 76 R C -2.340 173.955 176.300 -0.010 0.000 1.024 76 R CA -1.192 54.901 56.100 -0.012 0.000 1.085 76 R CB -0.466 29.817 30.300 -0.029 0.000 0.963 76 R HN 0.229 nan 8.270 nan 0.000 0.426 77 P HA -0.030 nan 4.420 nan 0.000 0.268 77 P C -0.311 176.987 177.300 -0.004 0.000 1.205 77 P CA 0.209 63.312 63.100 0.005 0.000 0.771 77 P CB 0.630 32.340 31.700 0.017 0.000 0.858 78 M N 1.805 121.401 119.600 -0.006 0.000 2.240 78 M HA 0.165 4.647 4.480 0.003 0.000 0.333 78 M C 1.271 177.568 176.300 -0.005 0.000 1.110 78 M CA 0.448 55.743 55.300 -0.009 0.000 1.173 78 M CB 0.220 32.814 32.600 -0.010 0.000 1.458 78 M HN 0.414 nan 8.290 nan 0.000 0.458 79 T N -1.053 113.497 114.554 -0.007 0.000 2.937 79 T HA 0.621 4.973 4.350 0.003 0.000 0.283 79 T C 0.994 175.691 174.700 -0.004 0.000 1.012 79 T CA -0.490 61.608 62.100 -0.004 0.000 0.997 79 T CB 1.453 70.318 68.868 -0.005 0.000 1.136 79 T HN 0.665 nan 8.240 nan 0.000 0.551 80 A N 0.166 122.985 122.820 -0.003 0.000 1.940 80 A HA -0.091 4.231 4.320 0.003 0.000 0.219 80 A C 2.157 179.739 177.584 -0.004 0.000 1.176 80 A CA 2.095 54.131 52.037 -0.002 0.000 0.631 80 A CB -1.275 17.725 19.000 -0.001 0.000 0.814 80 A HN 0.950 nan 8.150 nan 0.000 0.446 81 E N 0.315 120.512 120.200 -0.004 0.000 2.267 81 E HA -0.151 4.201 4.350 0.003 0.000 0.197 81 E C 1.368 177.964 176.600 -0.006 0.000 0.998 81 E CA 1.399 57.796 56.400 -0.005 0.000 0.830 81 E CB -0.155 29.541 29.700 -0.006 0.000 0.751 81 E HN 0.779 nan 8.360 nan 0.000 0.491 82 E N -1.684 118.512 120.200 -0.007 0.000 2.444 82 E HA 0.217 4.569 4.350 0.003 0.000 0.191 82 E C 0.876 177.471 176.600 -0.008 0.000 1.041 82 E CA 0.305 56.700 56.400 -0.009 0.000 0.883 82 E CB 0.631 30.324 29.700 -0.011 0.000 1.024 82 E HN 0.320 nan 8.360 nan 0.000 0.470 83 G N 1.445 110.241 108.800 -0.006 0.000 2.179 83 G HA2 -0.253 3.709 3.960 0.003 0.000 0.260 83 G HA3 -0.253 3.709 3.960 0.003 0.000 0.260 83 G C 0.403 175.301 174.900 -0.004 0.000 0.977 83 G CA 0.557 45.654 45.100 -0.005 0.000 0.641 83 G HN 0.252 nan 8.290 nan 0.000 0.533 84 T N 0.705 115.257 114.554 -0.005 0.000 3.066 84 T HA 0.406 4.758 4.350 0.003 0.000 0.318 84 T C -1.431 173.268 174.700 -0.002 0.000 0.979 84 T CA -0.442 61.655 62.100 -0.004 0.000 1.025 84 T CB 1.701 70.566 68.868 -0.005 0.000 1.002 84 T HN 0.136 nan 8.240 nan 0.000 0.453 85 D N 2.622 123.022 120.400 -0.001 0.000 2.483 85 D HA 0.146 4.788 4.640 0.003 0.000 0.220 85 D C 1.080 177.383 176.300 0.003 0.000 1.173 85 D CA -0.212 53.789 54.000 0.001 0.000 0.964 85 D CB 0.649 41.450 40.800 0.002 0.000 1.046 85 D HN 0.540 nan 8.370 nan 0.000 0.517 86 E N 1.296 121.499 120.200 0.004 0.000 2.216 86 E HA -0.059 4.292 4.350 0.003 0.000 0.192 86 E C 1.951 178.559 176.600 0.012 0.000 0.988 86 E CA 0.329 56.734 56.400 0.008 0.000 0.834 86 E CB 0.541 30.246 29.700 0.009 0.000 0.772 86 E HN 0.308 nan 8.360 nan 0.000 0.479 87 V N 1.627 121.548 119.914 0.010 0.000 2.407 87 V HA -0.259 3.863 4.120 0.003 0.000 0.248 87 V C 2.340 178.442 176.094 0.013 0.000 1.055 87 V CA 1.850 64.157 62.300 0.013 0.000 1.049 87 V CB -0.609 31.219 31.823 0.008 0.000 0.662 87 V HN 0.299 nan 8.190 nan 0.000 0.455 88 A N -0.555 122.271 122.820 0.010 0.000 2.121 88 A HA -0.074 4.248 4.320 0.003 0.000 0.218 88 A C 1.969 179.559 177.584 0.011 0.000 1.154 88 A CA 1.217 53.260 52.037 0.009 0.000 0.679 88 A CB -0.370 18.634 19.000 0.007 0.000 0.795 88 A HN 0.434 nan 8.150 nan 0.000 0.458 89 L N -0.390 120.840 121.223 0.013 0.000 2.395 89 L HA 0.182 4.524 4.340 0.003 0.000 0.218 89 L C 0.748 177.630 176.870 0.019 0.000 1.130 89 L CA 0.669 55.518 54.840 0.015 0.000 0.826 89 L CB -0.591 41.477 42.059 0.014 0.000 0.941 89 L HN 0.305 nan 8.230 nan 0.000 0.451 90 I N -0.039 120.545 120.570 0.022 0.000 2.474 90 I HA 0.035 4.207 4.170 0.003 0.000 0.287 90 I C 0.884 177.016 176.117 0.025 0.000 1.048 90 I CA -0.212 61.105 61.300 0.028 0.000 1.383 90 I CB 0.548 38.569 38.000 0.035 0.000 1.412 90 I HN -0.002 nan 8.210 nan 0.000 0.531 91 K N 5.880 126.296 120.400 0.028 0.000 2.382 91 K HA 0.030 4.352 4.320 0.003 0.000 0.275 91 K C 0.230 176.845 176.600 0.025 0.000 1.009 91 K CA -0.296 56.006 56.287 0.025 0.000 0.970 91 K CB 0.583 33.099 32.500 0.027 0.000 0.934 91 K HN 0.624 nan 8.250 nan 0.000 0.479 92 E N 2.429 122.642 120.200 0.020 0.000 2.414 92 E HA 0.010 4.362 4.350 0.003 0.000 0.263 92 E C 0.491 177.105 176.600 0.022 0.000 1.000 92 E CA 0.831 57.242 56.400 0.018 0.000 0.914 92 E CB 0.169 29.877 29.700 0.014 0.000 0.948 92 E HN 0.822 nan 8.360 nan 0.000 0.444 93 G N 2.344 111.157 108.800 0.022 0.000 2.179 93 G HA2 -0.321 3.641 3.960 0.003 0.000 0.260 93 G HA3 -0.321 3.641 3.960 0.003 0.000 0.260 93 G C 0.359 175.283 174.900 0.040 0.000 0.977 93 G CA 0.190 45.306 45.100 0.027 0.000 0.641 93 G HN 0.906 nan 8.290 nan 0.000 0.533 94 A N -0.835 122.012 122.820 0.045 0.000 2.280 94 A HA 0.769 5.091 4.320 0.003 0.000 0.268 94 A C 0.401 178.034 177.584 0.082 0.000 1.111 94 A CA 0.396 52.472 52.037 0.065 0.000 0.814 94 A CB 1.031 20.068 19.000 0.061 0.000 1.093 94 A HN 1.141 nan 8.150 nan 0.000 0.498 95 V N 0.596 120.584 119.914 0.124 0.000 2.417 95 V HA 0.460 4.582 4.120 0.003 0.000 0.291 95 V C -0.640 175.577 176.094 0.206 0.000 1.024 95 V CA -0.360 62.049 62.300 0.181 0.000 0.861 95 V CB 1.118 33.105 31.823 0.273 0.000 0.985 95 V HN 0.748 nan 8.190 nan 0.000 0.436 96 L N 6.462 127.804 121.223 0.198 0.000 2.341 96 L HA 0.747 5.089 4.340 0.003 0.000 0.278 96 L C -0.581 176.455 176.870 0.277 0.000 1.005 96 L CA -0.126 54.842 54.840 0.214 0.000 0.818 96 L CB 1.652 43.786 42.059 0.124 0.000 1.259 96 L HN 0.661 nan 8.230 nan 0.000 0.418 97 M N 6.400 126.191 119.600 0.318 0.000 2.190 97 M HA 0.650 5.132 4.480 0.003 0.000 0.312 97 M C -0.831 175.531 176.300 0.103 0.000 0.990 97 M CA -0.510 54.910 55.300 0.199 0.000 0.927 97 M CB 1.636 34.323 32.600 0.145 0.000 1.571 97 M HN 0.887 nan 8.290 nan 0.000 0.427 98 C N -0.766 118.576 119.300 0.069 0.000 3.253 98 C HA 0.414 4.875 4.460 0.003 0.000 0.362 98 C C -0.567 174.517 174.990 0.157 0.000 1.487 98 C CA -1.052 58.052 59.018 0.144 0.000 1.179 98 C CB 1.557 29.391 27.740 0.157 0.000 1.660 98 C HN 0.996 nan 8.230 nan 0.000 0.438 99 H N 1.005 120.169 119.070 0.156 0.000 3.157 99 H HA 0.329 4.887 4.556 0.003 0.000 0.260 99 H C 0.806 176.154 175.328 0.034 0.000 1.232 99 H CA -0.284 55.820 56.048 0.093 0.000 1.488 99 H CB 0.381 30.240 29.762 0.163 0.000 1.548 99 H HN 0.591 nan 8.280 nan 0.000 0.487 100 L N 3.747 125.082 121.223 0.187 0.000 2.240 100 L HA 0.044 4.385 4.340 0.003 0.000 0.211 100 L C 1.644 178.524 176.870 0.017 0.000 1.106 100 L CA 0.854 55.732 54.840 0.064 0.000 0.793 100 L CB -0.092 41.983 42.059 0.026 0.000 0.927 100 L HN 1.021 nan 8.230 nan 0.000 0.446 101 G N -0.005 108.840 108.800 0.075 0.000 2.356 101 G HA2 -0.342 3.620 3.960 0.003 0.000 0.296 101 G HA3 -0.342 3.620 3.960 0.003 0.000 0.296 101 G C 0.998 175.892 174.900 -0.009 0.000 1.022 101 G CA 0.502 45.609 45.100 0.012 0.000 0.961 101 G HN 0.501 nan 8.290 nan 0.000 0.510 102 A N -0.746 122.065 122.820 -0.015 0.000 1.969 102 A HA 0.205 4.527 4.320 0.003 0.000 0.218 102 A C 2.386 179.942 177.584 -0.047 0.000 1.169 102 A CA 1.569 53.580 52.037 -0.043 0.000 0.635 102 A CB -0.135 18.818 19.000 -0.079 0.000 0.810 102 A HN 0.749 nan 8.150 nan 0.000 0.445 103 L N -0.189 121.005 121.223 -0.047 0.000 2.395 103 L HA -0.054 4.288 4.340 0.003 0.000 0.218 103 L C 1.927 178.791 176.870 -0.010 0.000 1.130 103 L CA 1.587 56.409 54.840 -0.029 0.000 0.826 103 L CB -0.403 41.642 42.059 -0.024 0.000 0.941 103 L HN 0.618 nan 8.230 nan 0.000 0.451 104 T N -5.492 109.055 114.554 -0.012 0.000 3.084 104 T HA 0.183 4.535 4.350 0.003 0.000 0.270 104 T C 0.691 175.383 174.700 -0.015 0.000 1.008 104 T CA -0.303 61.791 62.100 -0.009 0.000 0.900 104 T CB 0.112 68.975 68.868 -0.008 0.000 1.084 104 T HN 0.084 nan 8.240 nan 0.000 0.538 105 N N 1.449 120.138 118.700 -0.018 0.000 2.733 105 N HA 0.276 5.018 4.740 0.003 0.000 0.271 105 N C 0.620 176.121 175.510 -0.016 0.000 1.720 105 N CA -0.226 52.813 53.050 -0.019 0.000 0.803 105 N CB 1.318 39.789 38.487 -0.027 0.000 1.208 105 N HN 0.204 nan 8.380 nan 0.000 0.498 106 R N 1.209 121.703 120.500 -0.011 0.000 2.120 106 R HA -0.029 4.313 4.340 0.003 0.000 0.234 106 R C -0.856 175.439 176.300 -0.007 0.000 1.123 106 R CA 1.285 57.380 56.100 -0.007 0.000 0.975 106 R CB -0.402 29.897 30.300 -0.002 0.000 0.866 106 R HN 0.163 nan 8.270 nan 0.000 0.446 107 P HA -0.213 nan 4.420 nan 0.000 0.216 107 P C 1.374 178.669 177.300 -0.008 0.000 1.154 107 P CA 1.123 64.219 63.100 -0.007 0.000 0.865 107 P CB -0.022 31.673 31.700 -0.008 0.000 0.789 108 V N -0.716 119.192 119.914 -0.010 0.000 2.548 108 V HA -0.157 3.965 4.120 0.003 0.000 0.249 108 V C 2.131 178.219 176.094 -0.009 0.000 1.055 108 V CA 1.580 63.875 62.300 -0.009 0.000 1.065 108 V CB -0.782 31.035 31.823 -0.011 0.000 0.681 108 V HN -0.100 nan 8.190 nan 0.000 0.462 109 V N 0.126 120.033 119.914 -0.012 0.000 2.343 109 V HA -0.242 3.880 4.120 0.003 0.000 0.247 109 V C 2.403 178.491 176.094 -0.010 0.000 1.051 109 V CA 2.392 64.684 62.300 -0.014 0.000 1.036 109 V CB -0.697 31.117 31.823 -0.015 0.000 0.654 109 V HN 0.634 nan 8.190 nan 0.000 0.451 110 E N 0.339 120.535 120.200 -0.006 0.000 2.106 110 E HA -0.146 4.206 4.350 0.003 0.000 0.192 110 E C 2.308 178.906 176.600 -0.003 0.000 0.984 110 E CA 1.243 57.641 56.400 -0.004 0.000 0.806 110 E CB -0.326 29.373 29.700 -0.002 0.000 0.750 110 E HN 0.599 nan 8.360 nan 0.000 0.458 111 A N 0.891 123.709 122.820 -0.003 0.000 1.969 111 A HA -0.111 4.211 4.320 0.003 0.000 0.218 111 A C 2.134 179.718 177.584 -0.001 0.000 1.169 111 A CA 0.870 52.906 52.037 -0.002 0.000 0.635 111 A CB -0.447 18.552 19.000 -0.001 0.000 0.810 111 A HN 0.110 nan 8.150 nan 0.000 0.445 112 L N -0.827 120.394 121.223 -0.003 0.000 2.056 112 L HA -0.130 4.212 4.340 0.003 0.000 0.207 112 L C 2.742 179.608 176.870 -0.006 0.000 1.078 112 L CA 1.652 56.490 54.840 -0.004 0.000 0.749 112 L CB -0.952 41.102 42.059 -0.008 0.000 0.901 112 L HN 0.301 nan 8.230 nan 0.000 0.433 113 T N -0.359 114.189 114.554 -0.009 0.000 2.720 113 T HA -0.227 4.125 4.350 0.003 0.000 0.268 113 T C 1.886 176.584 174.700 -0.003 0.000 1.037 113 T CA 1.385 63.480 62.100 -0.008 0.000 1.144 113 T CB -0.158 68.706 68.868 -0.007 0.000 0.864 113 T HN 0.263 nan 8.240 nan 0.000 0.444 114 K N 0.560 120.959 120.400 -0.001 0.000 2.209 114 K HA 0.019 4.340 4.320 0.003 0.000 0.204 114 K C 2.128 178.729 176.600 0.002 0.000 1.048 114 K CA 0.869 57.157 56.287 0.001 0.000 0.940 114 K CB -0.012 32.489 32.500 0.001 0.000 0.729 114 K HN 0.213 nan 8.250 nan 0.000 0.451 115 R N 0.685 121.187 120.500 0.003 0.000 2.356 115 R HA 0.109 4.451 4.340 0.003 0.000 0.234 115 R C -0.296 176.008 176.300 0.006 0.000 0.929 115 R CA 0.063 56.166 56.100 0.006 0.000 1.084 115 R CB 0.223 30.528 30.300 0.009 0.000 1.105 115 R HN 0.086 nan 8.270 nan 0.000 0.515 116 K N 0.683 121.085 120.400 0.003 0.000 3.069 116 K HA -0.187 4.135 4.320 0.003 0.000 0.267 116 K C -0.375 176.227 176.600 0.002 0.000 1.082 116 K CA 0.720 57.008 56.287 0.002 0.000 0.782 116 K CB -1.671 30.833 32.500 0.006 0.000 1.230 116 K HN 0.296 nan 8.250 nan 0.000 0.488 117 I N 1.167 121.736 120.570 -0.001 0.000 2.474 117 I HA 0.021 4.193 4.170 0.003 0.000 0.287 117 I C 0.893 176.991 176.117 -0.031 0.000 1.048 117 I CA -0.007 61.292 61.300 -0.001 0.000 1.383 117 I CB 1.260 39.264 38.000 0.007 0.000 1.412 117 I HN -0.043 nan 8.210 nan 0.000 0.531 118 T N 6.263 120.792 114.554 -0.041 0.000 2.727 118 T HA 0.516 4.868 4.350 0.003 0.000 0.298 118 T C -0.007 174.564 174.700 -0.215 0.000 0.942 118 T CA -0.489 61.526 62.100 -0.141 0.000 0.997 118 T CB 0.721 69.521 68.868 -0.114 0.000 0.917 118 T HN 0.661 nan 8.240 nan 0.000 0.487 119 A N 3.835 126.491 122.820 -0.274 0.000 2.304 119 A HA 0.701 5.022 4.320 0.003 0.000 0.323 119 A C -1.239 176.130 177.584 -0.357 0.000 1.195 119 A CA -0.674 51.244 52.037 -0.200 0.000 0.826 119 A CB 0.516 19.463 19.000 -0.087 0.000 1.184 119 A HN 0.797 nan 8.150 nan 0.000 0.496 120 Y N 1.466 121.788 120.300 0.036 0.000 2.402 120 Y HA 0.500 5.051 4.550 0.003 0.000 0.332 120 Y C 0.690 176.525 175.900 -0.109 0.000 0.960 120 Y CA -0.538 57.550 58.100 -0.020 0.000 1.228 120 Y CB 1.652 40.125 38.460 0.021 0.000 1.120 120 Y HN 0.774 nan 8.280 nan 0.000 0.491 121 A N 4.966 127.786 122.820 -0.001 0.000 2.376 121 A HA 0.268 4.590 4.320 0.003 0.000 0.298 121 A C 1.041 178.544 177.584 -0.135 0.000 1.271 121 A CA -0.442 51.564 52.037 -0.053 0.000 0.926 121 A CB 0.121 19.079 19.000 -0.070 0.000 1.141 121 A HN 0.843 nan 8.150 nan 0.000 0.539 122 M N 1.731 121.215 119.600 -0.194 0.000 2.296 122 M HA -0.111 4.370 4.480 0.003 0.000 0.265 122 M C 2.111 178.229 176.300 -0.303 0.000 1.064 122 M CA 1.370 56.463 55.300 -0.344 0.000 1.109 122 M CB -0.847 31.498 32.600 -0.425 0.000 1.396 122 M HN 0.953 nan 8.290 nan 0.000 0.430 123 E N 0.989 121.032 120.200 -0.262 0.000 2.333 123 E HA -0.154 4.197 4.350 0.003 0.000 0.198 123 E C 1.437 177.951 176.600 -0.144 0.000 1.007 123 E CA 0.975 57.223 56.400 -0.254 0.000 0.845 123 E CB -0.707 28.860 29.700 -0.221 0.000 0.766 123 E HN 0.511 nan 8.360 nan 0.000 0.507 124 L N 0.804 121.952 121.223 -0.125 0.000 2.629 124 L HA 0.227 4.569 4.340 0.003 0.000 0.230 124 L C 0.959 177.794 176.870 -0.058 0.000 1.151 124 L CA -0.630 54.163 54.840 -0.078 0.000 0.924 124 L CB -0.282 41.722 42.059 -0.092 0.000 1.137 124 L HN 0.060 nan 8.230 nan 0.000 0.457 125 M N 2.684 122.219 119.600 -0.109 0.000 2.260 125 M HA 0.125 4.607 4.480 0.003 0.000 0.348 125 M C -2.014 174.267 176.300 -0.030 0.000 1.342 125 M CA -1.543 53.704 55.300 -0.088 0.000 1.040 125 M CB 0.032 32.547 32.600 -0.142 0.000 1.810 125 M HN -0.182 nan 8.290 nan 0.000 0.453 126 P HA 0.108 nan 4.420 nan 0.000 0.271 126 P C -0.959 176.345 177.300 0.005 0.000 1.218 126 P CA -0.097 63.014 63.100 0.019 0.000 0.780 126 P CB 0.421 32.145 31.700 0.040 0.000 0.901 127 R N 3.034 123.537 120.500 0.004 0.000 4.496 127 R HA 0.291 4.633 4.340 0.003 0.000 0.211 127 R C 0.460 176.761 176.300 0.002 0.000 1.738 127 R CA -0.222 55.877 56.100 -0.002 0.000 1.528 127 R CB -1.307 28.992 30.300 -0.002 0.000 1.414 127 R HN 0.581 nan 8.270 nan 0.000 0.812 128 I N -3.160 117.412 120.570 0.004 0.000 2.797 128 I HA 0.377 4.549 4.170 0.003 0.000 0.307 128 I C 0.955 177.072 176.117 0.000 0.000 1.033 128 I CA -0.832 60.471 61.300 0.005 0.000 1.071 128 I CB 2.094 40.101 38.000 0.012 0.000 1.255 128 I HN -0.146 nan 8.210 nan 0.000 0.445 129 S N 2.132 117.831 115.700 -0.001 0.000 2.383 129 S HA -0.176 4.296 4.470 0.003 0.000 0.229 129 S C 1.703 176.299 174.600 -0.006 0.000 1.030 129 S CA 1.900 60.097 58.200 -0.005 0.000 1.002 129 S CB -0.505 62.692 63.200 -0.005 0.000 0.829 129 S HN 0.816 nan 8.310 nan 0.000 0.467 130 R N 1.285 121.783 120.500 -0.003 0.000 2.276 130 R HA 0.299 4.641 4.340 0.003 0.000 0.203 130 R C 1.579 177.879 176.300 0.000 0.000 1.017 130 R CA 0.915 57.013 56.100 -0.004 0.000 1.010 130 R CB -0.213 30.084 30.300 -0.005 0.000 0.900 130 R HN 0.303 nan 8.270 nan 0.000 0.469 131 A N 0.818 123.640 122.820 0.005 0.000 2.348 131 A HA 0.112 4.434 4.320 0.003 0.000 0.224 131 A C 1.574 179.148 177.584 -0.017 0.000 1.227 131 A CA -0.287 51.755 52.037 0.008 0.000 0.885 131 A CB 0.088 19.101 19.000 0.023 0.000 0.933 131 A HN 0.340 nan 8.150 nan 0.000 0.506 132 Q N 0.333 120.121 119.800 -0.021 0.000 2.170 132 Q HA -0.158 4.183 4.340 0.003 0.000 0.203 132 Q C 2.215 178.189 176.000 -0.042 0.000 0.976 132 Q CA 1.764 57.548 55.803 -0.032 0.000 0.858 132 Q CB -0.183 28.541 28.738 -0.024 0.000 0.907 132 Q HN 0.830 nan 8.270 nan 0.000 0.433 133 S N -0.359 115.320 115.700 -0.035 0.000 2.481 133 S HA -0.044 4.427 4.470 0.003 0.000 0.231 133 S C 1.609 176.171 174.600 -0.064 0.000 0.996 133 S CA 0.679 58.854 58.200 -0.042 0.000 0.942 133 S CB -0.024 63.159 63.200 -0.028 0.000 0.768 133 S HN 0.297 nan 8.310 nan 0.000 0.520 134 M N 1.359 120.922 119.600 -0.062 0.000 2.383 134 M HA 0.316 4.798 4.480 0.003 0.000 0.247 134 M C -0.217 175.975 176.300 -0.179 0.000 1.117 134 M CA -0.119 55.125 55.300 -0.093 0.000 0.995 134 M CB 0.195 32.802 32.600 0.011 0.000 1.480 134 M HN 0.058 nan 8.290 nan 0.000 0.485 135 D N 1.870 122.177 120.400 -0.155 0.000 2.380 135 D HA 0.173 4.815 4.640 0.003 0.000 0.230 135 D C 0.895 177.072 176.300 -0.205 0.000 1.154 135 D CA -0.260 53.639 54.000 -0.167 0.000 0.859 135 D CB 0.727 41.465 40.800 -0.103 0.000 1.045 135 D HN 0.445 nan 8.370 nan 0.000 0.495 136 I N 0.682 121.076 120.570 -0.294 0.000 2.876 136 I HA -0.034 4.138 4.170 0.003 0.000 0.264 136 I C 1.122 177.140 176.117 -0.165 0.000 1.204 136 I CA -0.028 61.086 61.300 -0.309 0.000 1.485 136 I CB -0.018 37.649 38.000 -0.556 0.000 1.103 136 I HN 0.214 nan 8.210 nan 0.000 0.446 137 L N 1.988 123.110 121.223 -0.167 0.000 1.994 137 L HA -0.175 4.167 4.340 0.003 0.000 0.208 137 L C 3.022 179.866 176.870 -0.043 0.000 1.071 137 L CA 2.435 57.216 54.840 -0.098 0.000 0.745 137 L CB -1.230 40.774 42.059 -0.093 0.000 0.892 137 L HN 0.558 nan 8.230 nan 0.000 0.431 138 S N -1.771 113.900 115.700 -0.049 0.000 2.406 138 S HA -0.127 4.344 4.470 0.003 0.000 0.228 138 S C 2.088 176.679 174.600 -0.015 0.000 1.020 138 S CA 0.901 59.087 58.200 -0.024 0.000 0.965 138 S CB -0.754 62.430 63.200 -0.027 0.000 0.798 138 S HN 0.522 nan 8.310 nan 0.000 0.488 139 S N 1.466 117.149 115.700 -0.029 0.000 2.406 139 S HA -0.069 4.403 4.470 0.003 0.000 0.228 139 S C 1.962 176.578 174.600 0.027 0.000 1.020 139 S CA 0.576 58.769 58.200 -0.011 0.000 0.965 139 S CB -0.429 62.752 63.200 -0.032 0.000 0.798 139 S HN 0.455 nan 8.310 nan 0.000 0.488 140 Q N 1.350 121.177 119.800 0.046 0.000 2.134 140 Q HA 0.214 4.556 4.340 0.003 0.000 0.195 140 Q C 2.553 178.592 176.000 0.065 0.000 0.958 140 Q CA 1.246 57.097 55.803 0.080 0.000 0.840 140 Q CB -0.977 27.838 28.738 0.129 0.000 0.918 140 Q HN 0.580 nan 8.270 nan 0.000 0.467 141 S N 1.958 117.689 115.700 0.052 0.000 2.374 141 S HA -0.171 4.301 4.470 0.003 0.000 0.227 141 S C 1.714 176.349 174.600 0.058 0.000 1.037 141 S CA 1.319 59.550 58.200 0.052 0.000 1.024 141 S CB -0.351 62.873 63.200 0.039 0.000 0.861 141 S HN 0.442 nan 8.310 nan 0.000 0.456 142 N N 1.207 119.936 118.700 0.048 0.000 2.069 142 N HA -0.103 4.639 4.740 0.003 0.000 0.191 142 N C 1.709 177.267 175.510 0.081 0.000 1.031 142 N CA 1.231 54.313 53.050 0.053 0.000 0.852 142 N CB -0.201 38.303 38.487 0.028 0.000 1.018 142 N HN 0.366 nan 8.380 nan 0.000 0.423 143 L N 0.651 121.918 121.223 0.073 0.000 2.141 143 L HA -0.054 4.288 4.340 0.003 0.000 0.209 143 L C 2.666 179.631 176.870 0.159 0.000 1.094 143 L CA 0.850 55.754 54.840 0.105 0.000 0.763 143 L CB -0.443 41.653 42.059 0.060 0.000 0.908 143 L HN 0.197 nan 8.230 nan 0.000 0.437 144 A N 0.439 123.324 122.820 0.108 0.000 1.972 144 A HA -0.103 4.219 4.320 0.003 0.000 0.219 144 A C 2.392 180.031 177.584 0.092 0.000 1.169 144 A CA 1.640 53.732 52.037 0.092 0.000 0.635 144 A CB -1.023 18.021 19.000 0.072 0.000 0.810 144 A HN 0.432 nan 8.150 nan 0.000 0.446 145 G N -1.568 107.294 108.800 0.104 0.000 2.408 145 G HA2 -0.215 3.747 3.960 0.003 0.000 0.217 145 G HA3 -0.215 3.747 3.960 0.003 0.000 0.217 145 G C 1.520 176.481 174.900 0.101 0.000 1.150 145 G CA 1.190 46.347 45.100 0.095 0.000 0.776 145 G HN 0.632 nan 8.290 nan 0.000 0.542 146 Y N 1.254 121.566 120.300 0.021 0.000 2.114 146 Y HA -0.042 4.509 4.550 0.002 0.000 0.284 146 Y C 2.906 178.808 175.900 0.004 0.000 1.143 146 Y CA 1.884 59.990 58.100 0.011 0.000 1.135 146 Y CB -0.198 38.264 38.460 0.003 0.000 0.980 146 Y HN -0.010 nan 8.280 nan 0.000 0.499 147 R N 1.062 121.498 120.500 -0.107 0.000 2.103 147 R HA -0.199 4.143 4.340 0.003 0.000 0.242 147 R C 2.438 178.648 176.300 -0.150 0.000 1.142 147 R CA 1.412 57.408 56.100 -0.174 0.000 0.960 147 R CB -1.344 28.960 30.300 0.007 0.000 0.858 147 R HN 0.585 nan 8.270 nan 0.000 0.439 148 A N -0.015 122.773 122.820 -0.054 0.000 1.917 148 A HA -0.160 4.162 4.320 0.003 0.000 0.219 148 A C 2.482 180.051 177.584 -0.025 0.000 1.182 148 A CA 1.979 54.014 52.037 -0.003 0.000 0.633 148 A CB -0.597 18.423 19.000 0.034 0.000 0.819 148 A HN 0.176 nan 8.150 nan 0.000 0.448 149 V N 0.344 120.203 119.914 -0.092 0.000 2.323 149 V HA -0.200 3.922 4.120 0.003 0.000 0.244 149 V C 2.425 178.393 176.094 -0.210 0.000 1.041 149 V CA 1.558 63.799 62.300 -0.099 0.000 1.025 149 V CB -0.620 31.129 31.823 -0.123 0.000 0.656 149 V HN 0.507 nan 8.190 nan 0.000 0.451 150 I N 0.464 120.838 120.570 -0.326 0.000 2.208 150 I HA -0.214 3.958 4.170 0.003 0.000 0.245 150 I C 2.291 178.349 176.117 -0.099 0.000 1.097 150 I CA 1.708 62.837 61.300 -0.285 0.000 1.363 150 I CB -1.306 36.466 38.000 -0.380 0.000 1.051 150 I HN 0.352 nan 8.210 nan 0.000 0.413 151 D N 0.770 121.135 120.400 -0.059 0.000 2.144 151 D HA -0.104 4.538 4.640 0.003 0.000 0.200 151 D C 2.274 178.662 176.300 0.147 0.000 0.978 151 D CA 1.496 55.530 54.000 0.057 0.000 0.833 151 D CB -0.424 40.428 40.800 0.087 0.000 0.961 151 D HN 0.372 nan 8.370 nan 0.000 0.470 152 G N 0.850 109.718 108.800 0.113 0.000 2.418 152 G HA2 -0.181 3.781 3.960 0.003 0.000 0.217 152 G HA3 -0.181 3.781 3.960 0.003 0.000 0.217 152 G C 1.709 176.773 174.900 0.274 0.000 1.158 152 G CA 1.157 46.361 45.100 0.173 0.000 0.771 152 G HN 0.387 nan 8.290 nan 0.000 0.545 153 A N -0.375 122.563 122.820 0.196 0.000 1.969 153 A HA 0.026 4.347 4.320 0.003 0.000 0.218 153 A C 2.165 179.886 177.584 0.228 0.000 1.169 153 A CA 1.536 53.698 52.037 0.208 0.000 0.635 153 A CB -0.548 18.249 19.000 -0.338 0.000 0.810 153 A HN 0.468 nan 8.150 nan 0.000 0.445 154 Y N 0.640 120.981 120.300 0.068 0.000 2.200 154 Y HA -0.120 4.432 4.550 0.003 0.000 0.290 154 Y C 2.022 177.990 175.900 0.113 0.000 1.137 154 Y CA 1.958 60.098 58.100 0.066 0.000 1.163 154 Y CB 0.163 38.644 38.460 0.034 0.000 0.988 154 Y HN 0.294 nan 8.280 nan 0.000 0.518 155 E N -0.459 119.913 120.200 0.287 0.000 2.481 155 E HA -0.054 4.298 4.350 0.003 0.000 0.195 155 E C -0.432 176.309 176.600 0.234 0.000 1.047 155 E CA 0.129 56.660 56.400 0.219 0.000 0.867 155 E CB -0.258 29.581 29.700 0.232 0.000 0.858 155 E HN 0.200 nan 8.360 nan 0.000 0.513 156 F N 0.884 120.877 119.950 0.072 0.000 2.385 156 F HA 0.416 4.944 4.527 0.002 0.000 0.336 156 F C 0.868 176.683 175.800 0.026 0.000 1.100 156 F CA -1.307 56.734 58.000 0.067 0.000 1.116 156 F CB 1.350 40.432 39.000 0.137 0.000 1.166 156 F HN -0.181 nan 8.300 nan 0.000 0.511 157 A N 6.410 128.974 122.820 -0.427 0.000 2.415 157 A HA 0.356 4.677 4.320 0.003 0.000 0.248 157 A C 0.546 177.799 177.584 -0.552 0.000 1.299 157 A CA -0.204 51.603 52.037 -0.384 0.000 0.899 157 A CB -0.296 18.564 19.000 -0.233 0.000 0.997 157 A HN 0.668 nan 8.150 nan 0.000 0.506 158 R N -0.959 118.948 120.500 -0.988 0.000 2.854 158 R HA 0.688 5.030 4.340 0.003 0.000 0.271 158 R C -0.280 175.902 176.300 -0.197 0.000 0.994 158 R CA -0.455 55.292 56.100 -0.588 0.000 0.945 158 R CB 1.619 31.548 30.300 -0.619 0.000 1.194 158 R HN 0.200 nan 8.270 nan 0.000 0.476 159 A N 0.957 123.769 122.820 -0.013 0.000 2.386 159 A HA 0.221 4.543 4.320 0.003 0.000 0.248 159 A C 0.350 178.111 177.584 0.294 0.000 1.082 159 A CA -0.217 51.911 52.037 0.152 0.000 0.789 159 A CB 0.063 19.117 19.000 0.091 0.000 1.025 159 A HN 0.686 nan 8.150 nan 0.000 0.490 160 F N 1.441 121.466 119.950 0.124 0.000 2.084 160 F HA 0.031 4.560 4.527 0.002 0.000 0.296 160 F C -1.006 174.844 175.800 0.084 0.000 1.111 160 F CA 1.112 59.185 58.000 0.123 0.000 1.224 160 F CB -0.773 38.280 39.000 0.089 0.000 0.991 160 F HN 0.331 nan 8.300 nan 0.000 0.471 161 P HA 0.070 nan 4.420 nan 0.000 0.281 161 P C -0.361 176.989 177.300 0.084 0.000 1.249 161 P CA -0.418 62.763 63.100 0.134 0.000 0.810 161 P CB 0.765 32.536 31.700 0.118 0.000 1.008 162 M N 3.188 122.822 119.600 0.057 0.000 2.248 162 M HA 0.207 4.689 4.480 0.003 0.000 0.345 162 M C -0.872 175.450 176.300 0.037 0.000 1.243 162 M CA 0.981 56.304 55.300 0.038 0.000 1.090 162 M CB -0.231 32.386 32.600 0.028 0.000 1.683 162 M HN 0.253 nan 8.290 nan 0.000 0.450 163 M N 6.650 126.267 119.600 0.028 0.000 2.204 163 M HA 0.421 4.902 4.480 0.003 0.000 0.293 163 M C -1.398 174.911 176.300 0.015 0.000 0.994 163 M CA -0.283 55.030 55.300 0.023 0.000 0.925 163 M CB 2.243 34.856 32.600 0.023 0.000 1.577 163 M HN 0.679 nan 8.290 nan 0.000 0.439 164 M N 3.150 122.758 119.600 0.014 0.000 2.088 164 M HA 0.485 4.966 4.480 0.003 0.000 0.346 164 M C 0.014 176.319 176.300 0.008 0.000 1.111 164 M CA -0.491 54.815 55.300 0.010 0.000 1.017 164 M CB 1.050 33.656 32.600 0.010 0.000 1.568 164 M HN 0.732 nan 8.290 nan 0.000 0.445 165 T N -0.551 114.006 114.554 0.006 0.000 2.831 165 T HA 0.711 5.063 4.350 0.003 0.000 0.287 165 T C 0.859 175.560 174.700 0.003 0.000 1.070 165 T CA -0.336 61.767 62.100 0.005 0.000 1.010 165 T CB 1.702 70.572 68.868 0.003 0.000 1.264 165 T HN 0.578 nan 8.240 nan 0.000 0.532 166 A N 0.250 123.071 122.820 0.002 0.000 1.969 166 A HA 0.371 4.693 4.320 0.003 0.000 0.218 166 A C 2.315 179.899 177.584 0.000 0.000 1.169 166 A CA 1.551 53.588 52.037 0.001 0.000 0.635 166 A CB -1.312 17.689 19.000 0.001 0.000 0.810 166 A HN 1.335 nan 8.150 nan 0.000 0.445 167 A N -1.531 121.288 122.820 -0.001 0.000 2.251 167 A HA 0.499 4.821 4.320 0.003 0.000 0.209 167 A C 1.159 178.742 177.584 -0.003 0.000 1.187 167 A CA 1.116 53.152 52.037 -0.002 0.000 0.823 167 A CB -0.829 18.169 19.000 -0.004 0.000 0.846 167 A HN 1.976 nan 8.150 nan 0.000 0.486 168 G N -2.224 106.575 108.800 -0.001 0.000 2.371 168 G HA2 0.224 4.186 3.960 0.003 0.000 0.663 168 G HA3 0.224 4.186 3.960 0.003 0.000 0.663 168 G C -0.602 174.298 174.900 0.000 0.000 1.311 168 G CA -0.416 44.684 45.100 -0.001 0.000 0.985 168 G HN 0.436 nan 8.290 nan 0.000 0.566 169 T N 0.279 114.834 114.554 0.001 0.000 2.824 169 T HA 0.660 5.011 4.350 0.003 0.000 0.280 169 T C 0.464 175.165 174.700 0.002 0.000 0.995 169 T CA 0.129 62.231 62.100 0.003 0.000 1.009 169 T CB 1.446 70.317 68.868 0.004 0.000 0.955 169 T HN 1.694 nan 8.240 nan 0.000 0.452 170 V N 2.002 121.919 119.914 0.004 0.000 2.435 170 V HA 0.691 4.813 4.120 0.003 0.000 0.290 170 V C -2.510 173.591 176.094 0.011 0.000 1.030 170 V CA -2.741 59.561 62.300 0.003 0.000 0.881 170 V CB 1.019 32.841 31.823 -0.002 0.000 0.983 170 V HN 0.614 nan 8.190 nan 0.000 0.445 171 P HA 0.393 nan 4.420 nan 0.000 0.274 171 P C -2.697 174.616 177.300 0.022 0.000 1.246 171 P CA -1.577 61.531 63.100 0.014 0.000 0.795 171 P CB 0.151 31.858 31.700 0.012 0.000 1.006 172 P HA 0.137 nan 4.420 nan 0.000 0.274 172 P C -0.466 176.824 177.300 -0.017 0.000 1.246 172 P CA -0.180 62.924 63.100 0.008 0.000 0.795 172 P CB 0.272 31.970 31.700 -0.003 0.000 1.006 173 A N 2.427 125.196 122.820 -0.084 0.000 2.371 173 A HA 0.311 4.633 4.320 0.003 0.000 0.257 173 A C 0.324 177.762 177.584 -0.242 0.000 1.089 173 A CA -0.416 51.504 52.037 -0.195 0.000 0.794 173 A CB -0.059 18.610 19.000 -0.552 0.000 1.029 173 A HN 0.445 nan 8.150 nan 0.000 0.488 174 R N 1.124 121.491 120.500 -0.222 0.000 2.295 174 R HA 0.524 4.865 4.340 0.003 0.000 0.324 174 R C -1.354 174.804 176.300 -0.236 0.000 0.968 174 R CA -0.498 55.492 56.100 -0.184 0.000 0.837 174 R CB 1.623 31.855 30.300 -0.114 0.000 1.133 174 R HN 0.438 nan 8.270 nan 0.000 0.450 175 V N 4.811 124.607 119.914 -0.197 0.000 2.555 175 V HA 0.412 4.534 4.120 0.003 0.000 0.302 175 V C -0.335 175.689 176.094 -0.117 0.000 1.038 175 V CA -0.854 61.348 62.300 -0.164 0.000 0.887 175 V CB 2.127 33.876 31.823 -0.123 0.000 0.991 175 V HN 0.614 nan 8.190 nan 0.000 0.434 176 L N 5.063 126.226 121.223 -0.101 0.000 2.342 176 L HA 0.584 4.926 4.340 0.003 0.000 0.276 176 L C -0.969 175.818 176.870 -0.139 0.000 0.997 176 L CA -0.527 54.209 54.840 -0.173 0.000 0.838 176 L CB 1.710 43.646 42.059 -0.205 0.000 1.224 176 L HN 0.465 nan 8.230 nan 0.000 0.416 177 V N 5.087 124.903 119.914 -0.164 0.000 2.385 177 V HA 0.279 4.401 4.120 0.003 0.000 0.269 177 V C -0.298 175.703 176.094 -0.154 0.000 1.043 177 V CA -0.187 62.079 62.300 -0.056 0.000 0.906 177 V CB 0.943 32.765 31.823 -0.002 0.000 0.995 177 V HN 0.418 nan 8.190 nan 0.000 0.467 178 F N 3.216 123.162 119.950 -0.008 0.000 2.391 178 F HA 0.694 5.223 4.527 0.003 0.000 0.359 178 F C 0.906 176.713 175.800 0.013 0.000 1.122 178 F CA -0.041 57.953 58.000 -0.010 0.000 1.120 178 F CB 1.322 40.311 39.000 -0.018 0.000 1.142 178 F HN 0.768 nan 8.300 nan 0.000 0.483 179 G N 2.079 110.974 108.800 0.158 0.000 3.322 179 G HA2 0.030 3.992 3.960 0.003 0.000 0.686 179 G HA3 0.030 3.992 3.960 0.003 0.000 0.686 179 G C -1.133 173.828 174.900 0.101 0.000 1.015 179 G CA -1.047 44.129 45.100 0.126 0.000 0.826 179 G HN 0.648 nan 8.290 nan 0.000 0.538 180 V N 3.674 123.647 119.914 0.098 0.000 2.592 180 V HA 0.628 4.749 4.120 0.003 0.000 0.278 180 V C 1.414 177.546 176.094 0.063 0.000 1.087 180 V CA 0.409 62.761 62.300 0.085 0.000 1.282 180 V CB 0.158 32.046 31.823 0.108 0.000 1.543 180 V HN 1.323 nan 8.190 nan 0.000 0.606 181 G N 0.509 109.344 108.800 0.058 0.000 2.666 181 G HA2 0.334 4.296 3.960 0.003 0.000 0.207 181 G HA3 0.334 4.296 3.960 0.003 0.000 0.207 181 G C 1.147 176.072 174.900 0.041 0.000 1.481 181 G CA 0.267 45.393 45.100 0.044 0.000 1.071 181 G HN 0.106 nan 8.290 nan 0.000 0.572 182 V N 1.059 120.994 119.914 0.035 0.000 2.270 182 V HA -0.127 3.995 4.120 0.003 0.000 0.245 182 V C 3.358 179.480 176.094 0.046 0.000 1.043 182 V CA 2.482 64.802 62.300 0.033 0.000 1.014 182 V CB -1.179 30.658 31.823 0.024 0.000 0.645 182 V HN 0.736 nan 8.190 nan 0.000 0.447 183 A N 0.716 123.567 122.820 0.052 0.000 1.865 183 A HA -0.148 4.174 4.320 0.003 0.000 0.217 183 A C 2.445 180.070 177.584 0.068 0.000 1.191 183 A CA 2.221 54.296 52.037 0.063 0.000 0.623 183 A CB -1.432 17.605 19.000 0.063 0.000 0.826 183 A HN 0.538 nan 8.150 nan 0.000 0.444 184 G N -0.302 108.538 108.800 0.066 0.000 2.440 184 G HA2 -0.190 3.772 3.960 0.003 0.000 0.218 184 G HA3 -0.190 3.772 3.960 0.003 0.000 0.218 184 G C 1.574 176.512 174.900 0.064 0.000 1.154 184 G CA 1.103 46.244 45.100 0.069 0.000 0.767 184 G HN 0.438 nan 8.290 nan 0.000 0.552 185 L N -0.366 120.891 121.223 0.058 0.000 2.046 185 L HA -0.109 4.233 4.340 0.003 0.000 0.208 185 L C 2.938 179.844 176.870 0.060 0.000 1.077 185 L CA 1.392 56.264 54.840 0.052 0.000 0.747 185 L CB -0.312 41.771 42.059 0.040 0.000 0.896 185 L HN 0.231 nan 8.230 nan 0.000 0.432 186 Q N -0.143 119.698 119.800 0.068 0.000 2.230 186 Q HA -0.076 4.266 4.340 0.003 0.000 0.202 186 Q C 2.130 178.191 176.000 0.101 0.000 0.963 186 Q CA 1.489 57.344 55.803 0.088 0.000 0.866 186 Q CB -0.093 28.705 28.738 0.100 0.000 0.931 186 Q HN 0.439 nan 8.270 nan 0.000 0.452 187 A N 0.037 122.908 122.820 0.085 0.000 1.898 187 A HA -0.122 4.199 4.320 0.003 0.000 0.216 187 A C 2.023 179.656 177.584 0.081 0.000 1.181 187 A CA 1.324 53.407 52.037 0.078 0.000 0.620 187 A CB -0.634 18.409 19.000 0.071 0.000 0.819 187 A HN 0.442 nan 8.150 nan 0.000 0.442 188 I N -0.139 120.473 120.570 0.071 0.000 2.226 188 I HA -0.284 3.888 4.170 0.003 0.000 0.245 188 I C 2.948 179.109 176.117 0.074 0.000 1.100 188 I CA 1.104 62.444 61.300 0.066 0.000 1.374 188 I CB -0.336 37.696 38.000 0.054 0.000 1.057 188 I HN 0.348 nan 8.210 nan 0.000 0.413 189 A N 0.386 123.250 122.820 0.074 0.000 1.902 189 A HA -0.179 4.143 4.320 0.003 0.000 0.217 189 A C 2.390 180.029 177.584 0.091 0.000 1.181 189 A CA 2.387 54.468 52.037 0.075 0.000 0.623 189 A CB -1.032 18.010 19.000 0.069 0.000 0.818 189 A HN 0.401 nan 8.150 nan 0.000 0.443 190 T N 0.152 114.768 114.554 0.104 0.000 2.812 190 T HA 0.097 4.449 4.350 0.003 0.000 0.264 190 T C 2.225 176.978 174.700 0.089 0.000 1.042 190 T CA 1.295 63.455 62.100 0.100 0.000 1.140 190 T CB -0.380 68.541 68.868 0.089 0.000 0.870 190 T HN 0.559 nan 8.240 nan 0.000 0.445 191 A N 1.697 124.600 122.820 0.140 0.000 1.898 191 A HA -0.072 4.249 4.320 0.003 0.000 0.216 191 A C 2.223 179.947 177.584 0.233 0.000 1.181 191 A CA 1.880 54.087 52.037 0.283 0.000 0.620 191 A CB -0.476 18.685 19.000 0.268 0.000 0.819 191 A HN 0.362 nan 8.150 nan 0.000 0.442 192 K N 0.566 121.048 120.400 0.138 0.000 2.025 192 K HA -0.159 4.163 4.320 0.003 0.000 0.207 192 K C 2.243 178.905 176.600 0.104 0.000 1.049 192 K CA 1.769 58.118 56.287 0.103 0.000 0.933 192 K CB -0.317 32.226 32.500 0.071 0.000 0.714 192 K HN 0.594 nan 8.250 nan 0.000 0.438 193 R N 0.350 120.907 120.500 0.095 0.000 2.152 193 R HA -0.074 4.268 4.340 0.003 0.000 0.232 193 R C 1.811 178.165 176.300 0.089 0.000 1.117 193 R CA 1.413 57.560 56.100 0.080 0.000 0.981 193 R CB -0.606 29.735 30.300 0.070 0.000 0.870 193 R HN 0.207 nan 8.270 nan 0.000 0.451 194 L N 0.403 121.696 121.223 0.117 0.000 2.552 194 L HA 0.138 4.479 4.340 0.003 0.000 0.227 194 L C 1.101 178.102 176.870 0.219 0.000 1.146 194 L CA 0.901 55.825 54.840 0.140 0.000 0.858 194 L CB 0.098 42.199 42.059 0.070 0.000 0.969 194 L HN 0.749 nan 8.230 nan 0.000 0.451 195 G N -0.813 108.098 108.800 0.186 0.000 2.179 195 G HA2 -0.208 3.754 3.960 0.003 0.000 0.220 195 G HA3 -0.208 3.754 3.960 0.003 0.000 0.220 195 G C 0.347 175.314 174.900 0.112 0.000 0.990 195 G CA -0.116 45.068 45.100 0.140 0.000 0.646 195 G HN 0.450 nan 8.290 nan 0.000 0.517 196 A N 0.011 122.911 122.820 0.133 0.000 2.351 196 A HA 0.698 5.020 4.320 0.003 0.000 0.257 196 A C 0.684 178.259 177.584 -0.016 0.000 1.087 196 A CA 0.248 52.271 52.037 -0.024 0.000 0.798 196 A CB 0.900 19.790 19.000 -0.182 0.000 1.033 196 A HN 1.153 nan 8.150 nan 0.000 0.488 197 V N 2.455 122.336 119.914 -0.056 0.000 2.455 197 V HA 0.292 4.413 4.120 0.003 0.000 0.273 197 V C -0.066 175.993 176.094 -0.058 0.000 1.045 197 V CA -0.126 62.149 62.300 -0.041 0.000 0.976 197 V CB 0.771 32.567 31.823 -0.044 0.000 0.993 197 V HN 0.538 nan 8.190 nan 0.000 0.475 198 V N 6.613 126.507 119.914 -0.032 0.000 2.409 198 V HA 0.516 4.638 4.120 0.003 0.000 0.291 198 V C -0.073 175.995 176.094 -0.043 0.000 1.020 198 V CA -0.528 61.751 62.300 -0.036 0.000 0.848 198 V CB 1.566 33.389 31.823 0.001 0.000 0.990 198 V HN 0.824 nan 8.190 nan 0.000 0.430 199 M N 4.037 123.588 119.600 -0.082 0.000 2.508 199 M HA 0.858 5.339 4.480 0.003 0.000 0.327 199 M C -0.259 175.947 176.300 -0.156 0.000 1.160 199 M CA -0.142 55.090 55.300 -0.113 0.000 0.980 199 M CB 1.882 34.391 32.600 -0.152 0.000 1.693 199 M HN 0.837 nan 8.290 nan 0.000 0.452 200 A N 1.514 124.238 122.820 -0.160 0.000 2.498 200 A HA 0.866 5.188 4.320 0.003 0.000 0.298 200 A C -1.038 176.320 177.584 -0.377 0.000 1.075 200 A CA -0.609 51.311 52.037 -0.195 0.000 0.714 200 A CB 1.762 20.759 19.000 -0.006 0.000 1.299 200 A HN 0.672 nan 8.150 nan 0.000 0.407 201 T N 0.130 114.426 114.554 -0.429 0.000 2.909 201 T HA 0.639 4.991 4.350 0.003 0.000 0.299 201 T C -2.029 172.589 174.700 -0.135 0.000 1.073 201 T CA -0.386 61.387 62.100 -0.544 0.000 0.999 201 T CB 1.554 70.104 68.868 -0.530 0.000 1.098 201 T HN 0.772 nan 8.240 nan 0.000 0.477 202 D N 1.525 121.945 120.400 0.033 0.000 2.655 202 D HA 0.243 4.885 4.640 0.003 0.000 0.229 202 D C 1.500 177.929 176.300 0.216 0.000 1.229 202 D CA -0.349 53.763 54.000 0.188 0.000 0.807 202 D CB 2.305 43.261 40.800 0.260 0.000 1.514 202 D HN 0.420 nan 8.370 nan 0.000 0.444 203 V N 1.367 121.365 119.914 0.141 0.000 2.358 203 V HA 0.085 4.207 4.120 0.003 0.000 0.246 203 V C 1.132 177.303 176.094 0.127 0.000 1.047 203 V CA 0.804 63.175 62.300 0.118 0.000 1.035 203 V CB -0.581 31.289 31.823 0.078 0.000 0.658 203 V HN 0.372 nan 8.190 nan 0.000 0.452 204 R N 0.482 121.049 120.500 0.111 0.000 2.570 204 R HA 0.399 4.740 4.340 0.003 0.000 0.277 204 R C 1.598 177.924 176.300 0.043 0.000 1.039 204 R CA 0.374 56.513 56.100 0.066 0.000 1.065 204 R CB 0.774 31.101 30.300 0.044 0.000 0.964 204 R HN 0.500 nan 8.270 nan 0.000 0.428 205 A N 3.075 125.899 122.820 0.007 0.000 1.902 205 A HA -0.163 4.159 4.320 0.003 0.000 0.217 205 A C 2.016 179.529 177.584 -0.119 0.000 1.181 205 A CA 1.821 53.835 52.037 -0.040 0.000 0.623 205 A CB -0.436 18.550 19.000 -0.023 0.000 0.818 205 A HN 0.815 nan 8.150 nan 0.000 0.443 206 A N -1.514 121.254 122.820 -0.087 0.000 2.209 206 A HA 0.071 4.392 4.320 0.003 0.000 0.212 206 A C 2.054 179.552 177.584 -0.143 0.000 1.158 206 A CA 1.732 53.709 52.037 -0.101 0.000 0.742 206 A CB -0.864 18.102 19.000 -0.057 0.000 0.790 206 A HN 0.395 nan 8.150 nan 0.000 0.472 207 T N -0.388 114.064 114.554 -0.171 0.000 2.904 207 T HA -0.085 4.266 4.350 0.003 0.000 0.267 207 T C 1.927 176.389 174.700 -0.396 0.000 1.059 207 T CA 1.532 63.526 62.100 -0.177 0.000 1.137 207 T CB -0.121 68.725 68.868 -0.037 0.000 0.879 207 T HN 0.678 nan 8.240 nan 0.000 0.467 208 K N 1.193 121.113 120.400 -0.800 0.000 2.113 208 K HA -0.167 4.155 4.320 0.003 0.000 0.208 208 K C 2.202 178.543 176.600 -0.432 0.000 1.047 208 K CA 1.630 57.240 56.287 -1.128 0.000 0.928 208 K CB -0.041 31.793 32.500 -1.110 0.000 0.716 208 K HN 0.361 nan 8.250 nan 0.000 0.446 209 E N -0.016 120.018 120.200 -0.277 0.000 2.158 209 E HA -0.170 4.182 4.350 0.003 0.000 0.191 209 E C 2.000 178.541 176.600 -0.097 0.000 0.982 209 E CA 0.783 57.096 56.400 -0.145 0.000 0.823 209 E CB 0.171 29.804 29.700 -0.111 0.000 0.766 209 E HN 0.418 nan 8.360 nan 0.000 0.468 210 Q N -0.091 119.649 119.800 -0.100 0.000 2.050 210 Q HA -0.142 4.200 4.340 0.003 0.000 0.202 210 Q C 2.311 178.296 176.000 -0.024 0.000 0.980 210 Q CA 1.579 57.352 55.803 -0.050 0.000 0.840 210 Q CB 0.055 28.770 28.738 -0.039 0.000 0.898 210 Q HN 0.178 nan 8.270 nan 0.000 0.424 211 V N 1.382 121.282 119.914 -0.024 0.000 2.287 211 V HA -0.298 3.824 4.120 0.003 0.000 0.248 211 V C 1.829 177.937 176.094 0.023 0.000 1.053 211 V CA 2.171 64.491 62.300 0.034 0.000 1.027 211 V CB -0.468 31.432 31.823 0.129 0.000 0.646 211 V HN 0.382 nan 8.190 nan 0.000 0.447 212 E N 0.379 120.577 120.200 -0.004 0.000 2.208 212 E HA -0.141 4.211 4.350 0.003 0.000 0.193 212 E C 2.226 178.826 176.600 -0.001 0.000 0.988 212 E CA 1.255 57.655 56.400 0.001 0.000 0.828 212 E CB -0.211 29.480 29.700 -0.015 0.000 0.763 212 E HN 0.744 nan 8.360 nan 0.000 0.478 213 S N 0.266 115.961 115.700 -0.009 0.000 2.515 213 S HA -0.024 4.447 4.470 0.003 0.000 0.231 213 S C 1.620 176.224 174.600 0.007 0.000 0.987 213 S CA 0.519 58.716 58.200 -0.004 0.000 0.936 213 S CB -0.043 63.150 63.200 -0.011 0.000 0.766 213 S HN 0.189 nan 8.310 nan 0.000 0.528 214 L N 0.443 121.675 121.223 0.014 0.000 2.693 214 L HA 0.414 4.756 4.340 0.003 0.000 0.235 214 L C 1.640 178.527 176.870 0.027 0.000 1.127 214 L CA 0.255 55.109 54.840 0.024 0.000 0.914 214 L CB -0.025 42.052 42.059 0.031 0.000 1.193 214 L HN 0.533 nan 8.230 nan 0.000 0.502 215 G N 0.205 109.019 108.800 0.023 0.000 2.143 215 G HA2 -0.222 3.740 3.960 0.003 0.000 0.249 215 G HA3 -0.222 3.740 3.960 0.003 0.000 0.249 215 G C 0.527 175.443 174.900 0.027 0.000 0.981 215 G CA -0.096 45.018 45.100 0.023 0.000 0.665 215 G HN 0.491 nan 8.290 nan 0.000 0.528 216 G N -0.617 108.203 108.800 0.033 0.000 2.562 216 G HA2 0.562 4.524 3.960 0.003 0.000 0.275 216 G HA3 0.562 4.524 3.960 0.003 0.000 0.275 216 G C -0.181 174.747 174.900 0.047 0.000 1.196 216 G CA -0.479 44.643 45.100 0.037 0.000 0.908 216 G HN 0.356 nan 8.290 nan 0.000 0.524 217 K N -0.090 120.335 120.400 0.042 0.000 2.274 217 K HA 0.305 4.627 4.320 0.003 0.000 0.262 217 K C -1.334 175.322 176.600 0.093 0.000 0.961 217 K CA -0.527 55.794 56.287 0.057 0.000 0.833 217 K CB 1.941 34.450 32.500 0.016 0.000 1.102 217 K HN 0.327 nan 8.250 nan 0.000 0.436 218 F N 3.459 123.382 119.950 -0.044 0.000 2.412 218 F HA 0.289 4.817 4.527 0.002 0.000 0.348 218 F C 0.287 176.054 175.800 -0.055 0.000 1.102 218 F CA -0.702 57.267 58.000 -0.052 0.000 1.196 218 F CB 0.529 39.507 39.000 -0.037 0.000 1.144 218 F HN 0.373 nan 8.300 nan 0.000 0.541 219 I N 5.357 125.614 120.570 -0.523 0.000 2.436 219 I HA 0.143 4.315 4.170 0.003 0.000 0.289 219 I C 0.280 176.224 176.117 -0.289 0.000 1.083 219 I CA 0.118 61.199 61.300 -0.365 0.000 1.372 219 I CB 0.143 37.904 38.000 -0.397 0.000 1.408 219 I HN 0.648 nan 8.210 nan 0.000 0.516 220 T N 2.581 117.085 114.554 -0.083 0.000 2.888 220 T HA 0.588 4.939 4.350 0.003 0.000 0.288 220 T C -0.039 174.656 174.700 -0.008 0.000 1.063 220 T CA -0.727 61.377 62.100 0.008 0.000 1.010 220 T CB 1.997 70.916 68.868 0.084 0.000 1.214 220 T HN 0.281 nan 8.240 nan 0.000 0.533 221 V N -1.021 118.900 119.914 0.012 0.000 2.699 221 V HA 0.476 4.598 4.120 0.003 0.000 0.311 221 V C -0.852 175.248 176.094 0.010 0.000 1.160 221 V CA -0.792 61.511 62.300 0.004 0.000 1.313 221 V CB -0.743 31.083 31.823 0.004 0.000 1.553 221 V HN 0.789 nan 8.190 nan 0.000 0.630 245 K N 1.508 121.913 120.400 0.008 0.000 2.442 245 K HA 0.005 4.327 4.320 0.003 0.000 0.198 245 K C 0.386 176.989 176.600 0.006 0.000 1.042 245 K CA 0.960 57.252 56.287 0.009 0.000 0.958 245 K CB 0.169 32.674 32.500 0.008 0.000 0.766 245 K HN -0.141 nan 8.250 nan 0.000 0.474 246 K N 0.869 121.272 120.400 0.004 0.000 2.758 246 K HA 0.090 4.411 4.320 0.003 0.000 0.250 246 K C 0.401 177.001 176.600 -0.001 0.000 1.268 246 K CA 0.056 56.343 56.287 0.001 0.000 1.228 246 K CB 0.043 32.543 32.500 -0.000 0.000 1.715 246 K HN 0.079 nan 8.250 nan 0.000 0.334 247 Q N 0.357 120.158 119.800 0.000 0.000 2.425 247 Q HA 0.071 4.413 4.340 0.003 0.000 0.204 247 Q C 1.126 177.120 176.000 -0.010 0.000 0.933 247 Q CA 0.479 56.278 55.803 -0.007 0.000 0.939 247 Q CB 0.303 29.037 28.738 -0.006 0.000 1.044 247 Q HN 0.623 nan 8.270 nan 0.000 0.513 248 A N 0.734 123.554 122.820 0.000 0.000 2.067 248 A HA -0.168 4.154 4.320 0.003 0.000 0.219 248 A C 1.715 179.299 177.584 0.000 0.000 1.158 248 A CA 0.971 53.012 52.037 0.007 0.000 0.661 248 A CB -0.197 18.808 19.000 0.009 0.000 0.801 248 A HN 0.385 nan 8.150 nan 0.000 0.452 249 E N -0.164 120.032 120.200 -0.006 0.000 2.051 249 E HA -0.172 4.180 4.350 0.003 0.000 0.192 249 E C 2.368 178.958 176.600 -0.016 0.000 0.991 249 E CA 1.123 57.518 56.400 -0.010 0.000 0.799 249 E CB -0.262 29.432 29.700 -0.009 0.000 0.748 249 E HN 0.628 nan 8.360 nan 0.000 0.449 250 A N 0.993 123.799 122.820 -0.025 0.000 1.898 250 A HA -0.116 4.205 4.320 0.003 0.000 0.216 250 A C 2.530 180.081 177.584 -0.054 0.000 1.181 250 A CA 1.047 53.059 52.037 -0.040 0.000 0.620 250 A CB -0.616 18.354 19.000 -0.050 0.000 0.819 250 A HN 0.096 nan 8.150 nan 0.000 0.442 251 V N 0.242 120.127 119.914 -0.047 0.000 2.255 251 V HA -0.238 3.884 4.120 0.003 0.000 0.247 251 V C 2.486 178.578 176.094 -0.002 0.000 1.051 251 V CA 1.878 64.154 62.300 -0.039 0.000 1.018 251 V CB -0.734 31.105 31.823 0.027 0.000 0.641 251 V HN 0.620 nan 8.190 nan 0.000 0.445 252 L N 0.303 121.534 121.223 0.013 0.000 2.083 252 L HA -0.200 4.142 4.340 0.003 0.000 0.209 252 L C 2.485 179.354 176.870 -0.002 0.000 1.083 252 L CA 2.172 57.021 54.840 0.015 0.000 0.752 252 L CB -0.890 41.172 42.059 0.006 0.000 0.899 252 L HN 0.412 nan 8.230 nan 0.000 0.433 253 K N -0.384 120.007 120.400 -0.015 0.000 2.113 253 K HA -0.214 4.108 4.320 0.003 0.000 0.208 253 K C 1.775 178.359 176.600 -0.026 0.000 1.047 253 K CA 1.550 57.825 56.287 -0.020 0.000 0.928 253 K CB 0.187 32.672 32.500 -0.025 0.000 0.716 253 K HN 0.376 nan 8.250 nan 0.000 0.446 254 E N 0.522 120.699 120.200 -0.039 0.000 2.122 254 E HA -0.119 4.233 4.350 0.003 0.000 0.190 254 E C 1.963 178.541 176.600 -0.036 0.000 0.977 254 E CA 0.360 56.728 56.400 -0.052 0.000 0.820 254 E CB -0.253 29.393 29.700 -0.091 0.000 0.770 254 E HN 0.196 nan 8.360 nan 0.000 0.462 255 L N 1.064 122.283 121.223 -0.006 0.000 2.127 255 L HA -0.122 4.220 4.340 0.003 0.000 0.211 255 L C 2.129 179.007 176.870 0.013 0.000 1.089 255 L CA 1.170 56.031 54.840 0.035 0.000 0.757 255 L CB -0.339 41.781 42.059 0.102 0.000 0.899 255 L HN -0.115 nan 8.230 nan 0.000 0.434 256 V N -0.618 119.297 119.914 0.001 0.000 2.759 256 V HA -0.213 3.909 4.120 0.003 0.000 0.256 256 V C 2.176 178.266 176.094 -0.007 0.000 1.080 256 V CA 1.553 63.851 62.300 -0.003 0.000 1.101 256 V CB -0.694 31.125 31.823 -0.007 0.000 0.698 256 V HN 0.463 nan 8.190 nan 0.000 0.477 257 K N -0.679 119.711 120.400 -0.016 0.000 2.374 257 K HA 0.130 4.452 4.320 0.003 0.000 0.196 257 K C 0.497 177.076 176.600 -0.034 0.000 1.023 257 K CA 0.028 56.303 56.287 -0.021 0.000 1.103 257 K CB 0.373 32.856 32.500 -0.027 0.000 0.848 257 K HN 0.350 nan 8.250 nan 0.000 0.528 258 T N 1.574 116.105 114.554 -0.038 0.000 2.856 258 T HA 0.091 4.442 4.350 0.003 0.000 0.292 258 T C 0.473 175.116 174.700 -0.096 0.000 0.980 258 T CA -0.379 61.679 62.100 -0.071 0.000 1.091 258 T CB 1.382 70.221 68.868 -0.048 0.000 0.936 258 T HN 0.048 nan 8.240 nan 0.000 0.503 259 D N 1.541 121.824 120.400 -0.195 0.000 2.262 259 D HA 0.171 4.813 4.640 0.003 0.000 0.212 259 D C 0.438 176.444 176.300 -0.490 0.000 0.964 259 D CA 0.781 54.565 54.000 -0.361 0.000 0.875 259 D CB 0.734 41.190 40.800 -0.573 0.000 0.996 259 D HN 0.429 nan 8.370 nan 0.000 0.497 260 I N 0.819 121.160 120.570 -0.381 0.000 2.512 260 I HA 0.397 4.568 4.170 0.003 0.000 0.287 260 I C -0.996 175.065 176.117 -0.094 0.000 1.069 260 I CA -0.891 60.256 61.300 -0.255 0.000 1.056 260 I CB 2.348 40.185 38.000 -0.271 0.000 1.229 260 I HN -0.226 nan 8.210 nan 0.000 0.429 261 A N 7.939 130.754 122.820 -0.007 0.000 2.287 261 A HA 0.834 5.156 4.320 0.003 0.000 0.317 261 A C -0.640 177.015 177.584 0.117 0.000 1.220 261 A CA -0.396 51.709 52.037 0.113 0.000 0.835 261 A CB 0.528 19.630 19.000 0.170 0.000 1.180 261 A HN 0.684 nan 8.150 nan 0.000 0.500 262 I N 3.046 123.713 120.570 0.162 0.000 2.355 262 I HA 0.336 4.508 4.170 0.003 0.000 0.288 262 I C 0.235 176.472 176.117 0.200 0.000 0.999 262 I CA -0.355 61.025 61.300 0.134 0.000 1.163 262 I CB 2.093 40.152 38.000 0.099 0.000 1.316 262 I HN 0.690 nan 8.210 nan 0.000 0.454 263 T N 0.524 115.157 114.554 0.131 0.000 2.771 263 T HA 0.417 4.768 4.350 0.003 0.000 0.281 263 T C 0.503 175.253 174.700 0.084 0.000 0.982 263 T CA -0.479 61.692 62.100 0.119 0.000 0.978 263 T CB 1.552 70.400 68.868 -0.034 0.000 0.930 263 T HN 0.727 nan 8.240 nan 0.000 0.447 264 T N -1.036 113.579 114.554 0.102 0.000 3.111 264 T HA 0.511 4.863 4.350 0.003 0.000 0.284 264 T C 0.710 175.450 174.700 0.067 0.000 0.983 264 T CA -0.074 62.072 62.100 0.077 0.000 0.900 264 T CB -0.049 68.868 68.868 0.081 0.000 1.132 264 T HN 0.971 nan 8.240 nan 0.000 0.531 265 A N 1.800 124.661 122.820 0.067 0.000 2.404 265 A HA 0.693 5.015 4.320 0.003 0.000 0.273 265 A C -0.539 177.067 177.584 0.038 0.000 1.144 265 A CA -0.283 51.789 52.037 0.058 0.000 0.806 265 A CB 0.076 19.114 19.000 0.064 0.000 1.080 265 A HN 0.489 nan 8.150 nan 0.000 0.509 266 L N 2.655 123.901 121.223 0.038 0.000 2.393 266 L HA 0.720 5.062 4.340 0.003 0.000 0.260 266 L C -0.889 175.998 176.870 0.028 0.000 1.002 266 L CA -0.254 54.605 54.840 0.031 0.000 0.818 266 L CB 2.073 44.153 42.059 0.034 0.000 1.369 266 L HN 0.634 nan 8.230 nan 0.000 0.412 267 I N 3.863 124.448 120.570 0.024 0.000 2.531 267 I HA 0.306 4.478 4.170 0.003 0.000 0.283 267 I C -2.305 173.824 176.117 0.021 0.000 1.083 267 I CA -1.588 59.726 61.300 0.022 0.000 1.071 267 I CB 1.928 39.940 38.000 0.019 0.000 1.210 267 I HN 0.406 nan 8.210 nan 0.000 0.450 268 P HA 0.016 nan 4.420 nan 0.000 0.260 268 P C 0.982 178.293 177.300 0.019 0.000 1.172 268 P CA 0.854 63.968 63.100 0.023 0.000 0.760 268 P CB 0.440 32.154 31.700 0.022 0.000 0.773 269 G N 1.558 110.368 108.800 0.017 0.000 2.187 269 G HA2 -0.247 3.715 3.960 0.003 0.000 0.261 269 G HA3 -0.247 3.715 3.960 0.003 0.000 0.261 269 G C 0.093 175.000 174.900 0.011 0.000 1.000 269 G CA 0.161 45.269 45.100 0.013 0.000 0.718 269 G HN 0.532 nan 8.290 nan 0.000 0.519 270 K N -0.340 120.067 120.400 0.011 0.000 2.477 270 K HA 0.520 4.842 4.320 0.003 0.000 0.255 270 K C -2.710 173.894 176.600 0.007 0.000 0.952 270 K CA -1.941 54.352 56.287 0.009 0.000 0.826 270 K CB 2.052 34.558 32.500 0.011 0.000 1.331 270 K HN -0.056 nan 8.250 nan 0.000 0.437 271 P HA 0.113 nan 4.420 nan 0.000 0.271 271 P C -0.845 176.456 177.300 0.001 0.000 1.218 271 P CA -0.286 62.814 63.100 0.001 0.000 0.780 271 P CB 0.443 32.142 31.700 -0.002 0.000 0.901 272 A N 4.349 127.168 122.820 -0.001 0.000 2.425 272 A HA 0.412 4.734 4.320 0.003 0.000 0.249 272 A C -1.954 175.625 177.584 -0.008 0.000 1.084 272 A CA -1.078 50.958 52.037 -0.001 0.000 0.781 272 A CB -1.006 17.992 19.000 -0.004 0.000 1.019 272 A HN 0.439 nan 8.150 nan 0.000 0.490 273 P HA 0.194 nan 4.420 nan 0.000 0.275 273 P C -0.600 176.681 177.300 -0.031 0.000 1.227 273 P CA -0.083 63.011 63.100 -0.010 0.000 0.781 273 P CB 0.776 32.479 31.700 0.004 0.000 0.906 274 V N 5.248 125.139 119.914 -0.038 0.000 2.405 274 V HA 0.045 4.166 4.120 0.003 0.000 0.264 274 V C 1.615 177.656 176.094 -0.087 0.000 1.048 274 V CA 0.307 62.569 62.300 -0.064 0.000 0.966 274 V CB 0.049 31.841 31.823 -0.052 0.000 1.015 274 V HN 0.483 nan 8.190 nan 0.000 0.477 275 L N 5.236 126.364 121.223 -0.158 0.000 2.575 275 L HA 0.446 4.788 4.340 0.003 0.000 0.228 275 L C 0.293 176.948 176.870 -0.357 0.000 1.075 275 L CA 0.533 55.231 54.840 -0.236 0.000 0.867 275 L CB 0.365 42.229 42.059 -0.324 0.000 1.097 275 L HN 0.444 nan 8.230 nan 0.000 0.485 276 I N 0.731 121.107 120.570 -0.324 0.000 2.476 276 I HA 0.165 4.337 4.170 0.003 0.000 0.281 276 I C 0.167 176.196 176.117 -0.147 0.000 1.040 276 I CA -0.381 60.760 61.300 -0.266 0.000 1.094 276 I CB 1.953 39.753 38.000 -0.334 0.000 1.219 276 I HN -0.003 nan 8.210 nan 0.000 0.450 277 T N 0.101 114.593 114.554 -0.102 0.000 2.882 277 T HA 0.181 4.533 4.350 0.003 0.000 0.287 277 T C 1.044 175.708 174.700 -0.061 0.000 1.014 277 T CA -0.436 61.623 62.100 -0.069 0.000 1.049 277 T CB 1.968 70.804 68.868 -0.054 0.000 1.001 277 T HN 0.722 nan 8.240 nan 0.000 0.525 278 E N 0.400 120.576 120.200 -0.041 0.000 2.097 278 E HA -0.273 4.079 4.350 0.003 0.000 0.196 278 E C 1.945 178.485 176.600 -0.100 0.000 1.000 278 E CA 1.706 58.087 56.400 -0.031 0.000 0.804 278 E CB -0.120 29.590 29.700 0.017 0.000 0.740 278 E HN 0.885 nan 8.360 nan 0.000 0.454 279 E N -0.267 119.881 120.200 -0.087 0.000 2.118 279 E HA -0.230 4.122 4.350 0.003 0.000 0.195 279 E C 2.023 178.564 176.600 -0.098 0.000 0.992 279 E CA 1.362 57.701 56.400 -0.101 0.000 0.804 279 E CB -0.040 29.622 29.700 -0.065 0.000 0.741 279 E HN 0.395 nan 8.360 nan 0.000 0.458 280 M N 0.023 119.577 119.600 -0.077 0.000 2.254 280 M HA -0.122 4.359 4.480 0.003 0.000 0.265 280 M C 2.429 178.690 176.300 -0.065 0.000 1.066 280 M CA 1.032 56.295 55.300 -0.061 0.000 1.123 280 M CB 0.055 32.623 32.600 -0.053 0.000 1.388 280 M HN 0.182 nan 8.290 nan 0.000 0.425 281 V N -1.254 118.615 119.914 -0.076 0.000 2.667 281 V HA -0.142 3.980 4.120 0.003 0.000 0.252 281 V C 2.183 178.225 176.094 -0.087 0.000 1.065 281 V CA 2.099 64.371 62.300 -0.048 0.000 1.083 281 V CB -1.445 30.386 31.823 0.013 0.000 0.692 281 V HN 0.612 nan 8.190 nan 0.000 0.468 282 T N -1.726 112.689 114.554 -0.231 0.000 2.881 282 T HA -0.135 4.217 4.350 0.003 0.000 0.270 282 T C 1.739 176.369 174.700 -0.117 0.000 1.068 282 T CA 1.611 63.538 62.100 -0.288 0.000 1.131 282 T CB -0.563 68.064 68.868 -0.402 0.000 0.871 282 T HN 0.600 nan 8.240 nan 0.000 0.479 283 K N 0.359 120.709 120.400 -0.084 0.000 2.444 283 K HA 0.286 4.608 4.320 0.003 0.000 0.193 283 K C 0.569 177.156 176.600 -0.021 0.000 1.024 283 K CA 0.037 56.297 56.287 -0.044 0.000 1.077 283 K CB -0.031 32.446 32.500 -0.039 0.000 0.833 283 K HN 0.476 nan 8.250 nan 0.000 0.517 284 M N 1.847 121.439 119.600 -0.014 0.000 2.291 284 M HA 0.113 4.594 4.480 0.003 0.000 0.324 284 M C 0.146 176.455 176.300 0.016 0.000 1.148 284 M CA -0.370 54.932 55.300 0.004 0.000 1.104 284 M CB 0.852 33.458 32.600 0.010 0.000 1.483 284 M HN -0.056 nan 8.290 nan 0.000 0.467 285 K N 0.997 121.410 120.400 0.022 0.000 2.237 285 K HA 0.436 4.757 4.320 0.003 0.000 0.270 285 K C -2.795 173.836 176.600 0.051 0.000 1.015 285 K CA -1.531 54.776 56.287 0.034 0.000 0.949 285 K CB -0.276 32.246 32.500 0.038 0.000 0.976 285 K HN 0.166 nan 8.250 nan 0.000 0.472 286 P HA 0.091 nan 4.420 nan 0.000 0.275 286 P C 0.528 177.878 177.300 0.083 0.000 1.228 286 P CA 0.336 63.473 63.100 0.062 0.000 0.786 286 P CB 1.015 32.744 31.700 0.048 0.000 0.927 287 G N 0.716 109.575 108.800 0.099 0.000 2.213 287 G HA2 -0.225 3.737 3.960 0.003 0.000 0.236 287 G HA3 -0.225 3.737 3.960 0.003 0.000 0.236 287 G C 0.406 175.460 174.900 0.257 0.000 0.991 287 G CA -0.001 45.193 45.100 0.157 0.000 0.629 287 G HN 0.592 nan 8.290 nan 0.000 0.517 288 S N -0.451 115.340 115.700 0.153 0.000 2.579 288 S HA 0.541 5.013 4.470 0.003 0.000 0.275 288 S C 0.323 174.952 174.600 0.048 0.000 1.345 288 S CA 0.379 58.618 58.200 0.064 0.000 1.031 288 S CB 2.103 65.313 63.200 0.018 0.000 0.892 288 S HN 1.613 nan 8.310 nan 0.000 0.529 289 V N 2.941 122.836 119.914 -0.030 0.000 2.735 289 V HA 0.684 4.806 4.120 0.003 0.000 0.310 289 V C -1.159 174.924 176.094 -0.019 0.000 1.061 289 V CA -0.823 61.478 62.300 0.001 0.000 0.913 289 V CB 1.389 33.240 31.823 0.047 0.000 1.005 289 V HN 0.793 nan 8.190 nan 0.000 0.428 290 I N 6.552 127.121 120.570 -0.002 0.000 2.378 290 I HA 0.497 4.669 4.170 0.003 0.000 0.291 290 I C -0.666 175.451 176.117 -0.000 0.000 0.992 290 I CA -0.675 60.622 61.300 -0.005 0.000 1.154 290 I CB 1.892 39.878 38.000 -0.023 0.000 1.315 290 I HN 0.431 nan 8.210 nan 0.000 0.448 291 I N 4.960 125.539 120.570 0.016 0.000 2.328 291 I HA 0.210 4.381 4.170 0.003 0.000 0.287 291 I C -0.388 175.739 176.117 0.016 0.000 1.012 291 I CA -0.181 61.132 61.300 0.022 0.000 1.195 291 I CB 1.090 39.121 38.000 0.051 0.000 1.350 291 I HN 0.514 nan 8.210 nan 0.000 0.464 292 D N 7.128 127.525 120.400 -0.005 0.000 2.485 292 D HA 0.248 4.890 4.640 0.003 0.000 0.221 292 D C 1.048 177.353 176.300 0.008 0.000 1.112 292 D CA -0.243 53.751 54.000 -0.010 0.000 0.911 292 D CB 0.906 41.686 40.800 -0.033 0.000 1.019 292 D HN 0.419 nan 8.370 nan 0.000 0.516 293 L N 1.875 123.114 121.223 0.027 0.000 2.465 293 L HA 0.016 4.358 4.340 0.003 0.000 0.224 293 L C 1.828 178.716 176.870 0.030 0.000 1.145 293 L CA 0.474 55.337 54.840 0.038 0.000 0.834 293 L CB -0.019 42.071 42.059 0.051 0.000 0.944 293 L HN 0.340 nan 8.230 nan 0.000 0.451 294 A N -0.892 121.938 122.820 0.018 0.000 2.337 294 A HA 0.071 4.393 4.320 0.003 0.000 0.227 294 A C 1.982 179.567 177.584 0.002 0.000 1.259 294 A CA 0.080 52.125 52.037 0.012 0.000 0.870 294 A CB -0.156 18.848 19.000 0.007 0.000 0.927 294 A HN 0.136 nan 8.150 nan 0.000 0.497 295 V N 0.055 119.969 119.914 -0.000 0.000 2.594 295 V HA -0.234 3.888 4.120 0.003 0.000 0.253 295 V C 2.032 178.123 176.094 -0.005 0.000 1.069 295 V CA 2.579 64.874 62.300 -0.009 0.000 1.082 295 V CB -0.363 31.452 31.823 -0.013 0.000 0.680 295 V HN 0.743 nan 8.190 nan 0.000 0.469 296 E N -0.134 120.067 120.200 0.002 0.000 2.358 296 E HA 0.068 4.420 4.350 0.003 0.000 0.195 296 E C 1.674 178.273 176.600 -0.002 0.000 1.010 296 E CA 0.807 57.207 56.400 -0.000 0.000 0.856 296 E CB -0.093 29.608 29.700 0.003 0.000 0.795 296 E HN 0.628 nan 8.360 nan 0.000 0.504 297 A N -0.094 122.726 122.820 0.001 0.000 2.507 297 A HA 0.471 4.792 4.320 0.003 0.000 0.270 297 A C 1.288 178.869 177.584 -0.004 0.000 1.318 297 A CA 0.499 52.536 52.037 0.001 0.000 0.924 297 A CB 0.083 19.088 19.000 0.007 0.000 1.061 297 A HN 0.276 nan 8.150 nan 0.000 0.516 298 G N -1.815 106.980 108.800 -0.008 0.000 2.307 298 G HA2 0.322 4.284 3.960 0.003 0.000 0.210 298 G HA3 0.322 4.284 3.960 0.003 0.000 0.210 298 G C 1.223 176.112 174.900 -0.019 0.000 1.005 298 G CA 0.383 45.475 45.100 -0.013 0.000 0.634 298 G HN 2.451 nan 8.290 nan 0.000 0.496 299 G N -0.591 108.197 108.800 -0.019 0.000 2.719 299 G HA2 0.072 4.034 3.960 0.003 0.000 0.686 299 G HA3 0.072 4.034 3.960 0.003 0.000 0.686 299 G C 0.071 174.946 174.900 -0.042 0.000 1.201 299 G CA 0.409 45.491 45.100 -0.030 0.000 0.768 299 G HN 1.001 nan 8.290 nan 0.000 0.629 300 N N -0.909 117.756 118.700 -0.058 0.000 2.463 300 N HA 0.197 4.939 4.740 0.003 0.000 0.181 300 N C 0.655 176.088 175.510 -0.129 0.000 1.078 300 N CA 0.903 53.897 53.050 -0.094 0.000 0.902 300 N CB 0.613 39.029 38.487 -0.117 0.000 0.970 300 N HN 0.691 nan 8.380 nan 0.000 0.451 301 C N 1.439 120.677 119.300 -0.103 0.000 2.340 301 C HA 0.404 4.866 4.460 0.003 0.000 0.323 301 C C -1.572 173.383 174.990 -0.059 0.000 1.260 301 C CA -2.071 56.890 59.018 -0.095 0.000 1.464 301 C CB 1.139 28.822 27.740 -0.096 0.000 2.156 301 C HN 0.241 nan 8.230 nan 0.000 0.476 302 P HA -0.018 nan 4.420 nan 0.000 0.237 302 P C 1.058 178.344 177.300 -0.023 0.000 1.178 302 P CA 1.069 64.150 63.100 -0.032 0.000 0.766 302 P CB 0.110 31.794 31.700 -0.026 0.000 0.876 303 L N -0.430 120.780 121.223 -0.022 0.000 2.492 303 L HA 0.047 4.388 4.340 0.003 0.000 0.223 303 L C 1.331 178.185 176.870 -0.026 0.000 1.132 303 L CA 0.121 54.952 54.840 -0.015 0.000 0.850 303 L CB -0.538 41.522 42.059 0.002 0.000 0.966 303 L HN 0.003 nan 8.230 nan 0.000 0.454 304 S N 0.187 115.867 115.700 -0.033 0.000 2.576 304 S HA 0.280 4.752 4.470 0.003 0.000 0.276 304 S C -0.202 174.377 174.600 -0.036 0.000 1.339 304 S CA -0.535 57.641 58.200 -0.040 0.000 1.039 304 S CB 1.200 64.373 63.200 -0.045 0.000 0.902 304 S HN 0.191 nan 8.310 nan 0.000 0.516 305 E N 1.737 121.912 120.200 -0.041 0.000 2.256 305 E HA 0.380 4.732 4.350 0.003 0.000 0.268 305 E C -2.920 173.659 176.600 -0.035 0.000 0.877 305 E CA -2.510 53.871 56.400 -0.033 0.000 0.757 305 E CB 1.779 31.461 29.700 -0.030 0.000 1.183 305 E HN 0.405 nan 8.360 nan 0.000 0.418 306 P HA 0.005 nan 4.420 nan 0.000 0.263 306 P C 0.641 177.935 177.300 -0.011 0.000 1.195 306 P CA 0.834 63.925 63.100 -0.015 0.000 0.762 306 P CB 0.442 32.137 31.700 -0.009 0.000 0.799 307 G N 1.772 110.572 108.800 -0.002 0.000 2.143 307 G HA2 -0.243 3.719 3.960 0.003 0.000 0.249 307 G HA3 -0.243 3.719 3.960 0.003 0.000 0.249 307 G C -0.040 174.863 174.900 0.005 0.000 0.981 307 G CA -0.052 45.064 45.100 0.026 0.000 0.665 307 G HN 0.562 nan 8.290 nan 0.000 0.528 308 K N -0.672 119.696 120.400 -0.053 0.000 2.435 308 K HA 0.676 4.998 4.320 0.003 0.000 0.251 308 K C -0.557 175.965 176.600 -0.130 0.000 0.954 308 K CA -1.063 55.186 56.287 -0.063 0.000 0.820 308 K CB 2.189 34.667 32.500 -0.037 0.000 1.292 308 K HN 0.097 nan 8.250 nan 0.000 0.436 309 I N 2.192 122.704 120.570 -0.096 0.000 2.307 309 I HA 0.187 4.359 4.170 0.003 0.000 0.289 309 I C -0.408 175.685 176.117 -0.041 0.000 1.021 309 I CA -0.813 60.437 61.300 -0.083 0.000 1.224 309 I CB 1.516 39.493 38.000 -0.039 0.000 1.376 309 I HN 0.179 nan 8.210 nan 0.000 0.470 310 V N 8.115 128.003 119.914 -0.042 0.000 2.581 310 V HA 0.543 4.664 4.120 0.003 0.000 0.303 310 V C -0.483 175.596 176.094 -0.025 0.000 1.041 310 V CA -0.401 61.880 62.300 -0.032 0.000 0.907 310 V CB 2.231 34.032 31.823 -0.036 0.000 0.994 310 V HN 0.388 nan 8.190 nan 0.000 0.442 311 V N 6.730 126.628 119.914 -0.027 0.000 2.384 311 V HA 0.605 4.727 4.120 0.003 0.000 0.287 311 V C -0.167 175.891 176.094 -0.060 0.000 1.020 311 V CA -0.598 61.687 62.300 -0.025 0.000 0.850 311 V CB 1.374 33.189 31.823 -0.014 0.000 0.987 311 V HN 0.928 nan 8.190 nan 0.000 0.436 312 K N 2.561 122.920 120.400 -0.069 0.000 2.501 312 K HA 0.494 4.816 4.320 0.003 0.000 0.252 312 K C -0.258 176.271 176.600 -0.118 0.000 0.934 312 K CA -0.698 55.474 56.287 -0.192 0.000 0.797 312 K CB 0.908 33.260 32.500 -0.247 0.000 1.270 312 K HN 0.835 nan 8.250 nan 0.000 0.431 313 H N 1.226 120.294 119.070 -0.002 0.000 2.899 313 H HA -0.191 4.367 4.556 0.003 0.000 0.282 313 H C 0.690 176.021 175.328 0.005 0.000 1.198 313 H CA 1.421 57.469 56.048 -0.001 0.000 1.140 313 H CB -1.443 28.316 29.762 -0.004 0.000 1.317 313 H HN 1.130 nan 8.280 nan 0.000 0.375 314 G N -1.375 107.464 108.800 0.065 0.000 2.179 314 G HA2 -0.302 3.659 3.960 0.003 0.000 0.260 314 G HA3 -0.302 3.659 3.960 0.003 0.000 0.260 314 G C 0.245 175.180 174.900 0.059 0.000 0.977 314 G CA 0.304 45.437 45.100 0.055 0.000 0.641 314 G HN 0.511 nan 8.290 nan 0.000 0.533 315 V N 0.887 120.839 119.914 0.062 0.000 2.459 315 V HA 0.494 4.616 4.120 0.003 0.000 0.295 315 V C 0.346 176.463 176.094 0.037 0.000 1.029 315 V CA -0.924 61.410 62.300 0.056 0.000 0.874 315 V CB 1.747 33.605 31.823 0.059 0.000 0.985 315 V HN 0.302 nan 8.190 nan 0.000 0.438 316 K N 4.778 125.202 120.400 0.041 0.000 2.276 316 K HA 0.555 4.877 4.320 0.003 0.000 0.285 316 K C -1.050 175.556 176.600 0.011 0.000 1.062 316 K CA -0.232 56.072 56.287 0.027 0.000 0.918 316 K CB 0.923 33.452 32.500 0.048 0.000 1.055 316 K HN 0.454 nan 8.250 nan 0.000 0.477 317 I N 3.383 123.948 120.570 -0.009 0.000 2.330 317 I HA 0.121 4.293 4.170 0.003 0.000 0.289 317 I C -0.553 175.530 176.117 -0.056 0.000 1.001 317 I CA -0.653 60.632 61.300 -0.026 0.000 1.193 317 I CB 1.489 39.473 38.000 -0.027 0.000 1.345 317 I HN 0.226 nan 8.210 nan 0.000 0.461 318 V N 5.273 125.145 119.914 -0.070 0.000 2.398 318 V HA 0.693 4.814 4.120 0.003 0.000 0.286 318 V C 0.741 176.737 176.094 -0.163 0.000 1.026 318 V CA -0.406 61.802 62.300 -0.153 0.000 0.868 318 V CB 1.403 33.157 31.823 -0.115 0.000 0.982 318 V HN 0.901 nan 8.190 nan 0.000 0.443 319 G N 2.929 111.587 108.800 -0.238 0.000 4.904 319 G HA2 0.227 4.189 3.960 0.003 0.000 0.265 319 G HA3 0.227 4.189 3.960 0.003 0.000 0.265 319 G C -0.067 174.763 174.900 -0.116 0.000 1.227 319 G CA -0.446 44.575 45.100 -0.132 0.000 0.926 319 G HN 0.671 nan 8.290 nan 0.000 0.581 320 H N 1.413 120.482 119.070 -0.001 0.000 2.972 320 H HA 0.120 4.677 4.556 0.003 0.000 0.343 320 H C 1.009 176.333 175.328 -0.007 0.000 1.054 320 H CA 0.913 56.957 56.048 -0.007 0.000 1.412 320 H CB 0.989 30.744 29.762 -0.012 0.000 1.385 320 H HN 0.396 nan 8.280 nan 0.000 0.600 321 T N -0.148 114.482 114.554 0.126 0.000 2.913 321 T HA 0.083 4.435 4.350 0.003 0.000 0.287 321 T C 0.690 175.417 174.700 0.046 0.000 1.008 321 T CA -0.972 61.164 62.100 0.061 0.000 1.067 321 T CB 0.856 69.743 68.868 0.032 0.000 0.996 321 T HN 0.659 nan 8.240 nan 0.000 0.513 322 N N 0.908 119.624 118.700 0.027 0.000 2.671 322 N HA -0.154 4.588 4.740 0.003 0.000 0.261 322 N C 0.617 176.134 175.510 0.012 0.000 1.053 322 N CA 0.696 53.753 53.050 0.011 0.000 0.732 322 N CB -1.498 36.983 38.487 -0.010 0.000 0.887 322 N HN 0.567 nan 8.380 nan 0.000 0.546 323 V N 0.790 120.723 119.914 0.031 0.000 2.407 323 V HA -0.120 4.002 4.120 0.003 0.000 0.248 323 V C -0.552 175.555 176.094 0.023 0.000 1.055 323 V CA 2.057 64.373 62.300 0.027 0.000 1.049 323 V CB -0.822 31.031 31.823 0.050 0.000 0.662 323 V HN 0.402 nan 8.190 nan 0.000 0.455 324 P HA -0.131 nan 4.420 nan 0.000 0.219 324 P C 1.942 179.246 177.300 0.006 0.000 1.146 324 P CA 1.695 64.815 63.100 0.034 0.000 0.808 324 P CB -0.057 31.673 31.700 0.049 0.000 0.779 325 S N -0.906 114.785 115.700 -0.014 0.000 2.489 325 S HA -0.031 4.440 4.470 0.003 0.000 0.228 325 S C 1.709 176.286 174.600 -0.037 0.000 0.995 325 S CA 0.461 58.640 58.200 -0.035 0.000 0.934 325 S CB -0.583 62.590 63.200 -0.046 0.000 0.771 325 S HN 0.038 nan 8.310 nan 0.000 0.522 326 R N 0.187 120.665 120.500 -0.038 0.000 2.316 326 R HA 0.086 4.428 4.340 0.003 0.000 0.202 326 R C 0.338 176.626 176.300 -0.020 0.000 1.029 326 R CA 0.715 56.782 56.100 -0.056 0.000 1.018 326 R CB 0.125 30.368 30.300 -0.095 0.000 0.888 326 R HN 0.305 nan 8.270 nan 0.000 0.471 327 V N -0.492 119.426 119.914 0.007 0.000 2.778 327 V HA 0.269 4.391 4.120 0.003 0.000 0.356 327 V C 1.025 177.121 176.094 0.004 0.000 1.283 327 V CA -0.024 62.292 62.300 0.026 0.000 1.247 327 V CB 0.662 32.525 31.823 0.068 0.000 1.408 327 V HN 0.157 nan 8.190 nan 0.000 0.620 328 A N 0.953 123.766 122.820 -0.012 0.000 2.019 328 A HA 0.027 4.349 4.320 0.003 0.000 0.219 328 A C 2.262 179.837 177.584 -0.015 0.000 1.164 328 A CA 1.989 54.013 52.037 -0.022 0.000 0.644 328 A CB -0.054 18.925 19.000 -0.034 0.000 0.805 328 A HN 0.774 nan 8.150 nan 0.000 0.449 329 A N -0.907 121.906 122.820 -0.011 0.000 2.016 329 A HA -0.018 4.304 4.320 0.003 0.000 0.217 329 A C 1.714 179.295 177.584 -0.005 0.000 1.162 329 A CA 1.521 53.553 52.037 -0.007 0.000 0.662 329 A CB -0.170 18.825 19.000 -0.008 0.000 0.812 329 A HN 0.393 nan 8.150 nan 0.000 0.450 330 D N -0.570 119.824 120.400 -0.010 0.000 2.277 330 D HA 0.188 4.830 4.640 0.003 0.000 0.209 330 D C 2.202 178.505 176.300 0.005 0.000 0.970 330 D CA 1.040 55.032 54.000 -0.014 0.000 0.874 330 D CB -0.074 40.699 40.800 -0.044 0.000 0.982 330 D HN 0.325 nan 8.370 nan 0.000 0.504 331 A N 0.575 123.403 122.820 0.013 0.000 1.902 331 A HA -0.145 4.177 4.320 0.003 0.000 0.217 331 A C 2.375 180.000 177.584 0.069 0.000 1.181 331 A CA 1.761 53.822 52.037 0.040 0.000 0.623 331 A CB -0.428 18.588 19.000 0.027 0.000 0.818 331 A HN 0.142 nan 8.150 nan 0.000 0.443 332 S N 0.237 115.959 115.700 0.037 0.000 2.355 332 S HA -0.058 4.414 4.470 0.003 0.000 0.222 332 S C -0.298 174.359 174.600 0.096 0.000 1.031 332 S CA 1.521 59.751 58.200 0.050 0.000 0.993 332 S CB -1.175 62.031 63.200 0.010 0.000 0.859 332 S HN 0.458 nan 8.310 nan 0.000 0.453 333 P HA -0.062 nan 4.420 nan 0.000 0.216 333 P C 1.309 178.646 177.300 0.061 0.000 1.150 333 P CA 0.948 64.085 63.100 0.061 0.000 0.837 333 P CB -0.142 31.579 31.700 0.035 0.000 0.786 334 L N -2.842 118.416 121.223 0.058 0.000 2.056 334 L HA -0.139 4.203 4.340 0.003 0.000 0.207 334 L C 2.428 179.318 176.870 0.032 0.000 1.078 334 L CA 1.284 56.145 54.840 0.034 0.000 0.749 334 L CB -0.927 41.149 42.059 0.028 0.000 0.901 334 L HN -0.085 nan 8.230 nan 0.000 0.433 335 F N 0.949 120.863 119.950 -0.061 0.000 2.095 335 F HA -0.256 4.273 4.527 0.003 0.000 0.298 335 F C 2.504 178.219 175.800 -0.142 0.000 1.104 335 F CA 1.466 59.409 58.000 -0.095 0.000 1.232 335 F CB -0.181 38.778 39.000 -0.070 0.000 0.987 335 F HN 0.002 nan 8.300 nan 0.000 0.475 336 A N -0.633 122.272 122.820 0.143 0.000 1.969 336 A HA -0.204 4.118 4.320 0.003 0.000 0.218 336 A C 2.071 179.621 177.584 -0.056 0.000 1.169 336 A CA 1.791 53.857 52.037 0.048 0.000 0.635 336 A CB -0.613 18.494 19.000 0.179 0.000 0.810 336 A HN 0.331 nan 8.150 nan 0.000 0.445 337 K N 0.553 120.934 120.400 -0.032 0.000 2.062 337 K HA -0.050 4.271 4.320 0.003 0.000 0.205 337 K C 1.632 178.164 176.600 -0.114 0.000 1.051 337 K CA 1.823 58.087 56.287 -0.039 0.000 0.941 337 K CB -0.570 31.920 32.500 -0.016 0.000 0.719 337 K HN 0.655 nan 8.250 nan 0.000 0.440 338 N N -0.191 118.390 118.700 -0.197 0.000 2.061 338 N HA -0.185 4.557 4.740 0.003 0.000 0.193 338 N C 1.278 176.600 175.510 -0.313 0.000 1.030 338 N CA 1.193 54.080 53.050 -0.270 0.000 0.856 338 N CB -0.140 38.093 38.487 -0.424 0.000 1.023 338 N HN -0.006 nan 8.380 nan 0.000 0.424 339 L N 0.696 121.614 121.223 -0.509 0.000 2.017 339 L HA -0.083 4.259 4.340 0.003 0.000 0.208 339 L C 2.094 178.711 176.870 -0.423 0.000 1.073 339 L CA 1.211 55.595 54.840 -0.760 0.000 0.745 339 L CB -1.091 40.004 42.059 -1.606 0.000 0.894 339 L HN 0.259 nan 8.230 nan 0.000 0.432 340 L N -0.212 120.890 121.223 -0.203 0.000 2.017 340 L HA -0.190 4.152 4.340 0.003 0.000 0.208 340 L C 2.224 179.156 176.870 0.103 0.000 1.073 340 L CA 1.673 56.618 54.840 0.174 0.000 0.745 340 L CB -0.840 41.337 42.059 0.196 0.000 0.894 340 L HN 0.309 nan 8.230 nan 0.000 0.432 341 N N -0.787 117.930 118.700 0.029 0.000 2.205 341 N HA -0.240 4.502 4.740 0.003 0.000 0.186 341 N C 1.792 177.330 175.510 0.047 0.000 1.015 341 N CA 1.668 54.731 53.050 0.022 0.000 0.862 341 N CB -0.530 37.955 38.487 -0.005 0.000 0.986 341 N HN 0.479 nan 8.380 nan 0.000 0.429 342 F N 0.995 120.897 119.950 -0.079 0.000 2.206 342 F HA 0.006 4.535 4.527 0.003 0.000 0.298 342 F C 2.019 177.858 175.800 0.066 0.000 1.090 342 F CA 0.552 58.521 58.000 -0.051 0.000 1.323 342 F CB -0.205 38.711 39.000 -0.140 0.000 1.028 342 F HN -0.058 nan 8.300 nan 0.000 0.492 343 L N -0.277 120.982 121.223 0.059 0.000 2.162 343 L HA -0.024 4.318 4.340 0.003 0.000 0.205 343 L C 2.226 179.146 176.870 0.083 0.000 1.086 343 L CA 1.921 56.825 54.840 0.105 0.000 0.778 343 L CB -1.127 41.145 42.059 0.356 0.000 0.928 343 L HN 0.092 nan 8.230 nan 0.000 0.446 344 T N 0.977 115.563 114.554 0.053 0.000 2.665 344 T HA -0.117 4.235 4.350 0.003 0.000 0.268 344 T C -0.621 174.027 174.700 -0.086 0.000 1.035 344 T CA 2.093 64.210 62.100 0.029 0.000 1.151 344 T CB -1.140 67.744 68.868 0.025 0.000 0.862 344 T HN 0.321 nan 8.240 nan 0.000 0.438 345 P HA -0.044 nan 4.420 nan 0.000 0.231 345 P C 0.753 177.754 177.300 -0.498 0.000 1.158 345 P CA 0.997 63.846 63.100 -0.418 0.000 0.763 345 P CB -0.070 31.276 31.700 -0.589 0.000 0.805 346 H N -2.402 116.617 119.070 -0.085 0.000 2.652 346 H HA 0.231 4.789 4.556 0.003 0.000 0.274 346 H C 0.220 175.539 175.328 -0.014 0.000 1.021 346 H CA 0.113 56.118 56.048 -0.072 0.000 1.187 346 H CB 0.653 30.334 29.762 -0.135 0.000 1.505 346 H HN -0.045 nan 8.280 nan 0.000 0.530 347 V N 3.390 123.355 119.914 0.085 0.000 2.125 347 V HA 0.060 4.182 4.120 0.003 0.000 0.263 347 V C -0.031 176.065 176.094 0.004 0.000 1.365 347 V CA -0.371 61.967 62.300 0.064 0.000 1.276 347 V CB 0.011 31.911 31.823 0.129 0.000 1.350 347 V HN 0.141 nan 8.190 nan 0.000 0.487 348 D N 3.301 123.699 120.400 -0.004 0.000 2.347 348 D HA 0.218 4.859 4.640 0.003 0.000 0.235 348 D C 0.677 176.958 176.300 -0.032 0.000 1.149 348 D CA -0.227 53.761 54.000 -0.019 0.000 0.850 348 D CB 2.186 42.977 40.800 -0.013 0.000 1.061 348 D HN 0.361 nan 8.370 nan 0.000 0.487 349 K N 1.131 121.502 120.400 -0.047 0.000 1.975 349 K HA -0.068 4.253 4.320 0.003 0.000 0.210 349 K C 0.344 176.912 176.600 -0.054 0.000 1.041 349 K CA 0.152 56.397 56.287 -0.070 0.000 0.942 349 K CB 0.074 32.526 32.500 -0.079 0.000 0.729 349 K HN 0.410 nan 8.250 nan 0.000 0.439 353 T N -1.717 112.766 114.554 -0.119 0.000 2.838 353 T HA 0.725 5.077 4.350 0.003 0.000 0.292 353 T C -1.406 173.262 174.700 -0.054 0.000 1.113 353 T CA -0.999 61.052 62.100 -0.081 0.000 1.008 353 T CB 1.833 70.680 68.868 -0.036 0.000 1.259 353 T HN 0.154 nan 8.240 nan 0.000 0.520 354 L N 1.534 122.760 121.223 0.005 0.000 2.342 354 L HA 0.743 5.085 4.340 0.003 0.000 0.276 354 L C -1.454 175.457 176.870 0.067 0.000 0.997 354 L CA -0.589 54.292 54.840 0.069 0.000 0.838 354 L CB 1.465 43.610 42.059 0.144 0.000 1.224 354 L HN 0.662 nan 8.230 nan 0.000 0.416 355 V N 6.234 126.189 119.914 0.069 0.000 2.326 355 V HA 0.423 4.545 4.120 0.003 0.000 0.281 355 V C -0.008 176.116 176.094 0.050 0.000 1.015 355 V CA -0.596 61.738 62.300 0.056 0.000 0.823 355 V CB 1.408 33.260 31.823 0.048 0.000 1.009 355 V HN 0.671 nan 8.190 nan 0.000 0.436 356 M N 4.305 123.882 119.600 -0.038 0.000 2.135 356 M HA 0.322 4.804 4.480 0.003 0.000 0.345 356 M C 0.099 176.341 176.300 -0.098 0.000 1.340 356 M CA 0.007 55.141 55.300 -0.276 0.000 1.162 356 M CB 0.104 32.535 32.600 -0.281 0.000 1.570 356 M HN 0.492 nan 8.290 nan 0.000 0.454 357 K N 3.673 124.071 120.400 -0.002 0.000 2.378 357 K HA 0.138 4.460 4.320 0.003 0.000 0.288 357 K C 1.016 177.640 176.600 0.040 0.000 1.057 357 K CA -0.246 56.075 56.287 0.056 0.000 0.971 357 K CB 0.770 33.330 32.500 0.100 0.000 0.975 357 K HN 0.686 nan 8.250 nan 0.000 0.475 358 L N 3.618 124.867 121.223 0.043 0.000 2.127 358 L HA -0.225 4.117 4.340 0.003 0.000 0.211 358 L C 1.968 178.869 176.870 0.051 0.000 1.089 358 L CA 1.905 56.776 54.840 0.052 0.000 0.757 358 L CB -0.547 41.540 42.059 0.046 0.000 0.899 358 L HN 0.758 nan 8.230 nan 0.000 0.434 359 E N -0.941 119.286 120.200 0.045 0.000 2.268 359 E HA -0.161 4.191 4.350 0.003 0.000 0.195 359 E C 0.795 177.424 176.600 0.048 0.000 0.995 359 E CA 0.222 56.646 56.400 0.040 0.000 0.836 359 E CB -0.230 29.489 29.700 0.032 0.000 0.763 359 E HN 0.233 nan 8.360 nan 0.000 0.491 360 D N 1.753 122.192 120.400 0.064 0.000 2.382 360 D HA -0.071 4.571 4.640 0.003 0.000 0.259 360 D C 0.592 176.942 176.300 0.083 0.000 1.224 360 D CA 0.213 54.259 54.000 0.077 0.000 0.894 360 D CB 1.044 41.920 40.800 0.126 0.000 1.127 360 D HN 0.280 nan 8.370 nan 0.000 0.487 361 E N 2.181 122.425 120.200 0.074 0.000 2.153 361 E HA -0.184 4.167 4.350 0.003 0.000 0.194 361 E C 1.323 177.992 176.600 0.114 0.000 0.988 361 E CA 0.904 57.351 56.400 0.079 0.000 0.811 361 E CB 0.289 30.023 29.700 0.058 0.000 0.746 361 E HN 0.442 nan 8.360 nan 0.000 0.466 362 T N -0.533 114.103 114.554 0.137 0.000 2.833 362 T HA -0.090 4.262 4.350 0.003 0.000 0.269 362 T C 1.661 176.559 174.700 0.330 0.000 1.054 362 T CA 1.130 63.364 62.100 0.224 0.000 1.135 362 T CB 0.045 69.062 68.868 0.248 0.000 0.869 362 T HN 0.031 nan 8.240 nan 0.000 0.466 363 V N 1.477 121.521 119.914 0.217 0.000 2.407 363 V HA -0.074 4.047 4.120 0.003 0.000 0.245 363 V C 2.750 179.005 176.094 0.269 0.000 1.041 363 V CA 1.889 64.308 62.300 0.198 0.000 1.040 363 V CB -0.508 31.306 31.823 -0.015 0.000 0.671 363 V HN 0.643 nan 8.190 nan 0.000 0.455 364 S N 0.893 116.701 115.700 0.181 0.000 2.387 364 S HA -0.041 4.431 4.470 0.003 0.000 0.226 364 S C 2.079 176.781 174.600 0.169 0.000 1.026 364 S CA 1.214 59.507 58.200 0.154 0.000 0.972 364 S CB -0.687 62.567 63.200 0.091 0.000 0.814 364 S HN 0.505 nan 8.310 nan 0.000 0.477 365 G N 0.207 109.105 108.800 0.164 0.000 2.470 365 G HA2 -0.066 3.896 3.960 0.003 0.000 0.220 365 G HA3 -0.066 3.896 3.960 0.003 0.000 0.220 365 G C 1.419 176.446 174.900 0.211 0.000 1.121 365 G CA 1.284 46.488 45.100 0.174 0.000 0.766 365 G HN 0.558 nan 8.290 nan 0.000 0.553 366 T N -1.279 113.403 114.554 0.212 0.000 2.978 366 T HA 0.104 4.456 4.350 0.003 0.000 0.248 366 T C 1.061 175.897 174.700 0.227 0.000 1.018 366 T CA -0.239 61.953 62.100 0.154 0.000 1.026 366 T CB -0.255 68.636 68.868 0.038 0.000 1.032 366 T HN 0.164 nan 8.240 nan 0.000 0.485 367 C N 2.704 122.199 119.300 0.324 0.000 2.651 367 C HA 0.346 4.808 4.460 0.003 0.000 0.410 367 C C 1.956 176.982 174.990 0.060 0.000 1.372 367 C CA -0.326 58.752 59.018 0.099 0.000 1.707 367 C CB -0.758 27.047 27.740 0.109 0.000 2.501 367 C HN 0.353 nan 8.230 nan 0.000 0.598 368 V N 4.466 124.346 119.914 -0.056 0.000 2.795 368 V HA 0.191 4.313 4.120 0.003 0.000 0.243 368 V C 1.154 177.240 176.094 -0.013 0.000 1.069 368 V CA 1.422 63.711 62.300 -0.018 0.000 1.089 368 V CB 0.196 31.974 31.823 -0.074 0.000 0.756 368 V HN 0.915 nan 8.190 nan 0.000 0.471 369 T N 0.072 114.580 114.554 -0.077 0.000 2.923 369 T HA 0.571 4.922 4.350 0.003 0.000 0.311 369 T C -1.336 173.302 174.700 -0.102 0.000 1.183 369 T CA -0.633 61.431 62.100 -0.060 0.000 1.020 369 T CB 1.974 70.816 68.868 -0.043 0.000 1.165 369 T HN 0.228 nan 8.240 nan 0.000 0.482 370 R N 2.695 123.159 120.500 -0.061 0.000 2.522 370 R HA 0.376 4.718 4.340 0.003 0.000 0.283 370 R C -0.843 175.443 176.300 -0.024 0.000 1.074 370 R CA -0.312 55.753 56.100 -0.057 0.000 0.925 370 R CB 0.928 31.204 30.300 -0.041 0.000 1.205 370 R HN 0.872 nan 8.270 nan 0.000 0.436 371 D N 2.607 122.998 120.400 -0.016 0.000 3.039 371 D HA -0.201 4.441 4.640 0.003 0.000 0.222 371 D C 0.616 176.915 176.300 -0.001 0.000 1.179 371 D CA 2.149 56.148 54.000 -0.001 0.000 0.880 371 D CB -0.860 39.943 40.800 0.006 0.000 1.115 371 D HN 1.051 nan 8.370 nan 0.000 0.416 372 G N -1.915 106.882 108.800 -0.006 0.000 2.175 372 G HA2 0.201 4.163 3.960 0.003 0.000 0.182 372 G HA3 0.201 4.163 3.960 0.003 0.000 0.182 372 G C 0.131 175.029 174.900 -0.003 0.000 1.003 372 G CA 0.292 45.390 45.100 -0.003 0.000 0.666 372 G HN 1.243 nan 8.290 nan 0.000 0.506 373 A N -0.201 122.616 122.820 -0.005 0.000 2.455 373 A HA 0.804 5.126 4.320 0.003 0.000 0.300 373 A C -0.129 177.453 177.584 -0.003 0.000 1.040 373 A CA -0.661 51.375 52.037 -0.002 0.000 0.697 373 A CB 1.179 20.179 19.000 0.001 0.000 1.265 373 A HN 0.706 nan 8.150 nan 0.000 0.407 374 I N 2.177 122.749 120.570 0.003 0.000 2.598 374 I HA 0.097 4.269 4.170 0.003 0.000 0.284 374 I C 0.959 177.088 176.117 0.020 0.000 1.140 374 I CA 0.408 61.715 61.300 0.011 0.000 1.420 374 I CB 1.401 39.411 38.000 0.017 0.000 1.387 374 I HN 0.467 nan 8.210 nan 0.000 0.553 375 V N 5.981 125.914 119.914 0.033 0.000 3.562 375 V HA 0.084 4.206 4.120 0.003 0.000 0.270 375 V C 0.761 176.885 176.094 0.051 0.000 1.418 375 V CA 0.043 62.362 62.300 0.032 0.000 1.033 375 V CB -0.029 31.807 31.823 0.021 0.000 0.820 375 V HN 0.689 nan 8.190 nan 0.000 0.441 376 H N 3.224 122.292 119.070 -0.004 0.000 2.767 376 H HA 0.241 4.799 4.556 0.003 0.000 0.316 376 H C -1.684 173.647 175.328 0.006 0.000 1.059 376 H CA -1.247 54.804 56.048 0.005 0.000 1.461 376 H CB 2.113 31.877 29.762 0.003 0.000 1.475 376 H HN 0.209 nan 8.280 nan 0.000 0.531 377 P HA -0.085 nan 4.420 nan 0.000 0.225 377 P C 0.890 178.170 177.300 -0.032 0.000 1.148 377 P CA 0.895 63.909 63.100 -0.143 0.000 0.779 377 P CB 0.122 31.709 31.700 -0.189 0.000 0.780 378 A N -0.766 122.103 122.820 0.081 0.000 2.206 378 A HA 0.075 4.397 4.320 0.003 0.000 0.211 378 A C 1.971 179.637 177.584 0.136 0.000 1.158 378 A CA 0.745 52.883 52.037 0.167 0.000 0.761 378 A CB -0.917 18.252 19.000 0.283 0.000 0.801 378 A HN 0.209 nan 8.150 nan 0.000 0.473 379 L N -2.110 119.197 121.223 0.139 0.000 2.920 379 L HA 0.071 4.413 4.340 0.003 0.000 0.257 379 L C 1.791 178.691 176.870 0.050 0.000 1.150 379 L CA 0.501 55.391 54.840 0.083 0.000 0.959 379 L CB 0.119 42.228 42.059 0.083 0.000 1.321 379 L HN 0.157 nan 8.230 nan 0.000 0.555 380 T N 0.112 114.691 114.554 0.043 0.000 2.962 380 T HA 0.005 4.357 4.350 0.003 0.000 0.270 380 T C 1.042 175.752 174.700 0.017 0.000 1.088 380 T CA 1.088 63.203 62.100 0.024 0.000 1.127 380 T CB -0.127 68.749 68.868 0.013 0.000 0.883 380 T HN 0.420 nan 8.240 nan 0.000 0.493 381 G N 0.000 108.811 108.800 0.019 0.000 5.446 381 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 381 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 381 G CA 0.000 45.109 45.100 0.014 0.000 0.502 381 G HN 0.000 nan 8.290 nan 0.000 0.925