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 1xxh_1_I DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.144 176.094 0.083 0.000 1.182 5 V CA 0.000 62.329 62.300 0.048 0.000 1.235 5 V CB 0.000 31.845 31.823 0.037 0.000 1.184 6 L N 1.005 122.294 121.223 0.110 0.000 2.013 6 L HA -0.155 4.184 4.340 -0.000 0.000 0.212 6 L C 2.982 179.982 176.870 0.217 0.000 1.073 6 L CA 2.731 57.692 54.840 0.202 0.000 0.753 6 L CB -0.799 41.331 42.059 0.119 0.000 0.890 6 L HN 1.059 nan 8.230 nan 0.000 0.432 7 A N 0.230 123.121 122.820 0.118 0.000 1.892 7 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 7 A C 2.363 179.995 177.584 0.080 0.000 1.188 7 A CA 2.303 54.396 52.037 0.094 0.000 0.631 7 A CB -0.534 18.497 19.000 0.051 0.000 0.822 7 A HN 0.338 nan 8.150 nan 0.000 0.447 8 R N 0.041 120.572 120.500 0.051 0.000 2.090 8 R HA -0.027 4.313 4.340 -0.000 0.000 0.228 8 R C 2.128 178.415 176.300 -0.021 0.000 1.110 8 R CA 1.997 58.103 56.100 0.011 0.000 0.973 8 R CB -0.424 29.875 30.300 -0.002 0.000 0.869 8 R HN 0.548 nan 8.270 nan 0.000 0.440 9 K N -1.184 119.207 120.400 -0.015 0.000 2.097 9 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 9 K C 0.305 176.685 176.600 -0.368 0.000 1.050 9 K CA 1.337 57.524 56.287 -0.167 0.000 0.938 9 K CB -0.065 32.362 32.500 -0.122 0.000 0.718 9 K HN 0.230 nan 8.250 nan 0.000 0.442 10 W N 1.898 123.182 121.300 -0.026 0.000 3.151 10 W HA 0.237 4.897 4.660 -0.000 0.000 0.424 10 W C -0.115 176.387 176.519 -0.028 0.000 1.012 10 W CA -0.894 56.436 57.345 -0.025 0.000 2.018 10 W CB 0.273 29.719 29.460 -0.023 0.000 1.087 10 W HN -0.080 nan 8.180 nan 0.000 0.740 11 R N 1.939 122.464 120.500 0.041 0.000 2.489 11 R HA 0.152 4.492 4.340 -0.000 0.000 0.287 11 R C -2.380 173.915 176.300 -0.008 0.000 1.053 11 R CA -1.334 54.772 56.100 0.010 0.000 1.036 11 R CB -0.069 30.211 30.300 -0.033 0.000 0.966 11 R HN -0.155 nan 8.270 nan 0.000 0.432 12 P HA -0.005 nan 4.420 nan 0.000 0.262 12 P C -0.701 176.566 177.300 -0.055 0.000 1.182 12 P CA 0.263 63.349 63.100 -0.023 0.000 0.761 12 P CB 0.809 32.468 31.700 -0.067 0.000 0.795 13 Q N 0.914 120.693 119.800 -0.034 0.000 2.317 13 Q HA 0.122 4.462 4.340 -0.000 0.000 0.220 13 Q C 0.254 176.256 176.000 0.003 0.000 0.873 13 Q CA 0.464 56.244 55.803 -0.039 0.000 0.936 13 Q CB 0.564 29.271 28.738 -0.052 0.000 1.105 13 Q HN 0.619 nan 8.270 nan 0.000 0.520 14 T N -4.893 109.683 114.554 0.036 0.000 2.868 14 T HA 0.343 4.693 4.350 -0.000 0.000 0.306 14 T C 0.220 175.023 174.700 0.172 0.000 1.224 14 T CA -0.748 61.431 62.100 0.132 0.000 1.012 14 T CB -0.040 68.886 68.868 0.098 0.000 1.221 14 T HN 0.008 nan 8.240 nan 0.000 0.499 15 F N 0.798 120.715 119.950 -0.055 0.000 2.216 15 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 15 F C 2.929 178.706 175.800 -0.038 0.000 1.085 15 F CA 0.880 58.843 58.000 -0.061 0.000 1.326 15 F CB -0.276 38.684 39.000 -0.068 0.000 1.027 15 F HN 0.790 nan 8.300 nan 0.000 0.497 16 A N -0.418 122.506 122.820 0.173 0.000 2.067 16 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 16 A C 1.607 179.234 177.584 0.072 0.000 1.158 16 A CA 1.699 53.793 52.037 0.095 0.000 0.661 16 A CB -0.496 18.546 19.000 0.071 0.000 0.801 16 A HN 0.217 nan 8.150 nan 0.000 0.452 17 D N -0.518 119.926 120.400 0.073 0.000 2.355 17 D HA 0.082 4.722 4.640 -0.000 0.000 0.218 17 D C 0.223 176.554 176.300 0.051 0.000 1.004 17 D CA 0.289 54.338 54.000 0.081 0.000 0.880 17 D CB 0.043 40.896 40.800 0.088 0.000 0.911 17 D HN 0.164 nan 8.370 nan 0.000 0.528 18 V N 1.985 121.905 119.914 0.010 0.000 2.470 18 V HA 0.042 4.162 4.120 -0.000 0.000 0.276 18 V C 0.609 176.698 176.094 -0.007 0.000 1.040 18 V CA -0.416 61.865 62.300 -0.032 0.000 1.008 18 V CB 1.451 33.209 31.823 -0.110 0.000 0.990 18 V HN -0.190 nan 8.190 nan 0.000 0.477 19 V N 4.515 124.427 119.914 -0.003 0.000 2.530 19 V HA 0.405 4.525 4.120 -0.000 0.000 0.282 19 V C 1.365 177.461 176.094 0.005 0.000 1.048 19 V CA 0.300 62.603 62.300 0.006 0.000 0.997 19 V CB 0.910 32.741 31.823 0.013 0.000 0.987 19 V HN 1.181 nan 8.190 nan 0.000 0.477 20 G N 4.472 113.280 108.800 0.014 0.000 2.359 20 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.278 20 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.278 20 G C 0.390 175.329 174.900 0.065 0.000 0.872 20 G CA 0.332 45.453 45.100 0.036 0.000 1.185 20 G HN 0.717 nan 8.290 nan 0.000 0.474 21 Q N -0.768 119.058 119.800 0.045 0.000 2.215 21 Q HA 0.212 4.552 4.340 -0.000 0.000 0.337 21 Q C 1.340 177.341 176.000 0.002 0.000 0.887 21 Q CA -0.237 55.590 55.803 0.041 0.000 1.134 21 Q CB 0.552 29.259 28.738 -0.052 0.000 1.303 21 Q HN 0.619 nan 8.270 nan 0.000 0.421 22 E N 0.743 121.010 120.200 0.112 0.000 2.086 22 E HA -0.256 4.094 4.350 -0.000 0.000 0.205 22 E C 1.760 178.430 176.600 0.116 0.000 1.027 22 E CA 2.191 58.656 56.400 0.107 0.000 0.830 22 E CB -0.278 29.495 29.700 0.121 0.000 0.751 22 E HN 0.560 nan 8.360 nan 0.000 0.456 23 H N -0.247 118.869 119.070 0.077 0.000 2.422 23 H HA -0.055 4.501 4.556 -0.000 0.000 0.298 23 H C 1.960 177.373 175.328 0.142 0.000 1.098 23 H CA 1.572 57.685 56.048 0.108 0.000 1.315 23 H CB -0.792 29.042 29.762 0.120 0.000 1.382 23 H HN 0.122 nan 8.280 nan 0.000 0.523 24 V N 1.537 121.167 119.914 -0.474 0.000 2.446 24 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 24 V C 3.102 179.060 176.094 -0.227 0.000 1.039 24 V CA 1.035 63.122 62.300 -0.355 0.000 1.045 24 V CB -0.499 31.076 31.823 -0.414 0.000 0.681 24 V HN 0.229 nan 8.190 nan 0.000 0.459 25 L N -0.200 120.952 121.223 -0.117 0.000 2.093 25 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 25 L C 2.588 179.513 176.870 0.091 0.000 1.085 25 L CA 1.723 56.588 54.840 0.042 0.000 0.755 25 L CB -1.030 41.076 42.059 0.079 0.000 0.904 25 L HN 0.337 nan 8.230 nan 0.000 0.435 26 T N -0.072 114.518 114.554 0.060 0.000 2.821 26 T HA -0.101 4.248 4.350 -0.000 0.000 0.267 26 T C 2.010 176.758 174.700 0.079 0.000 1.046 26 T CA 1.304 63.447 62.100 0.070 0.000 1.139 26 T CB -0.077 68.841 68.868 0.084 0.000 0.871 26 T HN 0.441 nan 8.240 nan 0.000 0.454 27 A N 0.985 123.864 122.820 0.098 0.000 1.897 27 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 27 A C 2.273 179.935 177.584 0.130 0.000 1.181 27 A CA 0.894 53.026 52.037 0.158 0.000 0.620 27 A CB -0.704 18.489 19.000 0.322 0.000 0.821 27 A HN 0.442 nan 8.150 nan 0.000 0.443 28 L N -0.738 120.501 121.223 0.027 0.000 2.046 28 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 28 L C 3.098 180.014 176.870 0.076 0.000 1.077 28 L CA 1.071 55.950 54.840 0.065 0.000 0.747 28 L CB -0.524 41.576 42.059 0.068 0.000 0.896 28 L HN 0.456 nan 8.230 nan 0.000 0.432 29 A N 0.293 123.127 122.820 0.024 0.000 1.898 29 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 29 A C 2.020 179.585 177.584 -0.033 0.000 1.181 29 A CA 2.114 54.086 52.037 -0.109 0.000 0.620 29 A CB -0.739 18.182 19.000 -0.132 0.000 0.819 29 A HN 0.486 nan 8.150 nan 0.000 0.442 30 N N -0.098 118.619 118.700 0.028 0.000 2.084 30 N HA -0.069 4.671 4.740 -0.000 0.000 0.190 30 N C 1.781 177.336 175.510 0.076 0.000 1.030 30 N CA 2.183 55.263 53.050 0.050 0.000 0.849 30 N CB -0.615 37.916 38.487 0.074 0.000 1.012 30 N HN 0.290 nan 8.380 nan 0.000 0.423 31 G N 0.626 109.500 108.800 0.123 0.000 2.446 31 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 31 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 31 G C 1.601 176.583 174.900 0.136 0.000 1.168 31 G CA 0.836 46.040 45.100 0.174 0.000 0.771 31 G HN 0.324 nan 8.290 nan 0.000 0.551 32 L N 1.314 122.593 121.223 0.092 0.000 2.017 32 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 32 L C 3.385 180.272 176.870 0.028 0.000 1.073 32 L CA 1.714 56.584 54.840 0.051 0.000 0.745 32 L CB -0.486 41.554 42.059 -0.032 0.000 0.894 32 L HN 0.464 nan 8.230 nan 0.000 0.432 33 S N -0.186 115.512 115.700 -0.003 0.000 2.400 33 S HA -0.160 4.310 4.470 -0.000 0.000 0.232 33 S C 1.682 176.296 174.600 0.023 0.000 1.025 33 S CA 1.001 59.198 58.200 -0.006 0.000 0.993 33 S CB -0.494 62.692 63.200 -0.023 0.000 0.808 33 S HN 0.417 nan 8.310 nan 0.000 0.478 34 L N 1.163 122.413 121.223 0.044 0.000 2.653 34 L HA 0.316 4.656 4.340 -0.000 0.000 0.231 34 L C 1.568 178.477 176.870 0.064 0.000 1.153 34 L CA 0.223 55.093 54.840 0.050 0.000 0.933 34 L CB -0.723 41.369 42.059 0.055 0.000 1.175 34 L HN 0.617 nan 8.230 nan 0.000 0.473 35 G N 1.377 110.224 108.800 0.077 0.000 2.249 35 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.273 35 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.273 35 G C 0.439 175.401 174.900 0.104 0.000 1.036 35 G CA 0.093 45.252 45.100 0.098 0.000 0.824 35 G HN 0.382 nan 8.290 nan 0.000 0.504 36 R N 0.389 120.958 120.500 0.114 0.000 2.522 36 R HA 0.400 4.740 4.340 -0.000 0.000 0.290 36 R C -0.139 176.260 176.300 0.164 0.000 1.216 36 R CA -0.590 55.570 56.100 0.100 0.000 1.250 36 R CB -0.060 30.309 30.300 0.113 0.000 1.143 36 R HN 0.195 nan 8.270 nan 0.000 0.553 37 I N 3.967 124.614 120.570 0.128 0.000 2.354 37 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 37 I C 0.270 176.446 176.117 0.099 0.000 0.989 37 I CA -1.053 60.380 61.300 0.222 0.000 1.188 37 I CB 0.986 39.083 38.000 0.162 0.000 1.342 37 I HN 0.427 nan 8.210 nan 0.000 0.457 38 H N 4.380 123.464 119.070 0.022 0.000 2.508 38 H HA 0.253 4.809 4.556 -0.000 0.000 0.358 38 H C 1.342 176.630 175.328 -0.067 0.000 1.212 38 H CA -0.320 55.655 56.048 -0.121 0.000 1.356 38 H CB 0.708 30.216 29.762 -0.423 0.000 1.525 38 H HN 0.521 nan 8.280 nan 0.000 0.578 39 H N -0.534 118.553 119.070 0.029 0.000 2.535 39 H HA 0.379 4.935 4.556 -0.000 0.000 0.273 39 H C -0.273 175.143 175.328 0.147 0.000 0.983 39 H CA 0.596 56.697 56.048 0.089 0.000 1.238 39 H CB 0.222 30.041 29.762 0.094 0.000 1.412 39 H HN 0.450 nan 8.280 nan 0.000 0.562 40 A N 0.338 122.872 122.820 -0.477 0.000 2.488 40 A HA 0.557 4.876 4.320 -0.000 0.000 0.298 40 A C -1.998 175.379 177.584 -0.345 0.000 1.044 40 A CA -0.706 51.195 52.037 -0.226 0.000 0.693 40 A CB 1.285 20.100 19.000 -0.308 0.000 1.272 40 A HN 0.187 nan 8.150 nan 0.000 0.402 41 Y N 0.740 120.997 120.300 -0.071 0.000 2.446 41 Y HA 0.683 5.233 4.550 -0.000 0.000 0.345 41 Y C -0.191 175.543 175.900 -0.277 0.000 0.984 41 Y CA -0.847 57.139 58.100 -0.190 0.000 1.058 41 Y CB 2.231 40.624 38.460 -0.112 0.000 1.220 41 Y HN 0.681 nan 8.280 nan 0.000 0.455 42 L N 4.086 125.114 121.223 -0.324 0.000 2.356 42 L HA 0.589 4.929 4.340 -0.000 0.000 0.277 42 L C -1.881 174.716 176.870 -0.456 0.000 0.996 42 L CA -0.674 54.005 54.840 -0.268 0.000 0.822 42 L CB 0.938 42.876 42.059 -0.201 0.000 1.256 42 L HN 0.560 nan 8.230 nan 0.000 0.413 43 F N 2.958 122.969 119.950 0.103 0.000 2.427 43 F HA 0.439 4.966 4.527 -0.000 0.000 0.348 43 F C 0.466 176.294 175.800 0.047 0.000 1.125 43 F CA -0.458 57.592 58.000 0.083 0.000 0.989 43 F CB 2.061 41.097 39.000 0.060 0.000 1.165 43 F HN 0.396 nan 8.300 nan 0.000 0.442 44 S N 1.971 117.764 115.700 0.155 0.000 2.648 44 S HA 1.029 5.499 4.470 -0.000 0.000 0.305 44 S C -0.287 174.404 174.600 0.151 0.000 1.094 44 S CA -0.315 57.958 58.200 0.121 0.000 0.983 44 S CB 2.166 65.406 63.200 0.066 0.000 1.101 44 S HN 1.362 nan 8.310 nan 0.000 0.514 45 G N 0.544 109.418 108.800 0.124 0.000 2.361 45 G HA2 0.382 4.342 3.960 -0.000 0.000 0.305 45 G HA3 0.382 4.342 3.960 -0.000 0.000 0.305 45 G C -0.293 174.656 174.900 0.082 0.000 1.367 45 G CA -0.183 44.986 45.100 0.115 0.000 0.951 45 G HN 1.387 nan 8.290 nan 0.000 0.615 46 T N -0.715 113.880 114.554 0.068 0.000 2.885 46 T HA 0.546 4.896 4.350 -0.000 0.000 0.356 46 T C 0.673 175.403 174.700 0.050 0.000 1.137 46 T CA -0.263 61.869 62.100 0.052 0.000 1.014 46 T CB 0.383 69.276 68.868 0.042 0.000 1.410 46 T HN 0.576 nan 8.240 nan 0.000 0.532 47 R N 0.768 121.293 120.500 0.042 0.000 2.442 47 R HA 0.380 4.720 4.340 -0.000 0.000 0.291 47 R C 1.415 177.733 176.300 0.029 0.000 1.069 47 R CA 0.618 56.740 56.100 0.037 0.000 1.022 47 R CB -0.161 30.159 30.300 0.033 0.000 0.976 47 R HN 1.181 nan 8.270 nan 0.000 0.443 48 G N 1.714 110.529 108.800 0.024 0.000 2.356 48 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.296 48 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.296 48 G C 0.603 175.510 174.900 0.012 0.000 1.022 48 G CA 0.667 45.776 45.100 0.015 0.000 0.961 48 G HN 0.547 nan 8.290 nan 0.000 0.510 49 V N -3.934 115.989 119.914 0.015 0.000 3.660 49 V HA 0.667 4.787 4.120 -0.000 0.000 0.276 49 V C 1.718 177.807 176.094 -0.008 0.000 1.317 49 V CA 1.075 63.384 62.300 0.016 0.000 1.097 49 V CB 0.276 32.122 31.823 0.039 0.000 0.863 49 V HN 2.119 nan 8.190 nan 0.000 0.438 50 G N 0.507 109.289 108.800 -0.031 0.000 2.164 50 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.154 50 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.154 50 G C 0.609 175.421 174.900 -0.146 0.000 1.014 50 G CA 0.229 45.278 45.100 -0.085 0.000 0.683 50 G HN 0.421 nan 8.290 nan 0.000 0.500 51 K N -0.046 120.297 120.400 -0.095 0.000 2.009 51 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 51 K C 2.509 178.959 176.600 -0.250 0.000 1.049 51 K CA 1.974 58.183 56.287 -0.130 0.000 0.929 51 K CB -0.345 32.171 32.500 0.026 0.000 0.714 51 K HN 0.308 nan 8.250 nan 0.000 0.440 52 T N 0.936 115.404 114.554 -0.144 0.000 2.821 52 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 52 T C 2.147 176.720 174.700 -0.210 0.000 1.046 52 T CA 1.324 63.338 62.100 -0.143 0.000 1.139 52 T CB -0.152 68.676 68.868 -0.066 0.000 0.871 52 T HN 0.132 nan 8.240 nan 0.000 0.454 53 S N 1.253 116.829 115.700 -0.206 0.000 2.359 53 S HA -0.018 4.452 4.470 -0.000 0.000 0.224 53 S C 2.048 176.434 174.600 -0.357 0.000 1.035 53 S CA 1.008 59.073 58.200 -0.225 0.000 1.018 53 S CB -0.417 62.675 63.200 -0.179 0.000 0.876 53 S HN 0.418 nan 8.310 nan 0.000 0.448 54 I N 1.493 121.772 120.570 -0.486 0.000 2.252 54 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 54 I C 2.716 178.363 176.117 -0.782 0.000 1.102 54 I CA 1.011 61.885 61.300 -0.711 0.000 1.385 54 I CB -0.568 36.968 38.000 -0.774 0.000 1.064 54 I HN 0.266 nan 8.210 nan 0.000 0.414 55 A N 0.689 123.013 122.820 -0.828 0.000 1.908 55 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 55 A C 2.446 179.853 177.584 -0.294 0.000 1.181 55 A CA 1.575 53.271 52.037 -0.569 0.000 0.627 55 A CB -0.637 18.175 19.000 -0.313 0.000 0.818 55 A HN 0.292 nan 8.150 nan 0.000 0.445 56 R N -0.727 119.619 120.500 -0.256 0.000 2.096 56 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 56 R C 2.041 178.243 176.300 -0.163 0.000 1.127 56 R CA 1.387 57.388 56.100 -0.165 0.000 0.968 56 R CB -0.381 29.836 30.300 -0.140 0.000 0.861 56 R HN 0.580 nan 8.270 nan 0.000 0.440 57 L N 0.307 121.383 121.223 -0.246 0.000 2.056 57 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 57 L C 2.401 179.253 176.870 -0.029 0.000 1.078 57 L CA 0.513 55.248 54.840 -0.176 0.000 0.749 57 L CB -0.440 41.347 42.059 -0.453 0.000 0.901 57 L HN 0.217 nan 8.230 nan 0.000 0.433 58 L N 0.493 121.633 121.223 -0.138 0.000 2.012 58 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 58 L C 2.633 179.479 176.870 -0.039 0.000 1.073 58 L CA 2.096 56.916 54.840 -0.034 0.000 0.748 58 L CB -0.796 41.151 42.059 -0.187 0.000 0.891 58 L HN 0.145 nan 8.230 nan 0.000 0.431 59 A N -0.817 121.965 122.820 -0.062 0.000 1.933 59 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 59 A C 2.465 180.049 177.584 -0.000 0.000 1.175 59 A CA 1.987 54.014 52.037 -0.016 0.000 0.628 59 A CB -0.598 18.399 19.000 -0.006 0.000 0.814 59 A HN 0.515 nan 8.150 nan 0.000 0.444 60 K N -0.907 119.477 120.400 -0.027 0.000 2.057 60 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 60 K C 2.049 178.649 176.600 -0.000 0.000 1.050 60 K CA 1.172 57.430 56.287 -0.047 0.000 0.935 60 K CB -0.441 32.033 32.500 -0.043 0.000 0.715 60 K HN 0.428 nan 8.250 nan 0.000 0.439 61 G N 0.806 109.639 108.800 0.055 0.000 2.422 61 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 61 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 61 G C 1.396 176.333 174.900 0.062 0.000 1.140 61 G CA 0.477 45.605 45.100 0.047 0.000 0.775 61 G HN 0.173 nan 8.290 nan 0.000 0.545 62 L N 0.017 121.293 121.223 0.089 0.000 2.156 62 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 62 L C 1.930 178.982 176.870 0.304 0.000 1.095 62 L CA 0.633 55.591 54.840 0.197 0.000 0.770 62 L CB -0.049 42.077 42.059 0.113 0.000 0.914 62 L HN 0.110 nan 8.230 nan 0.000 0.439 63 N N -1.299 117.507 118.700 0.177 0.000 2.187 63 N HA 0.049 4.789 4.740 -0.000 0.000 0.212 63 N C -0.026 175.497 175.510 0.022 0.000 1.152 63 N CA -0.063 53.073 53.050 0.144 0.000 0.872 63 N CB 0.370 38.964 38.487 0.178 0.000 1.025 63 N HN 0.166 nan 8.380 nan 0.000 0.514 64 C N 1.818 121.118 119.300 -0.000 0.000 2.596 64 C HA 0.022 4.482 4.460 -0.000 0.000 0.414 64 C C 1.935 176.917 174.990 -0.014 0.000 1.396 64 C CA 0.021 59.018 59.018 -0.035 0.000 1.698 64 C CB -0.325 27.399 27.740 -0.026 0.000 2.572 64 C HN 0.466 nan 8.230 nan 0.000 0.604 65 E N 1.782 121.966 120.200 -0.026 0.000 2.209 65 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 65 E C 2.031 178.625 176.600 -0.010 0.000 0.993 65 E CA 1.647 58.040 56.400 -0.012 0.000 0.819 65 E CB -0.007 29.684 29.700 -0.015 0.000 0.745 65 E HN 0.880 nan 8.360 nan 0.000 0.477 66 T N -0.421 114.124 114.554 -0.014 0.000 2.881 66 T HA 0.041 4.391 4.350 -0.000 0.000 0.270 66 T C 0.480 175.177 174.700 -0.005 0.000 1.068 66 T CA 1.007 63.100 62.100 -0.012 0.000 1.131 66 T CB -0.016 68.842 68.868 -0.018 0.000 0.871 66 T HN 0.451 nan 8.240 nan 0.000 0.479 67 G N -0.230 108.572 108.800 0.003 0.000 2.340 67 G HA2 0.063 4.023 3.960 -0.000 0.000 0.527 67 G HA3 0.063 4.023 3.960 -0.000 0.000 0.527 67 G C -1.058 173.862 174.900 0.033 0.000 1.381 67 G CA -1.040 44.069 45.100 0.016 0.000 1.001 67 G HN 0.269 nan 8.290 nan 0.000 0.626 68 I N 1.606 122.214 120.570 0.063 0.000 2.671 68 I HA 0.371 4.541 4.170 -0.000 0.000 0.285 68 I C 0.927 177.068 176.117 0.041 0.000 1.148 68 I CA 0.862 62.219 61.300 0.096 0.000 1.386 68 I CB 0.680 38.774 38.000 0.156 0.000 1.406 68 I HN 0.617 nan 8.210 nan 0.000 0.540 69 T N 3.948 118.506 114.554 0.007 0.000 2.883 69 T HA 0.570 4.920 4.350 -0.000 0.000 0.301 69 T C 0.413 175.032 174.700 -0.135 0.000 1.158 69 T CA -0.234 61.835 62.100 -0.051 0.000 1.007 69 T CB 1.765 70.601 68.868 -0.053 0.000 1.186 69 T HN 0.538 nan 8.240 nan 0.000 0.499 70 A N 1.684 124.366 122.820 -0.230 0.000 2.251 70 A HA 0.325 4.645 4.320 -0.000 0.000 0.209 70 A C 1.011 178.259 177.584 -0.560 0.000 1.187 70 A CA 0.822 52.549 52.037 -0.517 0.000 0.823 70 A CB -0.420 18.298 19.000 -0.471 0.000 0.846 70 A HN 0.991 nan 8.150 nan 0.000 0.486 71 T N -1.354 113.042 114.554 -0.263 0.000 3.410 71 T HA 0.484 4.834 4.350 -0.000 0.000 0.328 71 T C -3.079 171.577 174.700 -0.073 0.000 1.567 71 T CA -1.853 60.154 62.100 -0.155 0.000 1.626 71 T CB 0.613 69.416 68.868 -0.108 0.000 0.939 71 T HN -0.049 nan 8.240 nan 0.000 0.656 72 P HA 0.050 nan 4.420 nan 0.000 0.263 72 P C 1.614 178.898 177.300 -0.027 0.000 1.175 72 P CA -0.416 62.670 63.100 -0.023 0.000 0.761 72 P CB 0.363 32.063 31.700 -0.001 0.000 0.794 73 C N 1.723 121.003 119.300 -0.034 0.000 2.425 73 C HA 0.091 4.551 4.460 -0.000 0.000 0.277 73 C C 1.965 176.935 174.990 -0.034 0.000 1.280 73 C CA 0.948 59.947 59.018 -0.031 0.000 1.744 73 C CB -1.793 25.927 27.740 -0.032 0.000 1.989 73 C HN 0.775 nan 8.230 nan 0.000 0.491 74 G N 0.033 108.806 108.800 -0.045 0.000 2.179 74 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 74 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 74 G C 0.775 175.642 174.900 -0.055 0.000 0.977 74 G CA 0.952 46.021 45.100 -0.052 0.000 0.641 74 G HN 1.708 nan 8.290 nan 0.000 0.533 75 V N -2.042 117.842 119.914 -0.049 0.000 3.548 75 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 75 V C 1.764 177.831 176.094 -0.046 0.000 1.446 75 V CA 0.465 62.738 62.300 -0.045 0.000 1.023 75 V CB -0.857 30.946 31.823 -0.034 0.000 0.820 75 V HN 1.349 nan 8.190 nan 0.000 0.438 76 C N 0.487 119.755 119.300 -0.053 0.000 2.580 76 C HA 0.423 4.883 4.460 -0.000 0.000 0.371 76 C C 1.735 176.687 174.990 -0.065 0.000 1.308 76 C CA 0.289 59.277 59.018 -0.051 0.000 2.428 76 C CB 0.786 28.495 27.740 -0.052 0.000 2.529 76 C HN 0.523 nan 8.230 nan 0.000 0.657 77 D N 1.276 121.648 120.400 -0.046 0.000 2.123 77 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 77 D C 1.756 177.999 176.300 -0.094 0.000 0.992 77 D CA 1.739 55.716 54.000 -0.038 0.000 0.833 77 D CB -0.371 40.432 40.800 0.006 0.000 0.954 77 D HN 0.674 nan 8.370 nan 0.000 0.455 78 N N 0.352 118.961 118.700 -0.151 0.000 2.069 78 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 78 N C 2.003 177.190 175.510 -0.538 0.000 1.031 78 N CA 0.741 53.511 53.050 -0.467 0.000 0.852 78 N CB -0.858 37.401 38.487 -0.380 0.000 1.018 78 N HN 0.205 nan 8.380 nan 0.000 0.423 79 C N 0.846 119.968 119.300 -0.296 0.000 2.432 79 C HA -0.028 4.432 4.460 -0.000 0.000 0.277 79 C C 2.629 177.510 174.990 -0.182 0.000 1.249 79 C CA 0.443 59.326 59.018 -0.224 0.000 1.725 79 C CB -0.870 26.790 27.740 -0.134 0.000 2.028 79 C HN 0.471 nan 8.230 nan 0.000 0.477 80 R N 0.508 120.926 120.500 -0.137 0.000 2.081 80 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 80 R C 2.092 178.342 176.300 -0.083 0.000 1.131 80 R CA 1.438 57.483 56.100 -0.093 0.000 0.960 80 R CB -0.359 29.904 30.300 -0.062 0.000 0.856 80 R HN 0.653 nan 8.270 nan 0.000 0.436 81 E N 0.586 120.733 120.200 -0.088 0.000 2.077 81 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 81 E C 2.029 178.621 176.600 -0.013 0.000 0.989 81 E CA 0.979 57.375 56.400 -0.007 0.000 0.800 81 E CB -0.057 29.722 29.700 0.131 0.000 0.746 81 E HN 0.304 nan 8.360 nan 0.000 0.452 82 I N 0.950 121.423 120.570 -0.162 0.000 2.226 82 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 82 I C 2.485 178.564 176.117 -0.063 0.000 1.100 82 I CA 0.985 62.220 61.300 -0.108 0.000 1.374 82 I CB -0.117 37.736 38.000 -0.244 0.000 1.057 82 I HN 0.076 nan 8.210 nan 0.000 0.413 83 E N 1.097 121.244 120.200 -0.088 0.000 2.085 83 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 83 E C 2.107 178.679 176.600 -0.047 0.000 0.994 83 E CA 1.631 57.988 56.400 -0.071 0.000 0.801 83 E CB -0.150 29.502 29.700 -0.079 0.000 0.743 83 E HN 0.474 nan 8.360 nan 0.000 0.453 84 Q N -1.499 118.281 119.800 -0.033 0.000 2.436 84 Q HA 0.087 4.427 4.340 -0.000 0.000 0.209 84 Q C 1.021 177.020 176.000 -0.002 0.000 0.965 84 Q CA 0.618 56.411 55.803 -0.017 0.000 0.910 84 Q CB 0.250 28.983 28.738 -0.008 0.000 0.980 84 Q HN 0.437 nan 8.270 nan 0.000 0.491 85 G N 1.499 110.305 108.800 0.009 0.000 2.143 85 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 85 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 85 G C 0.457 175.380 174.900 0.039 0.000 0.991 85 G CA 0.392 45.505 45.100 0.022 0.000 0.689 85 G HN 0.199 nan 8.290 nan 0.000 0.522 86 R N -0.686 119.851 120.500 0.061 0.000 2.767 86 R HA 0.486 4.826 4.340 -0.000 0.000 0.377 86 R C -0.315 176.064 176.300 0.132 0.000 1.151 86 R CA -0.773 55.365 56.100 0.063 0.000 1.046 86 R CB -0.329 29.995 30.300 0.040 0.000 1.404 86 R HN 0.221 nan 8.270 nan 0.000 0.580 87 F N 0.104 120.030 119.950 -0.041 0.000 2.405 87 F HA 0.188 4.715 4.527 -0.000 0.000 0.355 87 F C 1.218 176.985 175.800 -0.054 0.000 1.121 87 F CA -0.943 57.031 58.000 -0.042 0.000 1.112 87 F CB 1.255 40.231 39.000 -0.040 0.000 1.126 87 F HN -0.118 nan 8.300 nan 0.000 0.481 88 V N 4.821 124.444 119.914 -0.483 0.000 2.568 88 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 88 V C 1.026 176.775 176.094 -0.575 0.000 1.072 88 V CA 2.414 64.443 62.300 -0.450 0.000 1.084 88 V CB -0.351 31.258 31.823 -0.357 0.000 0.676 88 V HN 0.746 nan 8.190 nan 0.000 0.469 89 D N -0.167 119.610 120.400 -1.039 0.000 2.368 89 D HA 0.208 4.848 4.640 -0.000 0.000 0.218 89 D C 0.029 176.165 176.300 -0.273 0.000 1.112 89 D CA -0.017 53.612 54.000 -0.618 0.000 0.834 89 D CB 0.798 41.271 40.800 -0.545 0.000 0.953 89 D HN 0.418 nan 8.370 nan 0.000 0.505 90 L N 1.457 122.585 121.223 -0.159 0.000 2.366 90 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 90 L C -0.954 175.838 176.870 -0.129 0.000 1.010 90 L CA -0.454 54.380 54.840 -0.011 0.000 0.879 90 L CB 0.701 42.881 42.059 0.201 0.000 1.228 90 L HN -0.172 nan 8.230 nan 0.000 0.439 91 I N 4.035 124.433 120.570 -0.287 0.000 2.291 91 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 91 I C 0.200 176.253 176.117 -0.106 0.000 1.064 91 I CA -0.241 60.898 61.300 -0.268 0.000 1.269 91 I CB 0.720 38.396 38.000 -0.540 0.000 1.418 91 I HN 0.557 nan 8.210 nan 0.000 0.485 92 E N 6.985 127.166 120.200 -0.032 0.000 2.194 92 E HA 0.458 4.808 4.350 -0.000 0.000 0.284 92 E C -0.676 175.954 176.600 0.050 0.000 1.035 92 E CA -0.287 56.126 56.400 0.022 0.000 0.836 92 E CB 1.533 31.242 29.700 0.015 0.000 1.070 92 E HN 0.478 nan 8.360 nan 0.000 0.401 93 I N 2.568 123.191 120.570 0.088 0.000 2.433 93 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 93 I C -0.535 175.622 176.117 0.067 0.000 1.001 93 I CA -0.716 60.638 61.300 0.091 0.000 1.119 93 I CB 1.735 39.820 38.000 0.142 0.000 1.289 93 I HN 0.377 nan 8.210 nan 0.000 0.438 94 D N 5.043 125.467 120.400 0.041 0.000 2.472 94 D HA 0.411 5.051 4.640 -0.000 0.000 0.234 94 D C 0.687 176.988 176.300 0.002 0.000 1.088 94 D CA -0.359 53.655 54.000 0.024 0.000 0.882 94 D CB 1.812 42.621 40.800 0.016 0.000 1.037 94 D HN 0.615 nan 8.370 nan 0.000 0.520 95 A N 3.121 125.933 122.820 -0.012 0.000 2.067 95 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 95 A C 1.882 179.419 177.584 -0.079 0.000 1.158 95 A CA 1.415 53.417 52.037 -0.059 0.000 0.661 95 A CB -0.112 18.833 19.000 -0.092 0.000 0.801 95 A HN 0.550 nan 8.150 nan 0.000 0.452 96 A N -0.792 121.993 122.820 -0.059 0.000 2.208 96 A HA 0.306 4.626 4.320 -0.000 0.000 0.209 96 A C 1.347 178.912 177.584 -0.031 0.000 1.161 96 A CA 0.715 52.719 52.037 -0.055 0.000 0.782 96 A CB -0.380 18.600 19.000 -0.034 0.000 0.816 96 A HN 0.406 nan 8.150 nan 0.000 0.477 97 S N -0.379 115.308 115.700 -0.022 0.000 2.499 97 S HA 0.286 4.756 4.470 -0.000 0.000 0.275 97 S C 1.090 175.680 174.600 -0.016 0.000 1.257 97 S CA -0.557 57.636 58.200 -0.013 0.000 1.050 97 S CB 0.407 63.604 63.200 -0.005 0.000 0.937 97 S HN 0.515 nan 8.310 nan 0.000 0.490 98 R N 2.525 123.018 120.500 -0.013 0.000 2.189 98 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 98 R C 1.599 177.893 176.300 -0.010 0.000 1.074 98 R CA 1.501 57.593 56.100 -0.013 0.000 0.991 98 R CB -0.211 30.084 30.300 -0.009 0.000 0.883 98 R HN 0.619 nan 8.270 nan 0.000 0.457 99 T N 0.375 114.925 114.554 -0.007 0.000 3.035 99 T HA 0.034 4.384 4.350 -0.000 0.000 0.259 99 T C 1.022 175.720 174.700 -0.003 0.000 1.078 99 T CA 0.801 62.899 62.100 -0.004 0.000 1.132 99 T CB 0.204 69.071 68.868 -0.002 0.000 0.900 99 T HN 0.154 nan 8.240 nan 0.000 0.480 100 K N 2.119 122.517 120.400 -0.003 0.000 2.570 100 K HA 0.232 4.552 4.320 -0.000 0.000 0.210 100 K C 1.652 178.252 176.600 -0.001 0.000 1.048 100 K CA -0.074 56.214 56.287 0.001 0.000 1.167 100 K CB 0.252 32.756 32.500 0.006 0.000 0.892 100 K HN 0.222 nan 8.250 nan 0.000 0.480 101 V N -1.533 118.377 119.914 -0.008 0.000 2.407 101 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 101 V C 2.131 178.221 176.094 -0.006 0.000 1.055 101 V CA 1.682 63.974 62.300 -0.014 0.000 1.049 101 V CB -0.484 31.327 31.823 -0.021 0.000 0.662 101 V HN 0.384 nan 8.190 nan 0.000 0.455 102 E N 0.508 120.706 120.200 -0.002 0.000 2.028 102 E HA -0.224 4.126 4.350 -0.000 0.000 0.190 102 E C 2.031 178.641 176.600 0.016 0.000 0.984 102 E CA 1.326 57.727 56.400 0.003 0.000 0.800 102 E CB -0.156 29.544 29.700 0.001 0.000 0.758 102 E HN 0.599 nan 8.360 nan 0.000 0.448 103 D N -0.035 120.376 120.400 0.018 0.000 2.158 103 D HA -0.155 4.484 4.640 -0.000 0.000 0.197 103 D C 1.917 178.243 176.300 0.042 0.000 0.995 103 D CA 1.526 55.544 54.000 0.029 0.000 0.846 103 D CB -0.417 40.398 40.800 0.025 0.000 0.941 103 D HN 0.212 nan 8.370 nan 0.000 0.456 104 T N 0.539 115.112 114.554 0.032 0.000 2.674 104 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 104 T C 1.971 176.697 174.700 0.043 0.000 1.039 104 T CA 1.223 63.345 62.100 0.037 0.000 1.150 104 T CB -0.021 68.852 68.868 0.009 0.000 0.864 104 T HN 0.155 nan 8.240 nan 0.000 0.427 105 R N 0.794 121.317 120.500 0.039 0.000 2.073 105 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 105 R C 1.990 178.339 176.300 0.082 0.000 1.134 105 R CA 1.915 58.056 56.100 0.069 0.000 0.952 105 R CB -0.249 30.086 30.300 0.057 0.000 0.850 105 R HN 0.298 nan 8.270 nan 0.000 0.433 106 D N 0.639 121.078 120.400 0.065 0.000 2.084 106 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 106 D C 2.064 178.410 176.300 0.077 0.000 0.990 106 D CA 1.218 55.259 54.000 0.067 0.000 0.826 106 D CB -0.315 40.516 40.800 0.052 0.000 0.971 106 D HN 0.263 nan 8.370 nan 0.000 0.453 107 L N 0.401 121.677 121.223 0.089 0.000 2.042 107 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 107 L C 2.541 179.480 176.870 0.115 0.000 1.076 107 L CA 0.769 55.689 54.840 0.132 0.000 0.749 107 L CB -0.344 41.819 42.059 0.174 0.000 0.893 107 L HN 0.045 nan 8.230 nan 0.000 0.432 108 L N -0.825 120.441 121.223 0.071 0.000 2.291 108 L HA -0.140 4.200 4.340 -0.000 0.000 0.214 108 L C 1.646 178.508 176.870 -0.014 0.000 1.120 108 L CA 0.633 55.475 54.840 0.003 0.000 0.799 108 L CB -0.392 41.662 42.059 -0.009 0.000 0.925 108 L HN 0.266 nan 8.230 nan 0.000 0.446 109 D N -0.259 120.160 120.400 0.031 0.000 2.348 109 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 109 D C 0.474 176.808 176.300 0.057 0.000 0.998 109 D CA 0.623 54.647 54.000 0.041 0.000 0.873 109 D CB 0.196 41.052 40.800 0.094 0.000 0.925 109 D HN 0.276 nan 8.370 nan 0.000 0.524 110 N N 0.752 119.486 118.700 0.058 0.000 2.723 110 N HA 0.096 4.836 4.740 -0.000 0.000 0.290 110 N C -0.686 174.861 175.510 0.061 0.000 1.882 110 N CA -0.103 52.994 53.050 0.077 0.000 0.851 110 N CB 2.212 40.750 38.487 0.085 0.000 1.234 110 N HN -0.155 nan 8.380 nan 0.000 0.491 111 V N 1.537 121.428 119.914 -0.038 0.000 2.540 111 V HA -0.069 4.051 4.120 -0.000 0.000 0.297 111 V C 0.881 176.870 176.094 -0.174 0.000 1.024 111 V CA 0.306 62.503 62.300 -0.171 0.000 1.105 111 V CB 0.505 32.049 31.823 -0.465 0.000 0.938 111 V HN 0.332 nan 8.190 nan 0.000 0.482 112 Q N 4.212 124.039 119.800 0.045 0.000 2.423 112 Q HA 0.203 4.543 4.340 -0.000 0.000 0.235 112 Q C -0.030 175.998 176.000 0.046 0.000 1.100 112 Q CA -0.147 55.699 55.803 0.071 0.000 0.908 112 Q CB 0.314 29.097 28.738 0.076 0.000 1.312 112 Q HN 0.768 nan 8.270 nan 0.000 0.497 113 Y N 0.703 121.092 120.300 0.148 0.000 2.483 113 Y HA -0.092 4.458 4.550 -0.000 0.000 0.291 113 Y C 0.971 176.976 175.900 0.176 0.000 1.143 113 Y CA 0.411 58.609 58.100 0.163 0.000 1.289 113 Y CB 0.398 38.940 38.460 0.137 0.000 0.983 113 Y HN 0.471 nan 8.280 nan 0.000 0.556 114 A N 0.353 123.313 122.820 0.234 0.000 2.319 114 A HA 0.564 4.884 4.320 -0.000 0.000 0.310 114 A C -2.609 175.000 177.584 0.042 0.000 1.152 114 A CA -1.847 50.265 52.037 0.125 0.000 0.783 114 A CB 0.444 19.491 19.000 0.079 0.000 1.184 114 A HN -0.111 nan 8.150 nan 0.000 0.474 115 P HA 0.278 nan 4.420 nan 0.000 0.269 115 P C 0.760 178.014 177.300 -0.076 0.000 1.209 115 P CA 0.299 63.373 63.100 -0.043 0.000 0.776 115 P CB 1.115 32.795 31.700 -0.034 0.000 0.876 116 A N 2.292 125.046 122.820 -0.111 0.000 2.044 116 A HA 0.025 4.345 4.320 -0.000 0.000 0.213 116 A C 2.010 179.535 177.584 -0.099 0.000 1.169 116 A CA 1.170 53.146 52.037 -0.101 0.000 0.724 116 A CB -0.310 18.621 19.000 -0.115 0.000 0.840 116 A HN 0.451 nan 8.150 nan 0.000 0.463 117 R N -1.153 119.271 120.500 -0.126 0.000 2.610 117 R HA 0.282 4.622 4.340 -0.000 0.000 0.171 117 R C 1.280 177.595 176.300 0.025 0.000 0.892 117 R CA 0.962 57.028 56.100 -0.056 0.000 1.086 117 R CB -0.541 29.720 30.300 -0.066 0.000 1.320 117 R HN 0.334 nan 8.270 nan 0.000 0.582 118 G N 0.446 109.297 108.800 0.085 0.000 2.616 118 G HA2 0.160 4.120 3.960 -0.000 0.000 0.268 118 G HA3 0.160 4.120 3.960 -0.000 0.000 0.268 118 G C 0.106 175.022 174.900 0.027 0.000 1.213 118 G CA -0.104 45.110 45.100 0.189 0.000 0.926 118 G HN 0.453 nan 8.290 nan 0.000 0.523 119 R N -1.559 118.916 120.500 -0.041 0.000 2.235 119 R HA 0.140 4.479 4.340 -0.000 0.000 0.213 119 R C -0.456 175.597 176.300 -0.413 0.000 1.059 119 R CA 0.581 56.510 56.100 -0.285 0.000 0.997 119 R CB -0.083 29.959 30.300 -0.430 0.000 0.884 119 R HN 0.226 nan 8.270 nan 0.000 0.462 120 F N 0.348 120.361 119.950 0.106 0.000 2.588 120 F HA 0.442 4.969 4.527 -0.000 0.000 0.314 120 F C -0.051 175.787 175.800 0.065 0.000 1.069 120 F CA -1.469 56.603 58.000 0.119 0.000 0.931 120 F CB 1.736 40.813 39.000 0.130 0.000 1.260 120 F HN -0.328 nan 8.300 nan 0.000 0.465 121 K N 2.460 123.021 120.400 0.267 0.000 2.281 121 K HA 0.553 4.873 4.320 -0.000 0.000 0.272 121 K C -1.299 175.313 176.600 0.020 0.000 1.048 121 K CA -0.299 56.023 56.287 0.060 0.000 0.898 121 K CB 1.176 33.711 32.500 0.058 0.000 1.128 121 K HN 0.453 nan 8.250 nan 0.000 0.460 122 V N 5.644 125.513 119.914 -0.075 0.000 2.435 122 V HA 0.352 4.472 4.120 -0.000 0.000 0.290 122 V C -0.749 175.187 176.094 -0.263 0.000 1.030 122 V CA -0.868 61.378 62.300 -0.089 0.000 0.881 122 V CB 0.925 32.758 31.823 0.015 0.000 0.983 122 V HN 0.494 nan 8.190 nan 0.000 0.445 123 Y N 4.373 124.523 120.300 -0.250 0.000 2.335 123 Y HA 0.564 5.114 4.550 -0.000 0.000 0.338 123 Y C -0.072 175.821 175.900 -0.011 0.000 0.977 123 Y CA -0.804 57.193 58.100 -0.170 0.000 1.114 123 Y CB 1.751 40.016 38.460 -0.324 0.000 1.182 123 Y HN 0.391 nan 8.280 nan 0.000 0.463 124 L N 6.468 127.783 121.223 0.154 0.000 2.316 124 L HA 0.574 4.914 4.340 -0.000 0.000 0.280 124 L C -1.341 175.633 176.870 0.175 0.000 1.006 124 L CA -0.472 54.461 54.840 0.155 0.000 0.836 124 L CB 0.539 42.645 42.059 0.079 0.000 1.221 124 L HN 0.665 nan 8.230 nan 0.000 0.418 125 I N 4.608 125.305 120.570 0.211 0.000 2.354 125 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 125 I C -0.394 175.810 176.117 0.145 0.000 1.007 125 I CA -0.724 60.682 61.300 0.178 0.000 1.167 125 I CB 1.575 39.696 38.000 0.202 0.000 1.320 125 I HN 0.440 nan 8.210 nan 0.000 0.458 126 D N 6.761 127.224 120.400 0.104 0.000 2.302 126 D HA 0.084 4.724 4.640 -0.000 0.000 0.248 126 D C 0.398 176.746 176.300 0.080 0.000 1.094 126 D CA -0.036 54.018 54.000 0.090 0.000 0.897 126 D CB 0.753 41.589 40.800 0.060 0.000 1.200 126 D HN 0.387 nan 8.370 nan 0.000 0.429 127 E N 0.417 120.684 120.200 0.112 0.000 2.183 127 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 127 E C 0.982 177.603 176.600 0.035 0.000 1.364 127 E CA 0.130 56.596 56.400 0.110 0.000 0.700 127 E CB -1.439 28.264 29.700 0.004 0.000 1.106 127 E HN 0.368 nan 8.360 nan 0.000 0.347 128 V N 1.424 121.429 119.914 0.152 0.000 2.688 128 V HA -0.282 3.838 4.120 -0.000 0.000 0.256 128 V C 2.365 178.585 176.094 0.210 0.000 1.084 128 V CA 2.475 64.866 62.300 0.151 0.000 1.103 128 V CB -0.500 31.443 31.823 0.200 0.000 0.688 128 V HN 0.675 nan 8.190 nan 0.000 0.480 129 H N -1.411 117.779 119.070 0.201 0.000 2.546 129 H HA -0.003 4.552 4.556 -0.000 0.000 0.277 129 H C 1.657 177.112 175.328 0.211 0.000 1.004 129 H CA 1.111 57.341 56.048 0.303 0.000 1.231 129 H CB -0.418 29.457 29.762 0.189 0.000 1.382 129 H HN 0.480 nan 8.280 nan 0.000 0.580 130 M N 1.105 120.449 119.600 -0.427 0.000 2.494 130 M HA 0.211 4.691 4.480 -0.000 0.000 0.232 130 M C 0.186 176.307 176.300 -0.299 0.000 1.137 130 M CA -0.088 55.002 55.300 -0.351 0.000 1.012 130 M CB 0.421 32.793 32.600 -0.380 0.000 1.567 130 M HN 0.055 nan 8.290 nan 0.000 0.486 131 L N 0.572 121.523 121.223 -0.453 0.000 2.452 131 L HA 0.112 4.452 4.340 -0.000 0.000 0.267 131 L C 1.088 177.527 176.870 -0.718 0.000 1.188 131 L CA -0.437 54.040 54.840 -0.606 0.000 0.821 131 L CB 0.674 42.261 42.059 -0.786 0.000 1.102 131 L HN 0.256 nan 8.230 nan 0.000 0.470 132 S N 1.840 117.289 115.700 -0.419 0.000 2.600 132 S HA 0.099 4.569 4.470 -0.000 0.000 0.265 132 S C 1.022 175.462 174.600 -0.267 0.000 1.325 132 S CA -0.415 57.640 58.200 -0.242 0.000 1.002 132 S CB 0.983 64.136 63.200 -0.079 0.000 0.921 132 S HN 0.705 nan 8.310 nan 0.000 0.554 133 R N -0.186 120.305 120.500 -0.016 0.000 2.120 133 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 133 R C 2.217 178.596 176.300 0.131 0.000 1.123 133 R CA 1.788 57.984 56.100 0.160 0.000 0.975 133 R CB -0.742 29.654 30.300 0.159 0.000 0.866 133 R HN 0.962 nan 8.270 nan 0.000 0.446 134 H N -0.182 118.886 119.070 -0.003 0.000 2.290 134 H HA -0.041 4.515 4.556 -0.000 0.000 0.298 134 H C 1.926 177.249 175.328 -0.008 0.000 1.087 134 H CA 2.592 58.639 56.048 -0.001 0.000 1.291 134 H CB -0.218 29.532 29.762 -0.019 0.000 1.369 134 H HN 0.080 nan 8.280 nan 0.000 0.492 135 S N -0.281 115.374 115.700 -0.075 0.000 2.383 135 S HA -0.097 4.373 4.470 -0.000 0.000 0.227 135 S C 1.871 176.423 174.600 -0.079 0.000 1.026 135 S CA 0.907 59.024 58.200 -0.139 0.000 0.981 135 S CB -0.389 62.736 63.200 -0.124 0.000 0.818 135 S HN 0.290 nan 8.310 nan 0.000 0.472 136 F N 2.846 122.753 119.950 -0.072 0.000 2.065 136 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 136 F C 2.330 178.064 175.800 -0.110 0.000 1.112 136 F CA 0.747 58.701 58.000 -0.076 0.000 1.212 136 F CB -0.987 37.988 39.000 -0.041 0.000 0.975 136 F HN 0.218 nan 8.300 nan 0.000 0.476 137 N N 0.022 118.779 118.700 0.095 0.000 2.223 137 N HA -0.122 4.617 4.740 -0.000 0.000 0.185 137 N C 1.994 177.453 175.510 -0.085 0.000 1.016 137 N CA 1.200 54.241 53.050 -0.014 0.000 0.863 137 N CB -0.458 38.012 38.487 -0.029 0.000 0.983 137 N HN 0.266 nan 8.380 nan 0.000 0.429 138 A N 1.324 124.053 122.820 -0.152 0.000 1.877 138 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 138 A C 2.257 179.754 177.584 -0.144 0.000 1.186 138 A CA 0.969 52.906 52.037 -0.166 0.000 0.620 138 A CB -0.753 18.120 19.000 -0.211 0.000 0.822 138 A HN 0.223 nan 8.150 nan 0.000 0.443 139 L N -0.309 120.825 121.223 -0.147 0.000 1.994 139 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 139 L C 2.280 179.017 176.870 -0.221 0.000 1.071 139 L CA 1.804 56.496 54.840 -0.247 0.000 0.745 139 L CB -0.560 41.392 42.059 -0.177 0.000 0.892 139 L HN 0.457 nan 8.230 nan 0.000 0.431 140 L N -0.277 120.877 121.223 -0.115 0.000 1.978 140 L HA -0.351 3.989 4.340 -0.000 0.000 0.218 140 L C 2.690 179.508 176.870 -0.087 0.000 1.075 140 L CA 2.411 57.195 54.840 -0.093 0.000 0.767 140 L CB -0.507 41.515 42.059 -0.062 0.000 0.890 140 L HN 0.442 nan 8.230 nan 0.000 0.434 141 K N -1.113 119.242 120.400 -0.075 0.000 2.089 141 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 141 K C 1.800 178.375 176.600 -0.041 0.000 1.048 141 K CA 2.378 58.635 56.287 -0.050 0.000 0.926 141 K CB -0.076 32.398 32.500 -0.043 0.000 0.714 141 K HN 0.406 nan 8.250 nan 0.000 0.448 142 T N 1.208 115.715 114.554 -0.078 0.000 2.857 142 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 142 T C 1.630 176.307 174.700 -0.037 0.000 1.048 142 T CA 0.885 62.957 62.100 -0.047 0.000 1.139 142 T CB 0.016 68.800 68.868 -0.139 0.000 0.874 142 T HN 0.166 nan 8.240 nan 0.000 0.455 143 L N 0.620 121.785 121.223 -0.096 0.000 2.291 143 L HA 0.029 4.369 4.340 -0.000 0.000 0.214 143 L C 2.460 179.326 176.870 -0.007 0.000 1.120 143 L CA 1.096 55.946 54.840 0.017 0.000 0.799 143 L CB -0.450 41.605 42.059 -0.007 0.000 0.925 143 L HN 0.346 nan 8.230 nan 0.000 0.446 144 E N -0.232 119.946 120.200 -0.037 0.000 2.170 144 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 144 E C 0.922 177.486 176.600 -0.060 0.000 0.981 144 E CA 0.416 56.788 56.400 -0.046 0.000 0.830 144 E CB 0.337 30.016 29.700 -0.036 0.000 0.775 144 E HN 0.253 nan 8.360 nan 0.000 0.470 145 E N 1.291 121.468 120.200 -0.037 0.000 3.406 145 E HA 0.156 4.506 4.350 -0.000 0.000 0.210 145 E C -2.585 174.020 176.600 0.009 0.000 1.167 145 E CA -2.179 54.209 56.400 -0.021 0.000 1.132 145 E CB 0.819 30.523 29.700 0.007 0.000 1.309 145 E HN -0.072 nan 8.360 nan 0.000 0.424 146 P HA -0.052 nan 4.420 nan 0.000 0.242 146 P C -2.492 174.854 177.300 0.078 0.000 1.116 146 P CA -0.341 62.738 63.100 -0.036 0.000 0.954 146 P CB -0.359 31.166 31.700 -0.293 0.000 0.908 147 P HA 0.031 nan 4.420 nan 0.000 0.264 147 P C 0.126 177.530 177.300 0.173 0.000 1.193 147 P CA 0.274 63.547 63.100 0.288 0.000 0.763 147 P CB 0.473 32.449 31.700 0.460 0.000 0.810 148 E N 2.672 122.897 120.200 0.041 0.000 2.349 148 E HA 0.101 4.451 4.350 -0.000 0.000 0.262 148 E C 0.509 177.051 176.600 -0.096 0.000 1.088 148 E CA -0.015 56.313 56.400 -0.121 0.000 0.899 148 E CB 0.089 29.557 29.700 -0.386 0.000 1.044 148 E HN 0.496 nan 8.360 nan 0.000 0.420 149 H N -0.591 118.682 119.070 0.339 0.000 3.863 149 H HA -0.133 4.423 4.556 -0.000 0.000 0.160 149 H C -0.585 174.976 175.328 0.389 0.000 0.870 149 H CA 0.932 57.201 56.048 0.368 0.000 1.247 149 H CB -1.955 27.917 29.762 0.184 0.000 0.921 149 H HN 0.156 nan 8.280 nan 0.000 0.421 150 V N 2.380 122.511 119.914 0.362 0.000 2.444 150 V HA 0.484 4.604 4.120 -0.000 0.000 0.294 150 V C 0.258 176.423 176.094 0.118 0.000 1.022 150 V CA -0.843 61.579 62.300 0.204 0.000 0.850 150 V CB 2.586 34.486 31.823 0.127 0.000 0.992 150 V HN 0.009 nan 8.190 nan 0.000 0.426 151 K N 3.885 124.285 120.400 0.001 0.000 2.316 151 K HA 0.646 4.966 4.320 -0.000 0.000 0.251 151 K C -1.336 175.191 176.600 -0.121 0.000 0.934 151 K CA -0.461 55.834 56.287 0.013 0.000 0.802 151 K CB 2.446 34.928 32.500 -0.030 0.000 1.171 151 K HN 0.437 nan 8.250 nan 0.000 0.426 152 F N 2.261 122.328 119.950 0.194 0.000 2.426 152 F HA 0.412 4.939 4.527 -0.000 0.000 0.348 152 F C 0.093 176.020 175.800 0.211 0.000 1.124 152 F CA -0.743 57.368 58.000 0.184 0.000 1.008 152 F CB 1.096 40.156 39.000 0.100 0.000 1.139 152 F HN 0.082 nan 8.300 nan 0.000 0.452 153 L N 5.960 127.395 121.223 0.353 0.000 2.318 153 L HA 0.507 4.847 4.340 -0.000 0.000 0.277 153 L C -0.781 176.290 176.870 0.336 0.000 1.008 153 L CA -0.451 54.603 54.840 0.357 0.000 0.846 153 L CB 0.890 43.117 42.059 0.281 0.000 1.220 153 L HN 0.478 nan 8.230 nan 0.000 0.423 154 L N 2.805 124.212 121.223 0.306 0.000 2.334 154 L HA 0.899 5.239 4.340 -0.000 0.000 0.275 154 L C 0.182 177.223 176.870 0.285 0.000 1.036 154 L CA -0.524 54.466 54.840 0.251 0.000 0.807 154 L CB 1.770 43.931 42.059 0.170 0.000 1.231 154 L HN 0.648 nan 8.230 nan 0.000 0.438 155 A N 1.193 124.158 122.820 0.241 0.000 2.435 155 A HA 0.857 5.177 4.320 -0.000 0.000 0.304 155 A C -0.626 177.080 177.584 0.203 0.000 1.064 155 A CA -0.510 51.670 52.037 0.238 0.000 0.727 155 A CB 2.209 21.324 19.000 0.193 0.000 1.284 155 A HN 0.616 nan 8.150 nan 0.000 0.415 156 T N -0.537 114.130 114.554 0.188 0.000 3.003 156 T HA 0.428 4.777 4.350 -0.000 0.000 0.354 156 T C 0.519 175.288 174.700 0.115 0.000 1.651 156 T CA 0.430 62.650 62.100 0.200 0.000 1.103 156 T CB 0.879 69.886 68.868 0.231 0.000 1.450 156 T HN 1.421 nan 8.240 nan 0.000 0.484 157 T N -0.370 114.233 114.554 0.082 0.000 3.081 157 T HA 0.282 4.632 4.350 -0.000 0.000 0.250 157 T C 0.328 174.978 174.700 -0.084 0.000 1.100 157 T CA 0.276 62.390 62.100 0.024 0.000 1.038 157 T CB 0.087 68.987 68.868 0.052 0.000 0.962 157 T HN 0.457 nan 8.240 nan 0.000 0.516 158 D N 1.795 122.045 120.400 -0.250 0.000 2.621 158 D HA 0.252 4.892 4.640 -0.000 0.000 0.274 158 D C -1.911 174.261 176.300 -0.214 0.000 1.215 158 D CA -2.014 51.803 54.000 -0.305 0.000 0.810 158 D CB 1.679 42.152 40.800 -0.546 0.000 1.248 158 D HN 0.015 nan 8.370 nan 0.000 0.517 159 P HA -0.198 nan 4.420 nan 0.000 0.217 159 P C 1.271 178.551 177.300 -0.033 0.000 1.148 159 P CA 0.992 64.077 63.100 -0.024 0.000 0.828 159 P CB 0.540 32.245 31.700 0.008 0.000 0.783 160 Q N -0.102 119.674 119.800 -0.040 0.000 2.170 160 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 160 Q C 1.887 177.867 176.000 -0.033 0.000 0.976 160 Q CA 0.981 56.763 55.803 -0.035 0.000 0.858 160 Q CB -0.308 28.412 28.738 -0.030 0.000 0.907 160 Q HN 0.344 nan 8.270 nan 0.000 0.433 161 K N 0.427 120.810 120.400 -0.028 0.000 2.515 161 K HA 0.039 4.359 4.320 -0.000 0.000 0.196 161 K C 0.693 177.323 176.600 0.050 0.000 1.038 161 K CA 0.346 56.657 56.287 0.039 0.000 0.967 161 K CB -0.054 32.507 32.500 0.102 0.000 0.780 161 K HN 0.232 nan 8.250 nan 0.000 0.483 162 L N 2.315 123.527 121.223 -0.018 0.000 2.312 162 L HA 0.207 4.547 4.340 -0.000 0.000 0.281 162 L C -2.177 174.536 176.870 -0.263 0.000 1.070 162 L CA -2.157 52.594 54.840 -0.148 0.000 0.805 162 L CB 1.005 43.023 42.059 -0.069 0.000 1.174 162 L HN -0.218 nan 8.230 nan 0.000 0.434 163 P HA -0.091 nan 4.420 nan 0.000 0.261 163 P C 0.866 178.027 177.300 -0.232 0.000 1.183 163 P CA -0.046 62.833 63.100 -0.369 0.000 0.761 163 P CB 0.604 31.989 31.700 -0.524 0.000 0.785 164 V N 1.853 121.675 119.914 -0.153 0.000 2.828 164 V HA -0.227 3.893 4.120 -0.000 0.000 0.260 164 V C 1.652 177.684 176.094 -0.103 0.000 1.101 164 V CA 2.313 64.547 62.300 -0.110 0.000 1.123 164 V CB -2.063 29.712 31.823 -0.080 0.000 0.704 164 V HN 0.601 nan 8.190 nan 0.000 0.493 165 T N -1.531 112.954 114.554 -0.115 0.000 2.904 165 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 165 T C 1.804 176.446 174.700 -0.096 0.000 1.059 165 T CA 1.740 63.785 62.100 -0.093 0.000 1.137 165 T CB -0.439 68.376 68.868 -0.089 0.000 0.879 165 T HN 0.521 nan 8.240 nan 0.000 0.467 166 I N 0.251 120.743 120.570 -0.130 0.000 2.429 166 I HA 0.139 4.309 4.170 -0.000 0.000 0.247 166 I C 2.450 178.502 176.117 -0.108 0.000 1.099 166 I CA 0.428 61.656 61.300 -0.119 0.000 1.422 166 I CB -0.275 37.638 38.000 -0.146 0.000 1.112 166 I HN 0.141 nan 8.210 nan 0.000 0.430 167 L N 0.443 121.596 121.223 -0.116 0.000 2.043 167 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 167 L C 2.689 179.495 176.870 -0.108 0.000 1.075 167 L CA 1.920 56.696 54.840 -0.106 0.000 0.752 167 L CB -0.262 41.740 42.059 -0.094 0.000 0.891 167 L HN 0.265 nan 8.230 nan 0.000 0.432 168 S N -0.779 114.867 115.700 -0.090 0.000 2.442 168 S HA -0.173 4.296 4.470 -0.000 0.000 0.236 168 S C 1.874 176.433 174.600 -0.068 0.000 1.007 168 S CA 1.003 59.158 58.200 -0.076 0.000 0.965 168 S CB -0.246 62.919 63.200 -0.059 0.000 0.773 168 S HN 0.445 nan 8.310 nan 0.000 0.504 169 R N -0.367 120.093 120.500 -0.066 0.000 2.359 169 R HA 0.367 4.707 4.340 -0.000 0.000 0.231 169 R C -0.201 176.006 176.300 -0.156 0.000 0.913 169 R CA 0.032 56.115 56.100 -0.028 0.000 1.075 169 R CB -0.104 30.227 30.300 0.052 0.000 1.087 169 R HN 0.363 nan 8.270 nan 0.000 0.515 170 C N -0.568 118.611 119.300 -0.201 0.000 2.486 170 C HA 0.483 4.943 4.460 -0.000 0.000 0.348 170 C C -0.551 174.224 174.990 -0.358 0.000 1.203 170 C CA -1.293 57.544 59.018 -0.302 0.000 1.911 170 C CB 1.214 28.809 27.740 -0.241 0.000 2.340 170 C HN 0.185 nan 8.230 nan 0.000 0.511 171 L N 2.194 123.119 121.223 -0.496 0.000 2.255 171 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 171 L C -0.214 176.231 176.870 -0.708 0.000 1.046 171 L CA 0.571 55.027 54.840 -0.640 0.000 0.816 171 L CB 0.415 41.989 42.059 -0.809 0.000 1.197 171 L HN 0.695 nan 8.230 nan 0.000 0.427 172 Q N 4.520 123.885 119.800 -0.724 0.000 2.256 172 Q HA 0.512 4.852 4.340 -0.000 0.000 0.254 172 Q C -1.450 173.964 176.000 -0.976 0.000 0.916 172 Q CA 0.063 55.444 55.803 -0.703 0.000 0.932 172 Q CB 1.479 29.924 28.738 -0.488 0.000 1.207 172 Q HN 0.437 nan 8.270 nan 0.000 0.426 173 F N 1.106 120.772 119.950 -0.474 0.000 2.518 173 F HA 0.314 4.841 4.527 -0.000 0.000 0.323 173 F C -0.448 175.186 175.800 -0.277 0.000 1.129 173 F CA -0.881 56.947 58.000 -0.287 0.000 0.920 173 F CB 1.343 40.257 39.000 -0.143 0.000 1.160 173 F HN 0.516 nan 8.300 nan 0.000 0.440 174 H N 3.516 122.742 119.070 0.261 0.000 2.552 174 H HA 0.511 5.067 4.556 -0.000 0.000 0.311 174 H C -0.763 174.745 175.328 0.301 0.000 1.071 174 H CA -0.575 55.609 56.048 0.227 0.000 1.307 174 H CB 0.953 30.811 29.762 0.159 0.000 1.416 174 H HN 0.399 nan 8.280 nan 0.000 0.464 175 L N 3.178 124.583 121.223 0.303 0.000 2.325 175 L HA 0.298 4.638 4.340 -0.000 0.000 0.279 175 L C 0.058 177.056 176.870 0.214 0.000 1.054 175 L CA -0.258 54.726 54.840 0.241 0.000 0.804 175 L CB 0.999 43.148 42.059 0.151 0.000 1.200 175 L HN 0.535 nan 8.230 nan 0.000 0.436 176 K N 2.482 123.016 120.400 0.223 0.000 2.201 176 K HA 0.613 4.933 4.320 -0.000 0.000 0.278 176 K C -0.304 176.350 176.600 0.090 0.000 1.027 176 K CA -0.640 55.736 56.287 0.148 0.000 0.909 176 K CB 1.295 33.886 32.500 0.151 0.000 1.062 176 K HN 0.710 nan 8.250 nan 0.000 0.465 177 A N 3.821 126.680 122.820 0.066 0.000 2.483 177 A HA 0.146 4.466 4.320 -0.000 0.000 0.238 177 A C 0.004 177.610 177.584 0.037 0.000 1.070 177 A CA -0.215 51.848 52.037 0.044 0.000 0.770 177 A CB -0.004 19.017 19.000 0.035 0.000 1.008 177 A HN 0.684 nan 8.150 nan 0.000 0.497 178 L N 1.931 123.170 121.223 0.027 0.000 2.395 178 L HA 0.225 4.565 4.340 -0.000 0.000 0.269 178 L C 0.186 177.065 176.870 0.014 0.000 1.133 178 L CA -0.791 54.062 54.840 0.021 0.000 0.812 178 L CB 0.451 42.520 42.059 0.016 0.000 1.125 178 L HN 0.624 nan 8.230 nan 0.000 0.452 179 D N 0.751 121.157 120.400 0.011 0.000 2.378 179 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 179 D C 1.101 177.405 176.300 0.005 0.000 1.180 179 D CA -0.174 53.829 54.000 0.005 0.000 0.895 179 D CB 1.414 42.215 40.800 0.001 0.000 1.192 179 D HN 0.178 nan 8.370 nan 0.000 0.438 180 V N 1.084 121.000 119.914 0.004 0.000 2.343 180 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 180 V C 2.240 178.340 176.094 0.010 0.000 1.051 180 V CA 1.854 64.157 62.300 0.005 0.000 1.036 180 V CB -0.372 31.453 31.823 0.003 0.000 0.654 180 V HN 0.524 nan 8.190 nan 0.000 0.451 181 E N 0.288 120.495 120.200 0.012 0.000 2.106 181 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 181 E C 2.201 178.820 176.600 0.031 0.000 0.984 181 E CA 1.494 57.907 56.400 0.023 0.000 0.806 181 E CB -0.300 29.408 29.700 0.014 0.000 0.750 181 E HN 0.653 nan 8.360 nan 0.000 0.458 182 Q N -0.272 119.535 119.800 0.011 0.000 2.084 182 Q HA -0.115 4.224 4.340 -0.000 0.000 0.202 182 Q C 2.328 178.348 176.000 0.033 0.000 0.978 182 Q CA 1.683 57.492 55.803 0.010 0.000 0.844 182 Q CB -0.130 28.608 28.738 0.000 0.000 0.898 182 Q HN 0.402 nan 8.270 nan 0.000 0.426 183 I N 0.016 120.597 120.570 0.019 0.000 2.233 183 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 183 I C 2.644 178.759 176.117 -0.004 0.000 1.093 183 I CA 0.773 62.076 61.300 0.005 0.000 1.380 183 I CB -0.326 37.671 38.000 -0.005 0.000 1.067 183 I HN 0.167 nan 8.210 nan 0.000 0.413 184 R N 0.373 120.877 120.500 0.006 0.000 2.096 184 R HA -0.266 4.074 4.340 -0.000 0.000 0.240 184 R C 2.567 178.859 176.300 -0.015 0.000 1.139 184 R CA 1.879 57.972 56.100 -0.011 0.000 0.952 184 R CB -0.584 29.720 30.300 0.008 0.000 0.854 184 R HN 0.461 nan 8.270 nan 0.000 0.436 185 H N 0.019 119.055 119.070 -0.057 0.000 2.389 185 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 185 H C 1.915 177.207 175.328 -0.060 0.000 1.081 185 H CA 2.034 58.049 56.048 -0.056 0.000 1.345 185 H CB 0.233 29.968 29.762 -0.044 0.000 1.393 185 H HN 0.253 nan 8.280 nan 0.000 0.520 186 Q N 0.802 120.634 119.800 0.053 0.000 2.079 186 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 186 Q C 2.709 178.616 176.000 -0.155 0.000 0.974 186 Q CA 1.287 57.088 55.803 -0.004 0.000 0.840 186 Q CB -0.342 28.401 28.738 0.008 0.000 0.898 186 Q HN 0.513 nan 8.270 nan 0.000 0.430 187 L N 0.200 121.315 121.223 -0.179 0.000 2.017 187 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 187 L C 2.564 179.227 176.870 -0.345 0.000 1.073 187 L CA 1.848 56.532 54.840 -0.260 0.000 0.745 187 L CB -0.632 41.310 42.059 -0.194 0.000 0.894 187 L HN 0.424 nan 8.230 nan 0.000 0.432 188 E N -0.391 119.602 120.200 -0.345 0.000 2.058 188 E HA -0.314 4.036 4.350 -0.000 0.000 0.194 188 E C 2.224 178.595 176.600 -0.381 0.000 0.997 188 E CA 1.470 57.590 56.400 -0.468 0.000 0.801 188 E CB -0.160 29.315 29.700 -0.375 0.000 0.746 188 E HN 0.531 nan 8.360 nan 0.000 0.450 189 H N 0.366 119.183 119.070 -0.422 0.000 2.352 189 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 189 H C 2.221 177.354 175.328 -0.324 0.000 1.097 189 H CA 1.722 57.567 56.048 -0.339 0.000 1.311 189 H CB -0.042 29.539 29.762 -0.302 0.000 1.377 189 H HN 0.235 nan 8.280 nan 0.000 0.504 190 I N 0.722 120.915 120.570 -0.627 0.000 2.202 190 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 190 I C 2.637 178.440 176.117 -0.525 0.000 1.091 190 I CA 0.748 61.533 61.300 -0.859 0.000 1.368 190 I CB -0.158 37.141 38.000 -1.169 0.000 1.058 190 I HN 0.237 nan 8.210 nan 0.000 0.410 191 L N 0.372 121.360 121.223 -0.392 0.000 2.131 191 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 191 L C 2.217 179.025 176.870 -0.103 0.000 1.092 191 L CA 1.069 55.792 54.840 -0.194 0.000 0.759 191 L CB -0.781 41.186 42.059 -0.153 0.000 0.903 191 L HN 0.321 nan 8.230 nan 0.000 0.435 192 N N -0.191 118.423 118.700 -0.145 0.000 2.142 192 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 192 N C 1.806 177.137 175.510 -0.299 0.000 1.023 192 N CA 1.022 54.017 53.050 -0.091 0.000 0.852 192 N CB -0.094 38.357 38.487 -0.060 0.000 0.998 192 N HN 0.286 nan 8.380 nan 0.000 0.424 193 E N 0.892 120.880 120.200 -0.352 0.000 2.152 193 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 193 E C 1.272 177.639 176.600 -0.389 0.000 0.983 193 E CA 0.632 56.813 56.400 -0.365 0.000 0.818 193 E CB -0.015 29.540 29.700 -0.242 0.000 0.758 193 E HN 0.397 nan 8.360 nan 0.000 0.467 194 E N 0.061 120.124 120.200 -0.228 0.000 2.435 194 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 194 E C -0.205 176.376 176.600 -0.032 0.000 1.029 194 E CA 0.154 56.513 56.400 -0.068 0.000 0.865 194 E CB -0.106 29.606 29.700 0.020 0.000 0.833 194 E HN 0.317 nan 8.360 nan 0.000 0.510 195 H N -0.789 118.296 119.070 0.024 0.000 2.819 195 H HA -0.161 4.395 4.556 -0.000 0.000 0.315 195 H C -0.197 175.141 175.328 0.015 0.000 1.242 195 H CA 0.615 56.673 56.048 0.017 0.000 1.157 195 H CB -2.288 27.481 29.762 0.012 0.000 1.451 195 H HN 0.185 nan 8.280 nan 0.000 0.430 196 I N 0.234 120.855 120.570 0.085 0.000 2.404 196 I HA 0.479 4.649 4.170 -0.000 0.000 0.293 196 I C 0.959 177.111 176.117 0.059 0.000 0.992 196 I CA -0.619 60.723 61.300 0.070 0.000 1.149 196 I CB 1.758 39.794 38.000 0.059 0.000 1.315 196 I HN 0.327 nan 8.210 nan 0.000 0.446 197 A N 6.877 129.694 122.820 -0.006 0.000 2.425 197 A HA 0.428 4.748 4.320 -0.000 0.000 0.249 197 A C -0.344 177.200 177.584 -0.068 0.000 1.084 197 A CA 0.085 52.052 52.037 -0.116 0.000 0.781 197 A CB -0.004 18.946 19.000 -0.083 0.000 1.019 197 A HN 0.888 nan 8.150 nan 0.000 0.490 198 H N 0.177 119.234 119.070 -0.021 0.000 3.012 198 H HA 0.606 5.162 4.556 -0.000 0.000 0.367 198 H C -1.506 173.809 175.328 -0.021 0.000 1.211 198 H CA -0.882 55.150 56.048 -0.027 0.000 1.139 198 H CB 1.141 30.877 29.762 -0.044 0.000 1.838 198 H HN 0.640 nan 8.280 nan 0.000 0.550 199 E N 1.703 121.978 120.200 0.125 0.000 2.212 199 E HA 0.214 4.564 4.350 -0.000 0.000 0.268 199 E C -2.096 174.564 176.600 0.100 0.000 0.902 199 E CA -2.135 54.312 56.400 0.077 0.000 0.779 199 E CB 2.574 32.293 29.700 0.031 0.000 1.172 199 E HN 0.304 nan 8.360 nan 0.000 0.409 200 P HA -0.260 nan 4.420 nan 0.000 0.216 200 P C 1.313 178.634 177.300 0.036 0.000 1.167 200 P CA 1.196 64.332 63.100 0.060 0.000 0.914 200 P CB 0.253 31.982 31.700 0.048 0.000 0.793 201 R N -0.452 120.067 120.500 0.031 0.000 2.083 201 R HA -0.079 4.260 4.340 -0.000 0.000 0.237 201 R C 2.195 178.506 176.300 0.017 0.000 1.137 201 R CA 2.036 58.150 56.100 0.023 0.000 0.951 201 R CB -1.641 28.672 30.300 0.020 0.000 0.851 201 R HN 0.126 nan 8.270 nan 0.000 0.434 202 A N 1.080 123.913 122.820 0.021 0.000 1.892 202 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 202 A C 2.439 180.024 177.584 0.002 0.000 1.188 202 A CA 1.654 53.700 52.037 0.014 0.000 0.631 202 A CB -0.732 18.283 19.000 0.025 0.000 0.822 202 A HN 0.313 nan 8.150 nan 0.000 0.447 203 L N -0.952 120.268 121.223 -0.005 0.000 2.083 203 L HA -0.261 4.079 4.340 -0.000 0.000 0.209 203 L C 2.890 179.746 176.870 -0.023 0.000 1.083 203 L CA 1.610 56.428 54.840 -0.036 0.000 0.752 203 L CB -0.804 41.209 42.059 -0.076 0.000 0.899 203 L HN 0.529 nan 8.230 nan 0.000 0.433 204 Q N 0.115 119.911 119.800 -0.006 0.000 2.084 204 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 204 Q C 2.387 178.388 176.000 0.001 0.000 0.978 204 Q CA 1.281 57.085 55.803 0.003 0.000 0.844 204 Q CB -0.202 28.545 28.738 0.015 0.000 0.898 204 Q HN 0.518 nan 8.270 nan 0.000 0.426 205 L N 0.299 121.522 121.223 0.001 0.000 2.083 205 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 205 L C 2.300 179.167 176.870 -0.005 0.000 1.083 205 L CA 0.889 55.729 54.840 0.001 0.000 0.752 205 L CB -0.336 41.723 42.059 0.001 0.000 0.899 205 L HN 0.244 nan 8.230 nan 0.000 0.433 206 L N -0.655 120.561 121.223 -0.011 0.000 2.072 206 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 206 L C 2.875 179.735 176.870 -0.016 0.000 1.079 206 L CA 1.002 55.832 54.840 -0.016 0.000 0.752 206 L CB -0.667 41.376 42.059 -0.027 0.000 0.906 206 L HN 0.216 nan 8.230 nan 0.000 0.436 207 A N 0.054 122.863 122.820 -0.018 0.000 1.902 207 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 207 A C 2.444 180.025 177.584 -0.005 0.000 1.181 207 A CA 1.769 53.797 52.037 -0.014 0.000 0.623 207 A CB -0.563 18.430 19.000 -0.012 0.000 0.818 207 A HN 0.333 nan 8.150 nan 0.000 0.443 208 R N -0.452 120.046 120.500 -0.002 0.000 2.075 208 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 208 R C 2.246 178.547 176.300 0.002 0.000 1.126 208 R CA 1.327 57.428 56.100 0.002 0.000 0.963 208 R CB -0.382 29.921 30.300 0.005 0.000 0.858 208 R HN 0.425 nan 8.270 nan 0.000 0.435 209 A N 0.588 123.408 122.820 -0.000 0.000 2.070 209 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 209 A C 2.212 179.797 177.584 0.001 0.000 1.159 209 A CA 1.396 53.434 52.037 0.001 0.000 0.656 209 A CB -0.478 18.521 19.000 -0.001 0.000 0.800 209 A HN 0.527 nan 8.150 nan 0.000 0.453 210 A N -0.877 121.942 122.820 -0.001 0.000 2.067 210 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 210 A C 0.885 178.472 177.584 0.005 0.000 1.158 210 A CA 1.110 53.148 52.037 0.001 0.000 0.661 210 A CB -0.421 18.576 19.000 -0.004 0.000 0.801 210 A HN 0.601 nan 8.150 nan 0.000 0.452 211 E N -2.509 117.695 120.200 0.006 0.000 2.222 211 E HA -0.204 4.146 4.350 -0.000 0.000 0.189 211 E C 0.924 177.531 176.600 0.012 0.000 1.415 211 E CA 0.539 56.945 56.400 0.009 0.000 0.689 211 E CB -1.650 28.057 29.700 0.011 0.000 1.107 211 E HN 1.414 nan 8.360 nan 0.000 0.350 212 G N -0.127 108.680 108.800 0.011 0.000 2.267 212 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.257 212 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.257 212 G C 0.282 175.191 174.900 0.015 0.000 0.998 212 G CA 0.363 45.472 45.100 0.015 0.000 0.620 212 G HN 0.806 nan 8.290 nan 0.000 0.529 213 S N 0.426 116.133 115.700 0.012 0.000 2.429 213 S HA 0.598 5.068 4.470 -0.000 0.000 0.302 213 S C 1.299 175.903 174.600 0.007 0.000 1.115 213 S CA -0.408 57.799 58.200 0.011 0.000 1.095 213 S CB 1.042 64.250 63.200 0.013 0.000 0.987 213 S HN 0.491 nan 8.310 nan 0.000 0.474 214 L N 5.722 126.949 121.223 0.007 0.000 2.156 214 L HA 0.164 4.504 4.340 -0.000 0.000 0.208 214 L C 2.361 179.236 176.870 0.009 0.000 1.095 214 L CA 1.593 56.435 54.840 0.004 0.000 0.770 214 L CB -1.123 40.941 42.059 0.009 0.000 0.914 214 L HN 0.836 nan 8.230 nan 0.000 0.439 215 R N -0.454 120.055 120.500 0.015 0.000 2.066 215 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 215 R C 1.811 178.122 176.300 0.017 0.000 1.131 215 R CA 1.738 57.851 56.100 0.022 0.000 0.955 215 R CB -0.096 30.215 30.300 0.018 0.000 0.851 215 R HN 0.277 nan 8.270 nan 0.000 0.432 216 D N 0.269 120.676 120.400 0.011 0.000 2.178 216 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 216 D C 1.687 177.988 176.300 0.002 0.000 0.980 216 D CA 1.404 55.410 54.000 0.009 0.000 0.842 216 D CB -0.223 40.582 40.800 0.008 0.000 0.948 216 D HN 0.421 nan 8.370 nan 0.000 0.472 217 A N 0.590 123.407 122.820 -0.004 0.000 1.902 217 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 217 A C 2.341 179.909 177.584 -0.027 0.000 1.181 217 A CA 0.880 52.906 52.037 -0.018 0.000 0.623 217 A CB -0.686 18.299 19.000 -0.025 0.000 0.818 217 A HN 0.208 nan 8.150 nan 0.000 0.443 218 L N -0.974 120.238 121.223 -0.018 0.000 2.109 218 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 218 L C 2.871 179.746 176.870 0.007 0.000 1.086 218 L CA 1.333 56.162 54.840 -0.017 0.000 0.760 218 L CB -0.404 41.667 42.059 0.021 0.000 0.910 218 L HN 0.495 nan 8.230 nan 0.000 0.437 219 S N 0.197 115.906 115.700 0.015 0.000 2.383 219 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 219 S C 1.978 176.583 174.600 0.008 0.000 1.026 219 S CA 1.030 59.241 58.200 0.018 0.000 0.981 219 S CB -0.103 63.107 63.200 0.017 0.000 0.818 219 S HN 0.291 nan 8.310 nan 0.000 0.472 220 L N 0.675 121.898 121.223 0.000 0.000 2.156 220 L HA -0.039 4.300 4.340 -0.000 0.000 0.208 220 L C 2.674 179.539 176.870 -0.008 0.000 1.095 220 L CA 1.319 56.157 54.840 -0.004 0.000 0.770 220 L CB -0.726 41.330 42.059 -0.006 0.000 0.914 220 L HN 0.308 nan 8.230 nan 0.000 0.439 221 T N -1.385 113.159 114.554 -0.017 0.000 2.857 221 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 221 T C 1.484 176.178 174.700 -0.010 0.000 1.048 221 T CA 1.121 63.206 62.100 -0.026 0.000 1.139 221 T CB -0.150 68.683 68.868 -0.058 0.000 0.874 221 T HN 0.263 nan 8.240 nan 0.000 0.455 222 D N 0.860 121.262 120.400 0.003 0.000 2.144 222 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 222 D C 2.177 178.485 176.300 0.013 0.000 0.978 222 D CA 0.881 54.891 54.000 0.017 0.000 0.833 222 D CB -0.155 40.664 40.800 0.032 0.000 0.961 222 D HN 0.457 nan 8.370 nan 0.000 0.470 223 Q N 0.183 119.989 119.800 0.009 0.000 2.123 223 Q HA -0.078 4.262 4.340 -0.000 0.000 0.199 223 Q C 2.011 178.014 176.000 0.005 0.000 0.966 223 Q CA 1.169 56.976 55.803 0.007 0.000 0.845 223 Q CB 0.072 28.813 28.738 0.005 0.000 0.907 223 Q HN 0.148 nan 8.270 nan 0.000 0.439 224 A N 0.963 123.784 122.820 0.002 0.000 1.877 224 A HA -0.174 4.145 4.320 -0.000 0.000 0.216 224 A C 1.982 179.569 177.584 0.005 0.000 1.186 224 A CA 1.346 53.384 52.037 0.002 0.000 0.620 224 A CB -0.693 18.306 19.000 -0.001 0.000 0.822 224 A HN 0.458 nan 8.150 nan 0.000 0.443 225 I N -0.197 120.377 120.570 0.007 0.000 2.163 225 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 225 I C 2.954 179.079 176.117 0.012 0.000 1.085 225 I CA 1.178 62.486 61.300 0.012 0.000 1.347 225 I CB -0.311 37.698 38.000 0.016 0.000 1.044 225 I HN 0.359 nan 8.210 nan 0.000 0.408 226 A N 0.318 123.145 122.820 0.012 0.000 1.930 226 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 226 A C 2.388 179.977 177.584 0.008 0.000 1.175 226 A CA 2.079 54.122 52.037 0.011 0.000 0.627 226 A CB -0.629 18.378 19.000 0.011 0.000 0.815 226 A HN 0.524 nan 8.150 nan 0.000 0.443 227 S N -1.605 114.099 115.700 0.006 0.000 2.535 227 S HA 0.309 4.779 4.470 -0.000 0.000 0.214 227 S C 1.141 175.742 174.600 0.003 0.000 0.980 227 S CA 0.548 58.750 58.200 0.003 0.000 0.907 227 S CB 0.040 63.241 63.200 0.002 0.000 0.790 227 S HN 0.689 nan 8.310 nan 0.000 0.510 228 G N 0.799 109.601 108.800 0.004 0.000 4.644 228 G HA2 0.480 4.440 3.960 -0.000 0.000 0.307 228 G HA3 0.480 4.440 3.960 -0.000 0.000 0.307 228 G C -0.641 174.261 174.900 0.004 0.000 1.331 228 G CA -0.584 44.518 45.100 0.003 0.000 1.059 228 G HN 0.281 nan 8.290 nan 0.000 0.590 229 D N -0.658 119.744 120.400 0.004 0.000 2.772 229 D HA -0.151 4.489 4.640 -0.000 0.000 0.233 229 D C 1.567 177.871 176.300 0.006 0.000 1.143 229 D CA 1.843 55.845 54.000 0.004 0.000 0.700 229 D CB -1.158 39.643 40.800 0.001 0.000 1.076 229 D HN 1.130 nan 8.370 nan 0.000 0.430 230 G N -0.322 108.484 108.800 0.009 0.000 2.198 230 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 230 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 230 G C 0.096 175.005 174.900 0.015 0.000 1.025 230 G CA 0.902 46.010 45.100 0.014 0.000 0.769 230 G HN 0.860 nan 8.290 nan 0.000 0.507 231 Q N -2.425 117.383 119.800 0.013 0.000 2.590 231 Q HA 0.717 5.057 4.340 -0.000 0.000 0.295 231 Q C -1.173 174.839 176.000 0.020 0.000 0.973 231 Q CA -1.211 54.602 55.803 0.016 0.000 0.768 231 Q CB 1.971 30.712 28.738 0.004 0.000 1.479 231 Q HN 0.446 nan 8.270 nan 0.000 0.419 232 V N 2.392 122.326 119.914 0.034 0.000 2.250 232 V HA 0.378 4.498 4.120 -0.000 0.000 0.268 232 V C -0.377 175.741 176.094 0.041 0.000 1.043 232 V CA -0.244 62.078 62.300 0.038 0.000 0.814 232 V CB 0.341 32.193 31.823 0.049 0.000 1.072 232 V HN 0.802 nan 8.190 nan 0.000 0.451 233 S N 2.211 117.923 115.700 0.021 0.000 2.722 233 S HA 0.352 4.822 4.470 -0.000 0.000 0.292 233 S C 1.043 175.651 174.600 0.014 0.000 1.135 233 S CA -0.301 57.909 58.200 0.016 0.000 1.003 233 S CB 1.588 64.790 63.200 0.005 0.000 1.067 233 S HN 0.459 nan 8.310 nan 0.000 0.546 234 T N 1.176 115.737 114.554 0.012 0.000 3.072 234 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 234 T C 1.611 176.313 174.700 0.002 0.000 1.127 234 T CA 1.206 63.311 62.100 0.008 0.000 1.107 234 T CB -0.285 68.588 68.868 0.009 0.000 0.910 234 T HN 0.630 nan 8.240 nan 0.000 0.513 235 Q N 0.550 120.351 119.800 0.001 0.000 2.123 235 Q HA 0.180 4.520 4.340 -0.000 0.000 0.196 235 Q C 2.744 178.742 176.000 -0.003 0.000 0.958 235 Q CA 1.104 56.906 55.803 -0.002 0.000 0.841 235 Q CB -0.173 28.563 28.738 -0.003 0.000 0.915 235 Q HN 0.519 nan 8.270 nan 0.000 0.455 236 A N 0.464 123.284 122.820 -0.001 0.000 1.872 236 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 236 A C 2.319 179.901 177.584 -0.002 0.000 1.187 236 A CA 1.113 53.150 52.037 -0.001 0.000 0.614 236 A CB -0.688 18.313 19.000 0.002 0.000 0.826 236 A HN 0.170 nan 8.150 nan 0.000 0.442 237 V N 1.150 121.064 119.914 -0.001 0.000 2.220 237 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 237 V C 2.971 179.062 176.094 -0.005 0.000 1.049 237 V CA 2.558 64.857 62.300 -0.002 0.000 1.003 237 V CB -1.359 30.463 31.823 -0.001 0.000 0.634 237 V HN 0.787 nan 8.190 nan 0.000 0.444 238 S N 1.198 116.894 115.700 -0.006 0.000 2.440 238 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 238 S C 1.958 176.550 174.600 -0.014 0.000 1.010 238 S CA 1.412 59.606 58.200 -0.010 0.000 0.972 238 S CB -0.606 62.588 63.200 -0.011 0.000 0.774 238 S HN 0.632 nan 8.310 nan 0.000 0.501 239 A N 1.531 124.344 122.820 -0.012 0.000 1.968 239 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 239 A C 2.272 179.848 177.584 -0.012 0.000 1.169 239 A CA 1.317 53.346 52.037 -0.013 0.000 0.638 239 A CB -0.569 18.424 19.000 -0.010 0.000 0.812 239 A HN 0.520 nan 8.150 nan 0.000 0.446 240 M N -0.645 118.949 119.600 -0.009 0.000 2.123 240 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 240 M C 1.934 178.228 176.300 -0.009 0.000 1.069 240 M CA 1.490 56.785 55.300 -0.008 0.000 1.133 240 M CB -0.566 32.031 32.600 -0.005 0.000 1.356 240 M HN 0.439 nan 8.290 nan 0.000 0.415 241 L N -1.678 119.539 121.223 -0.011 0.000 2.116 241 L HA 0.182 4.522 4.340 -0.000 0.000 0.200 241 L C 1.321 178.180 176.870 -0.019 0.000 1.084 241 L CA 0.924 55.757 54.840 -0.012 0.000 0.766 241 L CB -0.304 41.750 42.059 -0.009 0.000 0.930 241 L HN 0.487 nan 8.230 nan 0.000 0.453 242 G N -0.161 108.625 108.800 -0.023 0.000 2.334 242 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.222 242 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.222 242 G C -0.102 174.774 174.900 -0.041 0.000 1.077 242 G CA -0.534 44.545 45.100 -0.035 0.000 0.861 242 G HN 0.077 nan 8.290 nan 0.000 0.508 243 T N 1.082 115.618 114.554 -0.030 0.000 2.904 243 T HA 0.423 4.773 4.350 -0.000 0.000 0.290 243 T C 1.991 176.671 174.700 -0.034 0.000 1.018 243 T CA -0.332 61.751 62.100 -0.028 0.000 1.075 243 T CB 1.383 70.243 68.868 -0.014 0.000 0.986 243 T HN 0.140 nan 8.240 nan 0.000 0.523 244 L N 1.021 122.223 121.223 -0.036 0.000 2.141 244 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 244 L C 1.745 178.601 176.870 -0.023 0.000 1.094 244 L CA 1.051 55.869 54.840 -0.038 0.000 0.763 244 L CB -0.477 41.559 42.059 -0.037 0.000 0.908 244 L HN 0.839 nan 8.230 nan 0.000 0.437 245 D N -0.776 119.616 120.400 -0.014 0.000 3.067 245 D HA -0.199 4.441 4.640 -0.000 0.000 0.216 245 D C -0.001 176.295 176.300 -0.005 0.000 1.162 245 D CA 0.947 54.942 54.000 -0.007 0.000 0.960 245 D CB -0.630 40.165 40.800 -0.009 0.000 1.129 245 D HN 0.303 nan 8.370 nan 0.000 0.408 246 D N -0.767 119.629 120.400 -0.007 0.000 2.332 246 D HA 0.256 4.896 4.640 -0.000 0.000 0.252 246 D C 0.965 177.266 176.300 0.003 0.000 1.050 246 D CA 0.164 54.161 54.000 -0.004 0.000 0.970 246 D CB 1.074 41.869 40.800 -0.009 0.000 1.141 246 D HN 0.332 nan 8.370 nan 0.000 0.485 247 D N -0.498 119.905 120.400 0.005 0.000 2.340 247 D HA -0.116 4.524 4.640 -0.000 0.000 0.220 247 D C 1.173 177.480 176.300 0.012 0.000 1.039 247 D CA 0.525 54.531 54.000 0.009 0.000 0.866 247 D CB 0.331 41.136 40.800 0.008 0.000 0.913 247 D HN 0.062 nan 8.370 nan 0.000 0.523 248 Q N 0.953 120.760 119.800 0.011 0.000 2.156 248 Q HA -0.276 4.064 4.340 -0.000 0.000 0.211 248 Q C 2.346 178.361 176.000 0.026 0.000 0.995 248 Q CA 1.907 57.721 55.803 0.018 0.000 0.877 248 Q CB -0.999 27.748 28.738 0.016 0.000 0.920 248 Q HN 0.557 nan 8.270 nan 0.000 0.416 249 A N 0.689 123.524 122.820 0.026 0.000 1.948 249 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 249 A C 2.130 179.731 177.584 0.029 0.000 1.177 249 A CA 1.725 53.782 52.037 0.034 0.000 0.636 249 A CB -0.565 18.454 19.000 0.033 0.000 0.815 249 A HN 0.339 nan 8.150 nan 0.000 0.449 250 L N -0.710 120.526 121.223 0.022 0.000 2.071 250 L HA 0.028 4.368 4.340 -0.000 0.000 0.201 250 L C 2.499 179.374 176.870 0.009 0.000 1.076 250 L CA 2.422 57.271 54.840 0.016 0.000 0.755 250 L CB -0.859 41.209 42.059 0.015 0.000 0.915 250 L HN 0.251 nan 8.230 nan 0.000 0.445 251 S N 0.116 115.822 115.700 0.011 0.000 2.381 251 S HA -0.271 4.199 4.470 -0.000 0.000 0.230 251 S C 1.988 176.591 174.600 0.006 0.000 1.052 251 S CA 2.094 60.299 58.200 0.008 0.000 1.068 251 S CB -0.739 62.468 63.200 0.012 0.000 0.918 251 S HN 0.450 nan 8.310 nan 0.000 0.448 252 L N 0.865 122.095 121.223 0.013 0.000 2.013 252 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 252 L C 2.374 179.235 176.870 -0.014 0.000 1.073 252 L CA 1.205 56.052 54.840 0.011 0.000 0.753 252 L CB -0.647 41.430 42.059 0.030 0.000 0.890 252 L HN 0.223 nan 8.230 nan 0.000 0.432 253 V N -0.220 119.682 119.914 -0.021 0.000 2.255 253 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 253 V C 2.330 178.379 176.094 -0.075 0.000 1.051 253 V CA 2.084 64.347 62.300 -0.062 0.000 1.018 253 V CB -0.619 31.180 31.823 -0.039 0.000 0.641 253 V HN 0.482 nan 8.190 nan 0.000 0.445 254 E N 0.425 120.603 120.200 -0.037 0.000 2.065 254 E HA -0.299 4.051 4.350 -0.000 0.000 0.201 254 E C 2.271 178.855 176.600 -0.026 0.000 1.016 254 E CA 1.682 58.066 56.400 -0.026 0.000 0.818 254 E CB -0.421 29.274 29.700 -0.008 0.000 0.749 254 E HN 0.619 nan 8.360 nan 0.000 0.453 255 A N 1.068 123.877 122.820 -0.020 0.000 1.969 255 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 255 A C 2.097 179.667 177.584 -0.022 0.000 1.169 255 A CA 1.220 53.249 52.037 -0.013 0.000 0.635 255 A CB -0.454 18.544 19.000 -0.004 0.000 0.810 255 A HN 0.266 nan 8.150 nan 0.000 0.445 256 M N 0.029 119.598 119.600 -0.052 0.000 2.065 256 M HA -0.136 4.344 4.480 -0.000 0.000 0.259 256 M C 1.546 177.793 176.300 -0.088 0.000 1.069 256 M CA 2.199 57.450 55.300 -0.082 0.000 1.110 256 M CB -0.161 32.347 32.600 -0.152 0.000 1.328 256 M HN 0.201 nan 8.290 nan 0.000 0.405 257 V N 1.155 120.969 119.914 -0.166 0.000 3.461 257 V HA -0.128 3.992 4.120 -0.000 0.000 0.267 257 V C 1.739 177.964 176.094 0.219 0.000 1.186 257 V CA 1.508 63.773 62.300 -0.059 0.000 1.154 257 V CB -1.249 30.436 31.823 -0.230 0.000 0.802 257 V HN 0.639 nan 8.190 nan 0.000 0.474 258 E N 1.160 121.409 120.200 0.082 0.000 2.472 258 E HA 0.418 4.768 4.350 -0.000 0.000 0.196 258 E C 1.044 177.641 176.600 -0.005 0.000 1.033 258 E CA 0.583 57.019 56.400 0.060 0.000 0.886 258 E CB 0.215 29.930 29.700 0.026 0.000 0.944 258 E HN 0.398 nan 8.360 nan 0.000 0.492 259 A N 1.586 124.395 122.820 -0.018 0.000 3.002 259 A HA -0.201 4.119 4.320 -0.000 0.000 0.272 259 A C 0.948 178.510 177.584 -0.037 0.000 1.421 259 A CA 0.781 52.778 52.037 -0.067 0.000 0.766 259 A CB -2.656 16.248 19.000 -0.160 0.000 1.034 259 A HN 0.407 nan 8.150 nan 0.000 0.541 260 N N -0.160 118.530 118.700 -0.016 0.000 2.300 260 N HA 0.057 4.797 4.740 -0.000 0.000 0.179 260 N C 2.055 177.560 175.510 -0.009 0.000 1.016 260 N CA 2.224 55.267 53.050 -0.011 0.000 0.876 260 N CB -0.368 38.116 38.487 -0.005 0.000 0.979 260 N HN 1.588 nan 8.380 nan 0.000 0.432 261 G N 1.689 110.486 108.800 -0.005 0.000 4.637 261 G HA2 -0.503 3.457 3.960 -0.000 0.000 0.359 261 G HA3 -0.503 3.457 3.960 -0.000 0.000 0.359 261 G C 1.120 176.020 174.900 0.000 0.000 1.577 261 G CA 1.575 46.674 45.100 -0.002 0.000 1.463 261 G HN 0.499 nan 8.290 nan 0.000 0.849 262 E N 0.939 121.138 120.200 -0.002 0.000 2.108 262 E HA -0.227 4.123 4.350 -0.000 0.000 0.203 262 E C 2.455 179.059 176.600 0.006 0.000 1.022 262 E CA 2.584 58.985 56.400 0.001 0.000 0.823 262 E CB -0.510 29.189 29.700 -0.001 0.000 0.744 262 E HN 0.725 nan 8.360 nan 0.000 0.456 263 R N -0.377 120.126 120.500 0.005 0.000 2.066 263 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 263 R C 2.320 178.629 176.300 0.015 0.000 1.131 263 R CA 1.527 57.633 56.100 0.009 0.000 0.955 263 R CB -0.316 29.988 30.300 0.006 0.000 0.851 263 R HN 0.185 nan 8.270 nan 0.000 0.432 264 V N 1.479 121.400 119.914 0.012 0.000 2.252 264 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 264 V C 2.546 178.654 176.094 0.023 0.000 1.056 264 V CA 1.839 64.148 62.300 0.016 0.000 1.022 264 V CB -0.443 31.387 31.823 0.011 0.000 0.641 264 V HN 0.372 nan 8.190 nan 0.000 0.445 265 M N -0.198 119.412 119.600 0.016 0.000 2.159 265 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 265 M C 2.372 178.690 176.300 0.030 0.000 1.063 265 M CA 2.053 57.363 55.300 0.017 0.000 1.110 265 M CB -1.683 30.921 32.600 0.008 0.000 1.374 265 M HN 0.422 nan 8.290 nan 0.000 0.411 266 A N 0.731 123.568 122.820 0.028 0.000 1.851 266 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 266 A C 2.340 179.952 177.584 0.046 0.000 1.195 266 A CA 1.500 53.556 52.037 0.032 0.000 0.622 266 A CB -1.097 17.917 19.000 0.023 0.000 0.831 266 A HN 0.453 nan 8.150 nan 0.000 0.444 267 L N -0.412 120.839 121.223 0.046 0.000 2.043 267 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 267 L C 2.495 179.424 176.870 0.098 0.000 1.075 267 L CA 1.489 56.364 54.840 0.058 0.000 0.752 267 L CB -0.576 41.513 42.059 0.050 0.000 0.891 267 L HN 0.423 nan 8.230 nan 0.000 0.432 268 I N -0.304 120.333 120.570 0.111 0.000 2.423 268 I HA -0.303 3.867 4.170 -0.000 0.000 0.254 268 I C 2.177 178.432 176.117 0.230 0.000 1.151 268 I CA 1.289 62.700 61.300 0.185 0.000 1.421 268 I CB -0.379 37.674 38.000 0.089 0.000 1.079 268 I HN 0.375 nan 8.210 nan 0.000 0.431 269 N N 1.006 119.788 118.700 0.136 0.000 2.148 269 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 269 N C 1.878 177.453 175.510 0.108 0.000 1.031 269 N CA 1.394 54.517 53.050 0.122 0.000 0.848 269 N CB -0.104 38.426 38.487 0.072 0.000 1.005 269 N HN 0.324 nan 8.380 nan 0.000 0.427 270 E N 0.049 120.294 120.200 0.075 0.000 2.097 270 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 270 E C 1.744 178.365 176.600 0.036 0.000 1.000 270 E CA 1.401 57.828 56.400 0.046 0.000 0.804 270 E CB -0.295 29.425 29.700 0.033 0.000 0.740 270 E HN 0.421 nan 8.360 nan 0.000 0.454 271 A N 1.348 124.203 122.820 0.059 0.000 1.908 271 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 271 A C 2.471 180.004 177.584 -0.086 0.000 1.181 271 A CA 2.047 54.083 52.037 -0.001 0.000 0.627 271 A CB -0.880 18.167 19.000 0.079 0.000 0.818 271 A HN 0.475 nan 8.150 nan 0.000 0.445 272 A N -0.227 122.648 122.820 0.092 0.000 1.933 272 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 272 A C 2.468 180.061 177.584 0.015 0.000 1.175 272 A CA 1.954 54.061 52.037 0.117 0.000 0.628 272 A CB -0.941 18.278 19.000 0.365 0.000 0.814 272 A HN 1.091 nan 8.150 nan 0.000 0.444 273 A N 0.106 122.940 122.820 0.024 0.000 1.972 273 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 273 A C 2.063 179.627 177.584 -0.033 0.000 1.169 273 A CA 1.406 53.446 52.037 0.005 0.000 0.635 273 A CB -0.385 18.622 19.000 0.012 0.000 0.810 273 A HN 0.573 nan 8.150 nan 0.000 0.446 274 R N -0.750 119.710 120.500 -0.066 0.000 2.356 274 R HA 0.260 4.600 4.340 -0.000 0.000 0.234 274 R C 0.848 177.068 176.300 -0.134 0.000 0.929 274 R CA 0.343 56.392 56.100 -0.086 0.000 1.084 274 R CB -0.285 29.967 30.300 -0.081 0.000 1.105 274 R HN 0.558 nan 8.270 nan 0.000 0.515 275 G N 2.563 111.261 108.800 -0.169 0.000 2.370 275 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.293 275 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.293 275 G C 0.077 174.781 174.900 -0.326 0.000 0.992 275 G CA -0.047 44.920 45.100 -0.222 0.000 1.247 275 G HN 0.291 nan 8.290 nan 0.000 0.505 276 I N 0.102 120.342 120.570 -0.550 0.000 2.662 276 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 276 I C 0.564 176.308 176.117 -0.622 0.000 1.046 276 I CA -0.684 60.279 61.300 -0.561 0.000 1.361 276 I CB 0.832 38.456 38.000 -0.626 0.000 1.429 276 I HN 0.124 nan 8.210 nan 0.000 0.558 277 E N 5.275 125.284 120.200 -0.319 0.000 1.842 277 E HA -0.033 4.317 4.350 -0.000 0.000 0.278 277 E C 0.436 176.998 176.600 -0.063 0.000 1.171 277 E CA 0.035 56.332 56.400 -0.172 0.000 1.127 277 E CB -0.265 29.390 29.700 -0.074 0.000 1.100 277 E HN 0.586 nan 8.360 nan 0.000 0.456 278 W N 1.888 123.192 121.300 0.005 0.000 2.256 278 W HA -0.356 4.304 4.660 -0.000 0.000 0.341 278 W C 2.186 178.707 176.519 0.004 0.000 1.372 278 W CA 1.607 58.955 57.345 0.005 0.000 1.342 278 W CB -0.181 29.284 29.460 0.007 0.000 1.107 278 W HN 0.473 nan 8.180 nan 0.000 0.474 279 E N 0.153 120.507 120.200 0.257 0.000 2.150 279 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 279 E C 2.206 178.863 176.600 0.095 0.000 0.985 279 E CA 1.169 57.654 56.400 0.142 0.000 0.814 279 E CB -0.280 29.480 29.700 0.101 0.000 0.752 279 E HN 0.240 nan 8.360 nan 0.000 0.466 280 A N 1.128 123.993 122.820 0.075 0.000 1.933 280 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 280 A C 2.125 179.739 177.584 0.050 0.000 1.175 280 A CA 1.296 53.358 52.037 0.042 0.000 0.628 280 A CB -0.642 18.365 19.000 0.011 0.000 0.814 280 A HN 0.403 nan 8.150 nan 0.000 0.444 281 L N -0.064 121.204 121.223 0.076 0.000 2.046 281 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 281 L C 2.262 179.182 176.870 0.085 0.000 1.077 281 L CA 1.703 56.595 54.840 0.088 0.000 0.747 281 L CB -0.549 41.601 42.059 0.153 0.000 0.896 281 L HN 0.414 nan 8.230 nan 0.000 0.432 282 L N -1.571 119.706 121.223 0.091 0.000 1.994 282 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 282 L C 2.465 179.354 176.870 0.033 0.000 1.071 282 L CA 1.363 56.236 54.840 0.055 0.000 0.745 282 L CB -0.845 41.238 42.059 0.040 0.000 0.892 282 L HN 0.123 nan 8.230 nan 0.000 0.431 283 V N -0.352 119.581 119.914 0.031 0.000 2.453 283 V HA -0.262 3.858 4.120 -0.000 0.000 0.252 283 V C 2.577 178.695 176.094 0.040 0.000 1.068 283 V CA 1.561 63.876 62.300 0.024 0.000 1.070 283 V CB -0.552 31.285 31.823 0.023 0.000 0.664 283 V HN 0.433 nan 8.190 nan 0.000 0.461 284 E N -0.176 120.051 120.200 0.045 0.000 2.031 284 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 284 E C 2.254 178.891 176.600 0.063 0.000 0.994 284 E CA 1.556 57.986 56.400 0.050 0.000 0.800 284 E CB -0.342 29.384 29.700 0.043 0.000 0.752 284 E HN 0.564 nan 8.360 nan 0.000 0.447 285 M N 0.307 119.942 119.600 0.059 0.000 2.149 285 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 285 M C 2.447 178.805 176.300 0.097 0.000 1.064 285 M CA 1.173 56.512 55.300 0.065 0.000 1.102 285 M CB -0.349 32.282 32.600 0.050 0.000 1.369 285 M HN 0.061 nan 8.290 nan 0.000 0.408 286 L N -0.523 120.750 121.223 0.083 0.000 2.141 286 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 286 L C 2.620 179.638 176.870 0.248 0.000 1.094 286 L CA 1.087 56.008 54.840 0.135 0.000 0.763 286 L CB -1.020 41.031 42.059 -0.014 0.000 0.908 286 L HN 0.404 nan 8.230 nan 0.000 0.437 287 G N -0.224 108.675 108.800 0.166 0.000 2.421 287 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 287 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 287 G C 1.616 176.637 174.900 0.201 0.000 1.143 287 G CA 0.240 45.450 45.100 0.183 0.000 0.784 287 G HN 0.201 nan 8.290 nan 0.000 0.541 288 L N -0.203 121.107 121.223 0.146 0.000 2.068 288 L HA 0.137 4.477 4.340 -0.000 0.000 0.204 288 L C 2.772 179.710 176.870 0.114 0.000 1.076 288 L CA 0.386 55.289 54.840 0.106 0.000 0.753 288 L CB -0.384 41.719 42.059 0.073 0.000 0.910 288 L HN 0.127 nan 8.230 nan 0.000 0.439 289 L N -0.545 120.776 121.223 0.164 0.000 2.265 289 L HA -0.248 4.091 4.340 -0.000 0.000 0.215 289 L C 2.597 179.558 176.870 0.152 0.000 1.117 289 L CA 0.934 55.883 54.840 0.182 0.000 0.782 289 L CB -0.573 41.659 42.059 0.289 0.000 0.914 289 L HN 0.407 nan 8.230 nan 0.000 0.441 290 H N 0.150 119.279 119.070 0.098 0.000 2.284 290 H HA -0.067 4.489 4.556 -0.000 0.000 0.304 290 H C 2.410 177.733 175.328 -0.007 0.000 1.069 290 H CA 1.459 57.509 56.048 0.004 0.000 1.327 290 H CB 0.069 29.861 29.762 0.051 0.000 1.387 290 H HN 0.006 nan 8.280 nan 0.000 0.498 291 R N 0.051 120.361 120.500 -0.317 0.000 2.091 291 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 291 R C 2.552 178.736 176.300 -0.193 0.000 1.136 291 R CA 1.682 57.585 56.100 -0.328 0.000 0.959 291 R CB -0.351 29.895 30.300 -0.089 0.000 0.856 291 R HN 0.423 nan 8.270 nan 0.000 0.437 292 I N 0.596 121.110 120.570 -0.093 0.000 2.264 292 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 292 I C 2.554 178.627 176.117 -0.073 0.000 1.111 292 I CA 1.290 62.558 61.300 -0.053 0.000 1.382 292 I CB -0.422 37.575 38.000 -0.005 0.000 1.060 292 I HN 0.189 nan 8.210 nan 0.000 0.418 293 A N 0.344 123.101 122.820 -0.105 0.000 1.969 293 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 293 A C 2.314 179.819 177.584 -0.131 0.000 1.169 293 A CA 1.198 53.171 52.037 -0.106 0.000 0.635 293 A CB -0.302 18.626 19.000 -0.120 0.000 0.810 293 A HN 0.271 nan 8.150 nan 0.000 0.445 294 M N -0.541 118.935 119.600 -0.206 0.000 2.349 294 M HA -0.012 4.468 4.480 -0.000 0.000 0.266 294 M C 1.945 178.181 176.300 -0.106 0.000 1.076 294 M CA 0.983 56.176 55.300 -0.178 0.000 1.126 294 M CB -0.721 31.715 32.600 -0.272 0.000 1.392 294 M HN 0.242 nan 8.290 nan 0.000 0.440 295 V N 0.092 119.949 119.914 -0.094 0.000 2.871 295 V HA -0.181 3.939 4.120 -0.000 0.000 0.256 295 V C 1.950 178.019 176.094 -0.041 0.000 1.082 295 V CA 1.152 63.418 62.300 -0.056 0.000 1.105 295 V CB -0.712 31.085 31.823 -0.044 0.000 0.713 295 V HN 0.521 nan 8.190 nan 0.000 0.473 296 Q N -0.811 118.962 119.800 -0.045 0.000 2.451 296 Q HA 0.055 4.394 4.340 -0.000 0.000 0.206 296 Q C 1.823 177.804 176.000 -0.031 0.000 0.947 296 Q CA 0.532 56.316 55.803 -0.032 0.000 0.937 296 Q CB 0.229 28.950 28.738 -0.030 0.000 1.025 296 Q HN 0.496 nan 8.270 nan 0.000 0.511 297 L N -0.631 120.569 121.223 -0.038 0.000 2.500 297 L HA 0.164 4.504 4.340 -0.000 0.000 0.219 297 L C 0.006 176.860 176.870 -0.026 0.000 1.057 297 L CA 0.775 55.596 54.840 -0.032 0.000 0.854 297 L CB 1.038 43.074 42.059 -0.038 0.000 1.078 297 L HN -0.023 nan 8.230 nan 0.000 0.480 298 S N -1.029 114.654 115.700 -0.029 0.000 2.423 298 S HA 0.406 4.876 4.470 -0.000 0.000 0.213 298 S C -2.124 172.463 174.600 -0.023 0.000 1.131 298 S CA -0.856 57.331 58.200 -0.022 0.000 1.155 298 S CB 0.820 64.009 63.200 -0.019 0.000 1.202 298 S HN 0.062 nan 8.310 nan 0.000 0.441 299 P HA -0.162 nan 4.420 nan 0.000 0.224 299 P C 0.996 178.288 177.300 -0.013 0.000 1.138 299 P CA 1.395 64.486 63.100 -0.016 0.000 0.780 299 P CB -0.152 31.542 31.700 -0.011 0.000 0.755 300 A N -0.790 122.023 122.820 -0.012 0.000 2.345 300 A HA 0.468 4.788 4.320 -0.000 0.000 0.225 300 A C 2.199 179.777 177.584 -0.010 0.000 1.243 300 A CA 0.541 52.573 52.037 -0.008 0.000 0.875 300 A CB -0.595 18.403 19.000 -0.004 0.000 0.929 300 A HN 0.180 nan 8.150 nan 0.000 0.502 301 A N -0.021 122.786 122.820 -0.021 0.000 2.024 301 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 301 A C 1.062 178.633 177.584 -0.021 0.000 1.164 301 A CA 0.463 52.482 52.037 -0.030 0.000 0.643 301 A CB -0.494 18.469 19.000 -0.061 0.000 0.806 301 A HN 0.470 nan 8.150 nan 0.000 0.451 302 L N 0.963 122.177 121.223 -0.015 0.000 2.597 302 L HA 0.155 4.495 4.340 -0.000 0.000 0.271 302 L C 1.506 178.379 176.870 0.006 0.000 1.157 302 L CA -0.367 54.470 54.840 -0.005 0.000 0.928 302 L CB -0.002 42.055 42.059 -0.003 0.000 1.216 302 L HN 0.410 nan 8.230 nan 0.000 0.481 303 G N 3.711 112.519 108.800 0.014 0.000 2.467 303 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.243 303 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.243 303 G C 0.829 175.742 174.900 0.023 0.000 1.521 303 G CA -0.210 44.903 45.100 0.022 0.000 1.055 303 G HN 0.655 nan 8.290 nan 0.000 0.553 304 N N 0.338 119.054 118.700 0.028 0.000 2.141 304 N HA -0.082 4.658 4.740 -0.000 0.000 0.187 304 N C 1.458 176.984 175.510 0.025 0.000 1.068 304 N CA 0.717 53.784 53.050 0.028 0.000 0.906 304 N CB -0.811 37.698 38.487 0.036 0.000 1.069 304 N HN 0.341 nan 8.380 nan 0.000 0.461 305 D N 0.653 121.071 120.400 0.028 0.000 2.417 305 D HA -0.100 4.540 4.640 -0.000 0.000 0.225 305 D C 0.922 177.235 176.300 0.021 0.000 0.983 305 D CA 0.336 54.351 54.000 0.025 0.000 0.949 305 D CB -0.275 40.542 40.800 0.028 0.000 0.879 305 D HN 0.231 nan 8.370 nan 0.000 0.520 306 M N -0.864 118.749 119.600 0.021 0.000 2.551 306 M HA 0.239 4.719 4.480 -0.000 0.000 0.252 306 M C 1.168 177.476 176.300 0.014 0.000 1.219 306 M CA -0.123 55.189 55.300 0.019 0.000 0.978 306 M CB 0.444 33.057 32.600 0.022 0.000 1.533 306 M HN -0.038 nan 8.290 nan 0.000 0.474 307 A N -0.581 122.247 122.820 0.013 0.000 2.132 307 A HA 0.307 4.627 4.320 -0.000 0.000 0.213 307 A C 2.065 179.654 177.584 0.008 0.000 1.154 307 A CA 0.980 53.023 52.037 0.010 0.000 0.753 307 A CB -0.348 18.657 19.000 0.009 0.000 0.826 307 A HN 0.587 nan 8.150 nan 0.000 0.469 308 A N 0.124 122.949 122.820 0.009 0.000 1.968 308 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 308 A C 1.916 179.504 177.584 0.007 0.000 1.169 308 A CA 1.395 53.437 52.037 0.007 0.000 0.638 308 A CB -0.422 18.582 19.000 0.007 0.000 0.812 308 A HN 0.485 nan 8.150 nan 0.000 0.446 309 I N -1.467 119.108 120.570 0.009 0.000 3.035 309 I HA -0.073 4.097 4.170 -0.000 0.000 0.271 309 I C 2.009 178.130 176.117 0.007 0.000 1.190 309 I CA 0.816 62.121 61.300 0.009 0.000 1.472 309 I CB -0.188 37.818 38.000 0.011 0.000 1.116 309 I HN 0.372 nan 8.210 nan 0.000 0.443 310 E N 1.838 122.042 120.200 0.007 0.000 2.689 310 E HA -0.361 3.989 4.350 -0.000 0.000 0.247 310 E C 1.859 178.461 176.600 0.004 0.000 1.031 310 E CA 2.434 58.837 56.400 0.005 0.000 1.400 310 E CB -0.932 28.770 29.700 0.005 0.000 1.296 310 E HN 0.294 nan 8.360 nan 0.000 0.475 311 L N 0.390 121.615 121.223 0.004 0.000 2.012 311 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 311 L C 2.617 179.489 176.870 0.005 0.000 1.073 311 L CA 2.457 57.299 54.840 0.004 0.000 0.748 311 L CB -0.559 41.503 42.059 0.004 0.000 0.891 311 L HN 0.209 nan 8.230 nan 0.000 0.431 312 R N -1.832 118.671 120.500 0.005 0.000 2.070 312 R HA -0.147 4.193 4.340 -0.000 0.000 0.233 312 R C 2.162 178.465 176.300 0.006 0.000 1.137 312 R CA 1.514 57.618 56.100 0.006 0.000 0.945 312 R CB -0.472 29.832 30.300 0.006 0.000 0.845 312 R HN 0.284 nan 8.270 nan 0.000 0.430 313 M N 0.686 120.290 119.600 0.005 0.000 2.082 313 M HA -0.201 4.279 4.480 -0.000 0.000 0.258 313 M C 2.157 178.458 176.300 0.001 0.000 1.071 313 M CA 1.810 57.112 55.300 0.004 0.000 1.103 313 M CB -0.996 31.606 32.600 0.002 0.000 1.307 313 M HN 0.130 nan 8.290 nan 0.000 0.409 314 R N -0.411 120.089 120.500 -0.000 0.000 2.189 314 R HA -0.106 4.234 4.340 -0.000 0.000 0.223 314 R C 2.086 178.388 176.300 0.003 0.000 1.092 314 R CA 0.589 56.688 56.100 -0.001 0.000 0.989 314 R CB -0.157 30.141 30.300 -0.002 0.000 0.876 314 R HN 0.378 nan 8.270 nan 0.000 0.457 315 E N 0.903 121.106 120.200 0.005 0.000 2.106 315 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 315 E C 1.886 178.493 176.600 0.011 0.000 0.984 315 E CA 1.027 57.432 56.400 0.008 0.000 0.806 315 E CB 0.083 29.788 29.700 0.008 0.000 0.750 315 E HN 0.348 nan 8.360 nan 0.000 0.458 316 L N -0.488 120.741 121.223 0.011 0.000 2.341 316 L HA 0.070 4.410 4.340 -0.000 0.000 0.214 316 L C 2.233 179.114 176.870 0.018 0.000 1.115 316 L CA 0.652 55.502 54.840 0.017 0.000 0.820 316 L CB -0.227 41.840 42.059 0.013 0.000 0.944 316 L HN -0.024 nan 8.230 nan 0.000 0.452 317 A N 1.059 123.885 122.820 0.009 0.000 2.119 317 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 317 A C 2.291 179.878 177.584 0.004 0.000 1.152 317 A CA 0.866 52.905 52.037 0.003 0.000 0.708 317 A CB -0.289 18.707 19.000 -0.008 0.000 0.805 317 A HN 0.542 nan 8.150 nan 0.000 0.460 318 R N -1.377 119.128 120.500 0.008 0.000 2.344 318 R HA 0.054 4.393 4.340 -0.000 0.000 0.209 318 R C 1.286 177.594 176.300 0.014 0.000 0.886 318 R CA 1.192 57.297 56.100 0.008 0.000 1.040 318 R CB -0.576 29.728 30.300 0.006 0.000 1.114 318 R HN 0.306 nan 8.270 nan 0.000 0.547 319 T N -1.536 113.030 114.554 0.020 0.000 3.040 319 T HA 0.406 4.756 4.350 -0.000 0.000 0.250 319 T C 0.630 175.353 174.700 0.039 0.000 1.058 319 T CA -0.320 61.797 62.100 0.028 0.000 0.988 319 T CB 0.040 68.926 68.868 0.030 0.000 0.993 319 T HN 0.077 nan 8.240 nan 0.000 0.519 320 I N 1.952 122.546 120.570 0.039 0.000 2.465 320 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 320 I C -2.786 173.351 176.117 0.034 0.000 1.014 320 I CA -3.107 58.225 61.300 0.053 0.000 1.093 320 I CB 2.281 40.329 38.000 0.081 0.000 1.267 320 I HN -0.190 nan 8.210 nan 0.000 0.431 321 P HA 0.041 nan 4.420 nan 0.000 0.263 321 P C -1.873 175.420 177.300 -0.012 0.000 1.195 321 P CA -0.905 62.193 63.100 -0.003 0.000 0.762 321 P CB 0.142 31.831 31.700 -0.018 0.000 0.799 322 P HA -0.164 nan 4.420 nan 0.000 0.221 322 P C 0.974 178.250 177.300 -0.039 0.000 1.145 322 P CA 1.558 64.645 63.100 -0.022 0.000 0.795 322 P CB -0.104 31.581 31.700 -0.025 0.000 0.775 323 T N -0.509 114.016 114.554 -0.047 0.000 2.985 323 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 323 T C 1.430 176.063 174.700 -0.111 0.000 1.076 323 T CA 1.153 63.215 62.100 -0.064 0.000 1.135 323 T CB -0.425 68.412 68.868 -0.051 0.000 0.890 323 T HN 0.141 nan 8.240 nan 0.000 0.480 324 D N 0.918 121.235 120.400 -0.138 0.000 2.162 324 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 324 D C 2.114 178.198 176.300 -0.361 0.000 0.964 324 D CA 0.528 54.346 54.000 -0.304 0.000 0.847 324 D CB -0.105 40.534 40.800 -0.269 0.000 0.988 324 D HN 0.327 nan 8.370 nan 0.000 0.480 325 I N 1.252 121.781 120.570 -0.068 0.000 2.335 325 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 325 I C 2.319 178.473 176.117 0.060 0.000 1.129 325 I CA 0.961 62.327 61.300 0.110 0.000 1.402 325 I CB -0.049 38.007 38.000 0.093 0.000 1.069 325 I HN -0.048 nan 8.210 nan 0.000 0.424 326 Q N -0.026 119.757 119.800 -0.028 0.000 2.167 326 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 326 Q C 2.183 178.188 176.000 0.008 0.000 0.970 326 Q CA 1.218 57.020 55.803 -0.002 0.000 0.855 326 Q CB -0.383 28.332 28.738 -0.040 0.000 0.911 326 Q HN 0.438 nan 8.270 nan 0.000 0.438 327 L N -0.403 120.731 121.223 -0.148 0.000 2.056 327 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 327 L C 1.836 178.630 176.870 -0.128 0.000 1.078 327 L CA 1.682 56.396 54.840 -0.209 0.000 0.749 327 L CB -0.635 41.182 42.059 -0.404 0.000 0.901 327 L HN 0.057 nan 8.230 nan 0.000 0.433 328 Y N -1.805 118.528 120.300 0.056 0.000 2.242 328 Y HA -0.215 4.335 4.550 -0.000 0.000 0.291 328 Y C 2.472 178.424 175.900 0.086 0.000 1.137 328 Y CA 1.527 59.663 58.100 0.059 0.000 1.181 328 Y CB -1.295 37.196 38.460 0.051 0.000 0.989 328 Y HN 0.302 nan 8.280 nan 0.000 0.527 329 Y N 1.013 121.396 120.300 0.138 0.000 2.114 329 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 329 Y C 2.724 178.651 175.900 0.045 0.000 1.143 329 Y CA 2.185 60.337 58.100 0.086 0.000 1.135 329 Y CB -0.585 37.916 38.460 0.068 0.000 0.980 329 Y HN 0.197 nan 8.280 nan 0.000 0.499 330 Q N -0.299 119.605 119.800 0.174 0.000 1.956 330 Q HA -0.243 4.097 4.340 -0.000 0.000 0.208 330 Q C 2.074 178.044 176.000 -0.050 0.000 0.998 330 Q CA 3.021 58.849 55.803 0.042 0.000 0.855 330 Q CB -0.589 28.175 28.738 0.044 0.000 0.928 330 Q HN 0.491 nan 8.270 nan 0.000 0.418 331 T N 1.816 116.356 114.554 -0.023 0.000 2.649 331 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 331 T C 1.784 176.461 174.700 -0.038 0.000 1.036 331 T CA 1.597 63.677 62.100 -0.034 0.000 1.157 331 T CB -0.420 68.461 68.868 0.021 0.000 0.861 331 T HN 0.253 nan 8.240 nan 0.000 0.445 332 L N 0.943 122.149 121.223 -0.028 0.000 1.976 332 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 332 L C 2.267 179.061 176.870 -0.126 0.000 1.071 332 L CA 1.429 56.236 54.840 -0.056 0.000 0.746 332 L CB -0.915 41.118 42.059 -0.044 0.000 0.890 332 L HN 0.188 nan 8.230 nan 0.000 0.432 333 L N -0.120 120.960 121.223 -0.239 0.000 1.997 333 L HA -0.300 4.040 4.340 -0.000 0.000 0.216 333 L C 2.556 179.340 176.870 -0.144 0.000 1.074 333 L CA 2.377 57.059 54.840 -0.263 0.000 0.763 333 L CB -0.904 40.923 42.059 -0.386 0.000 0.890 333 L HN 0.385 nan 8.230 nan 0.000 0.434 334 I N -0.253 120.246 120.570 -0.119 0.000 2.118 334 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 334 I C 2.710 178.774 176.117 -0.088 0.000 1.070 334 I CA 1.353 62.594 61.300 -0.098 0.000 1.327 334 I CB -1.257 36.682 38.000 -0.102 0.000 1.034 334 I HN 0.371 nan 8.210 nan 0.000 0.405 335 G N 1.019 109.772 108.800 -0.078 0.000 2.574 335 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.220 335 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.220 335 G C 1.738 176.613 174.900 -0.043 0.000 1.173 335 G CA 1.411 46.475 45.100 -0.059 0.000 0.772 335 G HN 0.362 nan 8.290 nan 0.000 0.585 336 R N 1.104 121.580 120.500 -0.041 0.000 2.117 336 R HA -0.203 4.137 4.340 -0.000 0.000 0.243 336 R C 2.514 178.813 176.300 -0.002 0.000 1.143 336 R CA 2.166 58.256 56.100 -0.018 0.000 0.968 336 R CB -0.236 30.046 30.300 -0.030 0.000 0.863 336 R HN 0.466 nan 8.270 nan 0.000 0.444 337 K N 0.465 120.851 120.400 -0.023 0.000 2.211 337 K HA -0.078 4.241 4.320 -0.000 0.000 0.203 337 K C 0.976 177.585 176.600 0.016 0.000 1.050 337 K CA 1.725 58.009 56.287 -0.005 0.000 0.945 337 K CB 0.199 32.675 32.500 -0.040 0.000 0.732 337 K HN 0.256 nan 8.250 nan 0.000 0.451 338 E N 0.090 120.272 120.200 -0.030 0.000 2.476 338 E HA 0.027 4.377 4.350 -0.000 0.000 0.196 338 E C 1.092 177.727 176.600 0.057 0.000 1.029 338 E CA -0.080 56.298 56.400 -0.037 0.000 0.896 338 E CB 0.205 29.821 29.700 -0.139 0.000 1.012 338 E HN 0.195 nan 8.360 nan 0.000 0.475 339 L N 2.578 123.834 121.223 0.055 0.000 2.027 339 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 339 L C -0.704 176.211 176.870 0.073 0.000 1.074 339 L CA 1.996 56.862 54.840 0.044 0.000 0.745 339 L CB -0.885 41.197 42.059 0.038 0.000 0.898 339 L HN 0.058 nan 8.230 nan 0.000 0.433 340 P HA -0.173 nan 4.420 nan 0.000 0.225 340 P C 1.197 178.539 177.300 0.070 0.000 1.156 340 P CA 1.298 64.441 63.100 0.072 0.000 0.787 340 P CB -0.101 31.630 31.700 0.051 0.000 0.802 341 Y N 1.281 121.573 120.300 -0.015 0.000 2.242 341 Y HA 0.068 4.618 4.550 -0.000 0.000 0.291 341 Y C 1.920 177.808 175.900 -0.019 0.000 1.137 341 Y CA 0.537 58.628 58.100 -0.015 0.000 1.181 341 Y CB -1.139 37.310 38.460 -0.018 0.000 0.989 341 Y HN -0.082 nan 8.280 nan 0.000 0.527 342 A N 1.520 124.422 122.820 0.136 0.000 2.507 342 A HA 0.016 4.336 4.320 -0.000 0.000 0.235 342 A C -0.975 176.622 177.584 0.022 0.000 1.070 342 A CA -0.486 51.583 52.037 0.053 0.000 0.768 342 A CB -0.458 18.545 19.000 0.005 0.000 1.011 342 A HN 0.243 nan 8.150 nan 0.000 0.502 343 P HA -0.027 nan 4.420 nan 0.000 0.219 343 P C -0.067 177.229 177.300 -0.007 0.000 1.150 343 P CA 1.119 64.219 63.100 -0.000 0.000 0.814 343 P CB 0.232 31.930 31.700 -0.002 0.000 0.787 344 D N -1.039 119.346 120.400 -0.025 0.000 2.780 344 D HA 0.148 4.787 4.640 -0.000 0.000 0.242 344 D C 0.952 177.200 176.300 -0.087 0.000 1.135 344 D CA -0.546 53.432 54.000 -0.037 0.000 0.859 344 D CB 2.036 42.809 40.800 -0.046 0.000 1.530 344 D HN -0.252 nan 8.370 nan 0.000 0.493 345 R N 2.492 122.952 120.500 -0.066 0.000 2.091 345 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 345 R C 2.211 178.214 176.300 -0.495 0.000 1.136 345 R CA 1.259 57.283 56.100 -0.126 0.000 0.959 345 R CB -0.234 30.124 30.300 0.097 0.000 0.856 345 R HN 0.338 nan 8.270 nan 0.000 0.437 346 R N 0.665 120.721 120.500 -0.740 0.000 2.070 346 R HA -0.125 4.215 4.340 -0.000 0.000 0.233 346 R C 2.189 178.119 176.300 -0.617 0.000 1.137 346 R CA 1.833 57.219 56.100 -1.189 0.000 0.945 346 R CB -0.251 29.621 30.300 -0.713 0.000 0.845 346 R HN 0.182 nan 8.270 nan 0.000 0.430 347 M N 0.588 119.990 119.600 -0.329 0.000 2.144 347 M HA -0.083 4.397 4.480 -0.000 0.000 0.260 347 M C 1.901 178.090 176.300 -0.185 0.000 1.067 347 M CA 2.186 57.368 55.300 -0.197 0.000 1.095 347 M CB -0.655 31.878 32.600 -0.113 0.000 1.365 347 M HN 0.341 nan 8.290 nan 0.000 0.406 348 G N -1.305 107.376 108.800 -0.199 0.000 2.418 348 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 348 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 348 G C 1.399 176.204 174.900 -0.157 0.000 1.158 348 G CA 1.130 46.146 45.100 -0.140 0.000 0.771 348 G HN 0.419 nan 8.290 nan 0.000 0.545 349 V N 0.886 120.643 119.914 -0.262 0.000 2.453 349 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 349 V C 2.626 178.622 176.094 -0.162 0.000 1.048 349 V CA 2.032 64.205 62.300 -0.211 0.000 1.049 349 V CB -0.473 31.160 31.823 -0.316 0.000 0.672 349 V HN 0.490 nan 8.190 nan 0.000 0.457 350 E N -0.509 119.568 120.200 -0.205 0.000 2.204 350 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 350 E C 2.256 178.814 176.600 -0.071 0.000 0.990 350 E CA 1.060 57.386 56.400 -0.124 0.000 0.821 350 E CB -0.182 29.439 29.700 -0.131 0.000 0.750 350 E HN 0.421 nan 8.360 nan 0.000 0.477 351 M N 0.518 120.071 119.600 -0.079 0.000 2.065 351 M HA -0.135 4.345 4.480 -0.000 0.000 0.259 351 M C 2.403 178.693 176.300 -0.017 0.000 1.071 351 M CA 1.685 56.960 55.300 -0.042 0.000 1.109 351 M CB -1.172 31.399 32.600 -0.048 0.000 1.313 351 M HN 0.088 nan 8.290 nan 0.000 0.408 352 T N 1.530 116.067 114.554 -0.028 0.000 2.746 352 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 352 T C 2.008 176.724 174.700 0.026 0.000 1.039 352 T CA 1.043 63.140 62.100 -0.005 0.000 1.142 352 T CB -0.325 68.531 68.868 -0.019 0.000 0.866 352 T HN 0.294 nan 8.240 nan 0.000 0.444 353 L N 0.344 121.575 121.223 0.013 0.000 2.093 353 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 353 L C 2.380 179.282 176.870 0.054 0.000 1.085 353 L CA 1.089 55.948 54.840 0.032 0.000 0.755 353 L CB -0.569 41.497 42.059 0.012 0.000 0.904 353 L HN 0.272 nan 8.230 nan 0.000 0.435 354 L N -0.574 120.674 121.223 0.042 0.000 2.395 354 L HA -0.117 4.223 4.340 -0.000 0.000 0.218 354 L C 2.637 179.571 176.870 0.106 0.000 1.130 354 L CA 0.281 55.154 54.840 0.055 0.000 0.826 354 L CB -0.266 41.811 42.059 0.030 0.000 0.941 354 L HN 0.204 nan 8.230 nan 0.000 0.451 355 R N 0.792 121.368 120.500 0.126 0.000 2.075 355 R HA -0.009 4.331 4.340 -0.000 0.000 0.226 355 R C 2.150 178.624 176.300 0.290 0.000 1.114 355 R CA 1.479 57.705 56.100 0.210 0.000 0.972 355 R CB -0.388 29.980 30.300 0.113 0.000 0.869 355 R HN 0.214 nan 8.270 nan 0.000 0.437 356 A N -0.248 122.706 122.820 0.224 0.000 2.119 356 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 356 A C 1.756 179.552 177.584 0.353 0.000 1.152 356 A CA 0.699 52.925 52.037 0.315 0.000 0.708 356 A CB -0.262 18.916 19.000 0.296 0.000 0.805 356 A HN 0.278 nan 8.150 nan 0.000 0.460 357 L N -0.805 120.556 121.223 0.230 0.000 2.102 357 L HA 0.103 4.443 4.340 -0.000 0.000 0.202 357 L C 2.874 179.827 176.870 0.138 0.000 1.076 357 L CA 1.754 56.698 54.840 0.172 0.000 0.761 357 L CB -0.845 41.263 42.059 0.083 0.000 0.921 357 L HN 0.332 nan 8.230 nan 0.000 0.444 358 A N -0.804 122.080 122.820 0.106 0.000 1.858 358 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 358 A C 0.948 178.449 177.584 -0.138 0.000 1.190 358 A CA 1.152 53.153 52.037 -0.059 0.000 0.617 358 A CB -0.936 17.993 19.000 -0.118 0.000 0.827 358 A HN 0.272 nan 8.150 nan 0.000 0.443 359 F N 0.448 120.457 119.950 0.097 0.000 2.541 359 F HA 0.373 4.900 4.527 -0.000 0.000 0.351 359 F C 0.292 176.188 175.800 0.160 0.000 1.209 359 F CA 0.153 58.208 58.000 0.091 0.000 1.277 359 F CB -0.261 38.766 39.000 0.045 0.000 1.632 359 F HN 0.428 nan 8.300 nan 0.000 0.619 360 H N 2.811 121.960 119.070 0.132 0.000 2.966 360 H HA 0.294 4.850 4.556 -0.000 0.000 0.347 360 H C -2.777 172.593 175.328 0.070 0.000 1.048 360 H CA -2.613 53.515 56.048 0.134 0.000 1.295 360 H CB 2.429 32.330 29.762 0.231 0.000 1.744 360 H HN 0.056 nan 8.280 nan 0.000 0.513 361 P HA 0.014 nan 4.420 nan 0.000 0.259 361 P C -0.731 176.732 177.300 0.273 0.000 1.211 361 P CA 0.421 63.683 63.100 0.270 0.000 0.810 361 P CB 0.065 31.860 31.700 0.158 0.000 0.815 362 R N 0.522 121.069 120.500 0.080 0.000 3.280 362 R HA -0.030 4.310 4.340 -0.000 0.000 0.291 362 R C 0.097 176.303 176.300 -0.157 0.000 1.118 362 R CA 0.068 56.154 56.100 -0.022 0.000 0.764 362 R CB -1.806 28.500 30.300 0.011 0.000 1.428 362 R HN 0.501 nan 8.270 nan 0.000 0.428 363 M N 0.505 120.015 119.600 -0.151 0.000 2.788 363 M HA 0.500 4.980 4.480 -0.000 0.000 0.291 363 M C -1.924 174.308 176.300 -0.113 0.000 1.213 363 M CA -2.157 53.029 55.300 -0.189 0.000 0.768 363 M CB 1.227 33.694 32.600 -0.221 0.000 1.766 363 M HN -0.173 nan 8.290 nan 0.000 0.460 364 P HA -0.045 nan 4.420 nan 0.000 0.265 364 P C -1.498 175.745 177.300 -0.095 0.000 1.151 364 P CA 0.887 63.936 63.100 -0.084 0.000 0.755 364 P CB 0.082 31.738 31.700 -0.074 0.000 0.756 365 L N 3.098 124.275 121.223 -0.077 0.000 2.303 365 L HA 0.589 4.929 4.340 -0.000 0.000 0.256 365 L C -1.677 175.156 176.870 -0.061 0.000 1.034 365 L CA -2.094 52.701 54.840 -0.075 0.000 0.832 365 L CB 1.601 43.624 42.059 -0.059 0.000 1.403 365 L HN 0.352 nan 8.230 nan 0.000 0.419 366 P HA 0.498 nan 4.420 nan 0.000 0.276 366 P C -1.320 175.961 177.300 -0.032 0.000 1.252 366 P CA -0.370 62.704 63.100 -0.043 0.000 0.802 366 P CB 1.902 33.577 31.700 -0.042 0.000 1.035 367 E N -0.587 119.597 120.200 -0.026 0.000 2.429 367 E HA 0.358 4.708 4.350 -0.000 0.000 0.280 367 E C -2.099 174.491 176.600 -0.016 0.000 1.068 367 E CA -1.144 55.244 56.400 -0.020 0.000 0.837 367 E CB 0.835 30.523 29.700 -0.020 0.000 1.357 367 E HN 0.570 nan 8.360 nan 0.000 0.455 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.009 0.000 0.726