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 2i7p_1_B DATA FIRST_RESID 7 DATA SEQUENCE VPRGSPWFGM DIGGTLVKLS YFEPIDITAE EEQEEVESLK SIRKYLTSNX DATA SEQUENCE XXXXTGIRDV HLELKDLTLF GRRGNLHFIR FPTQDLPTFI QMGRDKNFST DATA SEQUENCE LQTVLCATGG GAYKFEKDFR TIGNLHLHKL DELDCLVKGL LYIDSVSXXX DATA SEQUENCE QAECYYFANA SEPERCQKMP FNLDDPYPLL VVNIGSGVSI LAVHSKDNYK DATA SEQUENCE RVTGTSLGGG TFLGLCSLLT GCESFEEALE MASKGDSTQA DKLVRDIYGG DATA SEQUENCE DYERFGLPGW AVASSFGNMI YKEKRESVSK EDLARATLVT ITNNIGSVAR DATA SEQUENCE MCAVNEKINR VVFVGNFLRV NTLSMKLLAY ALDYWSKGQL KALFLEHEGY DATA SEQUENCE FGAVGALLGL PN 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 175.717 176.094 -0.629 0.000 1.182 7 V CA 0.000 61.946 62.300 -0.591 0.000 1.235 7 V CB 0.000 31.688 31.823 -0.225 0.000 1.184 8 P HA 0.226 nan 4.420 nan 0.000 0.268 8 P C 0.596 177.770 177.300 -0.210 0.000 1.208 8 P CA -0.041 62.680 63.100 -0.631 0.000 0.777 8 P CB 0.856 31.992 31.700 -0.939 0.000 0.875 9 R N 1.616 122.037 120.500 -0.131 0.000 2.080 9 R HA 0.059 4.399 4.340 -0.001 0.000 0.222 9 R C 1.044 177.362 176.300 0.030 0.000 1.107 9 R CA 1.009 57.085 56.100 -0.040 0.000 0.980 9 R CB -0.505 29.765 30.300 -0.049 0.000 0.879 9 R HN 0.640 nan 8.270 nan 0.000 0.439 10 G N -0.518 108.306 108.800 0.040 0.000 2.522 10 G HA2 0.362 4.322 3.960 -0.001 0.000 0.304 10 G HA3 0.362 4.322 3.960 -0.001 0.000 0.304 10 G C -1.344 173.633 174.900 0.127 0.000 1.210 10 G CA -0.413 44.722 45.100 0.059 0.000 0.960 10 G HN 0.193 nan 8.290 nan 0.000 0.497 11 S N 0.142 115.846 115.700 0.005 0.000 2.536 11 S HA 0.702 5.172 4.470 -0.001 0.000 0.271 11 S C -2.833 171.625 174.600 -0.237 0.000 1.134 11 S CA -1.083 57.028 58.200 -0.149 0.000 0.897 11 S CB 2.487 65.583 63.200 -0.174 0.000 1.094 11 S HN 0.460 nan 8.310 nan 0.000 0.473 12 P HA 0.308 nan 4.420 nan 0.000 0.277 12 P C -0.941 176.238 177.300 -0.202 0.000 1.271 12 P CA -0.488 62.359 63.100 -0.422 0.000 0.795 12 P CB 0.400 31.819 31.700 -0.468 0.000 1.101 13 W N 1.438 122.734 121.300 -0.007 0.000 2.335 13 W HA 0.374 5.034 4.660 -0.001 0.000 0.307 13 W C -0.175 176.438 176.519 0.156 0.000 1.117 13 W CA 0.059 57.394 57.345 -0.016 0.000 1.228 13 W CB -0.498 29.032 29.460 0.116 0.000 1.240 13 W HN 0.259 nan 8.180 nan 0.000 0.468 14 F N 0.425 120.617 119.950 0.404 0.000 2.668 14 F HA 0.905 5.431 4.527 -0.001 0.000 0.309 14 F C -0.378 175.591 175.800 0.281 0.000 1.117 14 F CA -2.290 55.923 58.000 0.355 0.000 0.951 14 F CB 1.033 40.270 39.000 0.394 0.000 1.323 14 F HN 0.340 nan 8.300 nan 0.000 0.451 15 G N 1.595 110.735 108.800 0.568 0.000 2.612 15 G HA2 0.703 4.662 3.960 -0.001 0.000 0.298 15 G HA3 0.703 4.662 3.960 -0.001 0.000 0.298 15 G C -1.741 173.356 174.900 0.329 0.000 1.336 15 G CA -1.190 44.150 45.100 0.399 0.000 0.953 15 G HN 1.071 nan 8.290 nan 0.000 0.482 16 M N 0.393 120.134 119.600 0.235 0.000 2.501 16 M HA 0.686 5.166 4.480 -0.001 0.000 0.293 16 M C -2.176 174.152 176.300 0.045 0.000 1.192 16 M CA -0.945 54.420 55.300 0.108 0.000 0.886 16 M CB 2.937 35.551 32.600 0.024 0.000 1.710 16 M HN 0.367 nan 8.290 nan 0.000 0.457 17 D N 3.050 123.440 120.400 -0.017 0.000 2.453 17 D HA 0.496 5.136 4.640 -0.001 0.000 0.238 17 D C -1.313 174.913 176.300 -0.124 0.000 1.088 17 D CA -0.294 53.677 54.000 -0.048 0.000 0.854 17 D CB 0.872 41.649 40.800 -0.039 0.000 1.076 17 D HN 0.710 nan 8.370 nan 0.000 0.533 18 I N 3.540 124.038 120.570 -0.120 0.000 2.301 18 I HA 0.418 4.587 4.170 -0.001 0.000 0.292 18 I C 1.241 177.290 176.117 -0.114 0.000 1.046 18 I CA -0.604 60.603 61.300 -0.155 0.000 1.282 18 I CB 1.363 39.276 38.000 -0.146 0.000 1.409 18 I HN 0.325 nan 8.210 nan 0.000 0.484 19 G N 3.414 112.138 108.800 -0.127 0.000 2.531 19 G HA2 0.419 4.378 3.960 -0.001 0.000 0.313 19 G HA3 0.419 4.378 3.960 -0.001 0.000 0.313 19 G C 0.950 175.818 174.900 -0.053 0.000 1.238 19 G CA -0.198 44.852 45.100 -0.084 0.000 0.994 19 G HN 0.690 nan 8.290 nan 0.000 0.493 20 G N -1.266 107.520 108.800 -0.025 0.000 2.418 20 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.217 20 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.217 20 G C 1.425 176.325 174.900 -0.000 0.000 1.158 20 G CA 1.873 46.975 45.100 0.004 0.000 0.771 20 G HN 0.581 nan 8.290 nan 0.000 0.545 21 T N -0.264 114.277 114.554 -0.021 0.000 3.046 21 T HA 0.375 4.725 4.350 -0.001 0.000 0.242 21 T C 0.646 175.311 174.700 -0.058 0.000 1.018 21 T CA 0.087 62.175 62.100 -0.020 0.000 1.131 21 T CB 0.176 69.038 68.868 -0.010 0.000 0.904 21 T HN -0.031 nan 8.240 nan 0.000 0.459 22 L N 1.234 122.395 121.223 -0.103 0.000 2.341 22 L HA 0.649 4.989 4.340 -0.001 0.000 0.267 22 L C -1.146 175.550 176.870 -0.291 0.000 1.009 22 L CA -1.152 53.579 54.840 -0.181 0.000 0.819 22 L CB 2.586 44.557 42.059 -0.146 0.000 1.323 22 L HN -0.126 nan 8.230 nan 0.000 0.425 23 V N 1.842 121.444 119.914 -0.520 0.000 2.398 23 V HA 0.348 4.467 4.120 -0.001 0.000 0.286 23 V C -0.213 175.533 176.094 -0.580 0.000 1.026 23 V CA -0.797 61.107 62.300 -0.660 0.000 0.868 23 V CB 1.596 32.714 31.823 -1.176 0.000 0.982 23 V HN 0.612 nan 8.190 nan 0.000 0.443 24 K N 4.290 124.493 120.400 -0.328 0.000 2.213 24 K HA 0.658 4.977 4.320 -0.001 0.000 0.270 24 K C -1.100 175.509 176.600 0.015 0.000 1.002 24 K CA -0.579 55.615 56.287 -0.155 0.000 0.868 24 K CB 1.743 34.070 32.500 -0.288 0.000 1.093 24 K HN 0.448 nan 8.250 nan 0.000 0.454 25 L N 1.689 123.037 121.223 0.208 0.000 2.362 25 L HA 0.447 4.786 4.340 -0.001 0.000 0.275 25 L C -1.003 176.069 176.870 0.337 0.000 0.998 25 L CA -0.081 54.897 54.840 0.230 0.000 0.820 25 L CB 2.140 44.288 42.059 0.148 0.000 1.270 25 L HN 0.529 nan 8.230 nan 0.000 0.415 26 S N 3.764 119.645 115.700 0.301 0.000 2.502 26 S HA 0.773 5.242 4.470 -0.001 0.000 0.304 26 S C -1.355 173.391 174.600 0.244 0.000 1.097 26 S CA -0.378 57.885 58.200 0.105 0.000 1.045 26 S CB 0.599 63.884 63.200 0.142 0.000 1.019 26 S HN 0.580 nan 8.310 nan 0.000 0.481 27 Y N 2.295 122.648 120.300 0.089 0.000 2.553 27 Y HA 0.776 5.326 4.550 -0.001 0.000 0.347 27 Y C -1.469 174.584 175.900 0.256 0.000 1.019 27 Y CA -1.743 56.512 58.100 0.258 0.000 1.032 27 Y CB 0.605 39.229 38.460 0.274 0.000 1.284 27 Y HN 0.504 nan 8.280 nan 0.000 0.466 28 F N 2.944 123.105 119.950 0.352 0.000 2.408 28 F HA 0.428 4.954 4.527 -0.001 0.000 0.344 28 F C -0.110 175.830 175.800 0.233 0.000 1.112 28 F CA -0.640 57.506 58.000 0.243 0.000 1.096 28 F CB 1.191 40.390 39.000 0.332 0.000 1.129 28 F HN 0.762 nan 8.300 nan 0.000 0.486 29 E N 8.245 128.172 120.200 -0.455 0.000 2.101 29 E HA 0.336 4.685 4.350 -0.001 0.000 0.260 29 E C -2.674 173.484 176.600 -0.737 0.000 0.897 29 E CA -2.518 53.674 56.400 -0.347 0.000 0.744 29 E CB 1.091 30.779 29.700 -0.019 0.000 1.140 29 E HN 0.312 nan 8.360 nan 0.000 0.419 30 P HA 0.012 nan 4.420 nan 0.000 0.266 30 P C -0.036 177.136 177.300 -0.214 0.000 1.195 30 P CA 0.108 62.986 63.100 -0.370 0.000 0.768 30 P CB 0.628 32.236 31.700 -0.154 0.000 0.838 31 I N 2.036 122.532 120.570 -0.123 0.000 4.081 31 I HA 0.110 4.279 4.170 -0.001 0.000 0.333 31 I C -0.136 175.975 176.117 -0.009 0.000 1.413 31 I CA 0.240 61.505 61.300 -0.058 0.000 1.110 31 I CB -0.040 37.934 38.000 -0.043 0.000 1.082 31 I HN 0.162 nan 8.210 nan 0.000 0.402 32 D N 0.049 120.454 120.400 0.007 0.000 2.891 32 D HA 0.188 4.828 4.640 -0.001 0.000 0.312 32 D C 0.089 176.397 176.300 0.013 0.000 1.354 32 D CA -0.296 53.720 54.000 0.026 0.000 0.838 32 D CB -0.072 40.764 40.800 0.060 0.000 1.117 32 D HN -0.107 nan 8.370 nan 0.000 0.473 33 I N 1.569 122.135 120.570 -0.008 0.000 2.648 33 I HA 0.099 4.269 4.170 -0.001 0.000 0.284 33 I C 1.614 177.728 176.117 -0.004 0.000 1.153 33 I CA 0.473 61.764 61.300 -0.015 0.000 1.426 33 I CB 1.018 39.001 38.000 -0.028 0.000 1.381 33 I HN 0.284 nan 8.210 nan 0.000 0.571 34 T N 1.886 116.437 114.554 -0.004 0.000 3.313 34 T HA 0.299 4.649 4.350 -0.001 0.000 0.266 34 T C 0.751 175.450 174.700 -0.001 0.000 0.987 34 T CA 0.273 62.374 62.100 0.002 0.000 1.086 34 T CB -0.080 68.793 68.868 0.008 0.000 1.159 34 T HN 0.580 nan 8.240 nan 0.000 0.450 35 A N 1.969 124.787 122.820 -0.004 0.000 2.425 35 A HA 0.440 4.759 4.320 -0.001 0.000 0.242 35 A C 1.432 179.012 177.584 -0.007 0.000 1.077 35 A CA -0.258 51.776 52.037 -0.005 0.000 0.781 35 A CB 0.187 19.183 19.000 -0.006 0.000 1.020 35 A HN 0.382 nan 8.150 nan 0.000 0.494 36 E N 0.567 120.765 120.200 -0.004 0.000 2.072 36 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 36 E C 1.799 178.398 176.600 -0.003 0.000 0.985 36 E CA 1.573 57.972 56.400 -0.003 0.000 0.801 36 E CB -0.080 29.619 29.700 -0.000 0.000 0.750 36 E HN 0.910 nan 8.360 nan 0.000 0.452 37 E N 0.663 120.863 120.200 -0.001 0.000 2.085 37 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 37 E C 1.961 178.558 176.600 -0.004 0.000 0.994 37 E CA 1.402 57.804 56.400 0.004 0.000 0.801 37 E CB -0.020 29.683 29.700 0.006 0.000 0.743 37 E HN 0.198 nan 8.360 nan 0.000 0.453 38 E N -0.340 119.847 120.200 -0.023 0.000 2.152 38 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 38 E C 2.037 178.610 176.600 -0.045 0.000 0.983 38 E CA 0.902 57.271 56.400 -0.051 0.000 0.818 38 E CB 0.072 29.733 29.700 -0.065 0.000 0.758 38 E HN 0.138 nan 8.360 nan 0.000 0.467 39 Q N 1.085 120.870 119.800 -0.027 0.000 2.119 39 Q HA -0.178 4.162 4.340 -0.001 0.000 0.201 39 Q C 1.446 177.439 176.000 -0.010 0.000 0.972 39 Q CA 1.776 57.566 55.803 -0.021 0.000 0.847 39 Q CB 0.068 28.798 28.738 -0.013 0.000 0.903 39 Q HN 0.343 nan 8.270 nan 0.000 0.433 40 E N -0.083 120.119 120.200 0.003 0.000 2.208 40 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 40 E C 1.828 178.461 176.600 0.055 0.000 0.988 40 E CA 0.936 57.350 56.400 0.022 0.000 0.828 40 E CB -0.006 29.710 29.700 0.026 0.000 0.763 40 E HN 0.550 nan 8.360 nan 0.000 0.478 41 E N 0.746 120.974 120.200 0.047 0.000 2.072 41 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 41 E C 2.284 178.884 176.600 0.001 0.000 0.985 41 E CA 0.937 57.378 56.400 0.068 0.000 0.801 41 E CB 0.021 29.655 29.700 -0.110 0.000 0.750 41 E HN 0.059 nan 8.360 nan 0.000 0.452 42 V N 1.877 121.766 119.914 -0.042 0.000 2.332 42 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 42 V C 2.046 178.126 176.094 -0.025 0.000 1.055 42 V CA 1.993 64.262 62.300 -0.051 0.000 1.038 42 V CB -0.479 31.312 31.823 -0.052 0.000 0.651 42 V HN 0.256 nan 8.190 nan 0.000 0.450 43 E N -0.093 120.106 120.200 -0.003 0.000 2.106 43 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 43 E C 2.401 179.007 176.600 0.010 0.000 0.984 43 E CA 1.395 57.795 56.400 0.001 0.000 0.806 43 E CB -0.206 29.495 29.700 0.003 0.000 0.750 43 E HN 0.528 nan 8.360 nan 0.000 0.458 44 S N 1.191 116.921 115.700 0.051 0.000 2.368 44 S HA -0.112 4.357 4.470 -0.001 0.000 0.225 44 S C 2.036 176.681 174.600 0.075 0.000 1.030 44 S CA 0.781 59.026 58.200 0.075 0.000 0.999 44 S CB -0.171 63.141 63.200 0.187 0.000 0.844 44 S HN 0.179 nan 8.310 nan 0.000 0.459 45 L N 1.173 122.431 121.223 0.059 0.000 2.083 45 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 45 L C 2.561 179.329 176.870 -0.169 0.000 1.083 45 L CA 1.239 56.003 54.840 -0.127 0.000 0.752 45 L CB -0.353 41.516 42.059 -0.317 0.000 0.899 45 L HN 0.276 nan 8.230 nan 0.000 0.433 46 K N -0.270 120.080 120.400 -0.083 0.000 2.025 46 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 46 K C 2.236 178.827 176.600 -0.015 0.000 1.049 46 K CA 1.604 57.866 56.287 -0.042 0.000 0.933 46 K CB 0.064 32.552 32.500 -0.019 0.000 0.714 46 K HN 0.138 nan 8.250 nan 0.000 0.438 47 S N 1.169 116.861 115.700 -0.013 0.000 2.368 47 S HA -0.128 4.342 4.470 -0.001 0.000 0.225 47 S C 1.896 176.503 174.600 0.013 0.000 1.030 47 S CA 1.386 59.585 58.200 -0.000 0.000 0.999 47 S CB -0.264 62.924 63.200 -0.020 0.000 0.844 47 S HN 0.278 nan 8.310 nan 0.000 0.459 48 I N 1.207 121.768 120.570 -0.015 0.000 2.226 48 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 48 I C 2.738 178.868 176.117 0.022 0.000 1.100 48 I CA 1.243 62.542 61.300 -0.002 0.000 1.374 48 I CB -0.321 37.675 38.000 -0.008 0.000 1.057 48 I HN 0.227 nan 8.210 nan 0.000 0.413 49 R N 1.644 122.139 120.500 -0.008 0.000 2.083 49 R HA -0.205 4.134 4.340 -0.001 0.000 0.237 49 R C 2.273 178.604 176.300 0.052 0.000 1.137 49 R CA 1.695 57.818 56.100 0.039 0.000 0.951 49 R CB -0.086 30.272 30.300 0.096 0.000 0.851 49 R HN 0.247 nan 8.270 nan 0.000 0.434 50 K N -0.729 119.703 120.400 0.053 0.000 2.063 50 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 50 K C 2.052 178.681 176.600 0.048 0.000 1.048 50 K CA 1.823 58.139 56.287 0.048 0.000 0.928 50 K CB -0.386 32.143 32.500 0.048 0.000 0.713 50 K HN 0.258 nan 8.250 nan 0.000 0.442 51 Y N 1.626 121.905 120.300 -0.035 0.000 2.133 51 Y HA -0.163 4.386 4.550 -0.001 0.000 0.287 51 Y C 1.788 177.657 175.900 -0.052 0.000 1.134 51 Y CA 1.378 59.453 58.100 -0.042 0.000 1.133 51 Y CB -0.166 38.258 38.460 -0.059 0.000 0.987 51 Y HN -0.082 nan 8.280 nan 0.000 0.502 52 L N -0.341 120.862 121.223 -0.032 0.000 2.201 52 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 52 L C 2.082 178.911 176.870 -0.069 0.000 1.105 52 L CA 1.758 56.505 54.840 -0.154 0.000 0.775 52 L CB -0.863 40.987 42.059 -0.348 0.000 0.913 52 L HN 0.392 nan 8.230 nan 0.000 0.440 53 T N -5.067 109.473 114.554 -0.024 0.000 3.144 53 T HA 0.089 4.439 4.350 -0.001 0.000 0.249 53 T C 0.821 175.505 174.700 -0.026 0.000 1.089 53 T CA -0.236 61.875 62.100 0.019 0.000 0.989 53 T CB -0.053 68.849 68.868 0.057 0.000 0.992 53 T HN 0.003 nan 8.240 nan 0.000 0.540 54 S N 3.598 119.239 115.700 -0.099 0.000 3.065 54 S HA 0.199 4.668 4.470 -0.001 0.000 0.311 54 S C 0.494 175.040 174.600 -0.090 0.000 1.204 54 S CA -0.679 57.458 58.200 -0.104 0.000 1.040 54 S CB -0.444 62.653 63.200 -0.170 0.000 1.436 54 S HN 0.522 nan 8.310 nan 0.000 0.532 62 G N 2.049 110.862 108.800 0.021 0.000 2.395 62 G HA2 0.187 4.146 3.960 -0.001 0.000 0.214 62 G HA3 0.187 4.146 3.960 -0.001 0.000 0.214 62 G C 1.331 176.212 174.900 -0.032 0.000 1.177 62 G CA 0.798 45.908 45.100 0.017 0.000 0.794 62 G HN 0.550 nan 8.290 nan 0.000 0.532 63 I N 0.305 120.835 120.570 -0.066 0.000 2.493 63 I HA -0.080 4.089 4.170 -0.001 0.000 0.254 63 I C 2.921 178.894 176.117 -0.240 0.000 1.160 63 I CA 0.604 61.796 61.300 -0.180 0.000 1.445 63 I CB -0.192 37.737 38.000 -0.118 0.000 1.086 63 I HN 0.080 nan 8.210 nan 0.000 0.433 64 R N 0.815 121.275 120.500 -0.066 0.000 2.075 64 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 64 R C 1.771 178.062 176.300 -0.014 0.000 1.126 64 R CA 1.388 57.488 56.100 0.001 0.000 0.963 64 R CB -0.293 30.022 30.300 0.026 0.000 0.858 64 R HN 0.348 nan 8.270 nan 0.000 0.435 65 D N 0.269 120.664 120.400 -0.007 0.000 2.149 65 D HA -0.086 4.553 4.640 -0.001 0.000 0.201 65 D C 2.000 178.288 176.300 -0.021 0.000 0.972 65 D CA 0.881 54.879 54.000 -0.004 0.000 0.835 65 D CB -0.123 40.722 40.800 0.074 0.000 0.966 65 D HN -0.020 nan 8.370 nan 0.000 0.476 66 V N 1.479 121.353 119.914 -0.066 0.000 2.392 66 V HA -0.226 3.893 4.120 -0.001 0.000 0.249 66 V C 1.995 178.061 176.094 -0.047 0.000 1.059 66 V CA 1.517 63.774 62.300 -0.072 0.000 1.051 66 V CB -0.587 31.142 31.823 -0.157 0.000 0.658 66 V HN 0.297 nan 8.190 nan 0.000 0.455 67 H N -0.822 118.244 119.070 -0.007 0.000 2.559 67 H HA 0.117 4.673 4.556 -0.001 0.000 0.273 67 H C 1.940 177.239 175.328 -0.048 0.000 1.000 67 H CA 0.671 56.703 56.048 -0.028 0.000 1.195 67 H CB -0.057 29.680 29.762 -0.042 0.000 1.368 67 H HN 0.359 nan 8.280 nan 0.000 0.592 68 L N 0.342 121.589 121.223 0.040 0.000 2.591 68 L HA 0.050 4.389 4.340 -0.001 0.000 0.228 68 L C 1.067 178.085 176.870 0.247 0.000 1.133 68 L CA 0.045 54.853 54.840 -0.054 0.000 0.880 68 L CB 0.125 41.982 42.059 -0.336 0.000 1.033 68 L HN 0.134 nan 8.230 nan 0.000 0.450 69 E N 1.486 121.788 120.200 0.170 0.000 2.502 69 E HA 0.006 4.356 4.350 -0.001 0.000 0.261 69 E C -0.658 176.012 176.600 0.117 0.000 0.974 69 E CA 0.073 56.515 56.400 0.070 0.000 0.936 69 E CB 0.551 30.148 29.700 -0.171 0.000 0.926 69 E HN 0.225 nan 8.360 nan 0.000 0.459 70 L N 5.703 126.990 121.223 0.106 0.000 2.295 70 L HA 0.320 4.660 4.340 -0.001 0.000 0.281 70 L C 0.169 177.042 176.870 0.005 0.000 1.018 70 L CA -0.484 54.412 54.840 0.093 0.000 0.841 70 L CB 1.030 43.169 42.059 0.133 0.000 1.218 70 L HN 0.373 nan 8.230 nan 0.000 0.424 71 K N 1.443 121.841 120.400 -0.004 0.000 2.118 71 K HA 0.127 4.446 4.320 -0.001 0.000 0.264 71 K C -0.048 176.564 176.600 0.019 0.000 1.000 71 K CA -0.659 55.617 56.287 -0.018 0.000 0.929 71 K CB 0.721 33.210 32.500 -0.018 0.000 1.021 71 K HN 0.452 nan 8.250 nan 0.000 0.463 72 D N 1.590 122.002 120.400 0.020 0.000 2.802 72 D HA -0.177 4.463 4.640 -0.001 0.000 0.229 72 D C -0.734 175.614 176.300 0.079 0.000 1.203 72 D CA 0.655 54.684 54.000 0.048 0.000 0.712 72 D CB -0.748 40.072 40.800 0.033 0.000 0.973 72 D HN 0.454 nan 8.370 nan 0.000 0.407 73 L N -2.367 118.936 121.223 0.133 0.000 2.267 73 L HA 0.859 5.198 4.340 -0.001 0.000 0.264 73 L C -0.153 176.843 176.870 0.210 0.000 1.021 73 L CA -0.834 54.091 54.840 0.142 0.000 0.861 73 L CB 1.915 44.059 42.059 0.142 0.000 1.443 73 L HN -0.057 nan 8.230 nan 0.000 0.475 74 T N 2.148 116.802 114.554 0.167 0.000 2.841 74 T HA 0.716 5.065 4.350 -0.001 0.000 0.283 74 T C -1.088 173.680 174.700 0.112 0.000 1.000 74 T CA -0.297 61.899 62.100 0.160 0.000 0.977 74 T CB 1.661 70.593 68.868 0.105 0.000 0.979 74 T HN 0.517 nan 8.240 nan 0.000 0.446 75 L N 3.563 124.769 121.223 -0.027 0.000 2.505 75 L HA 0.541 4.881 4.340 -0.001 0.000 0.266 75 L C -0.563 176.114 176.870 -0.320 0.000 0.954 75 L CA -0.477 54.136 54.840 -0.379 0.000 0.852 75 L CB 0.570 42.201 42.059 -0.714 0.000 1.282 75 L HN 0.865 nan 8.230 nan 0.000 0.403 76 F N 4.924 124.729 119.950 -0.241 0.000 3.067 76 F HA -0.180 4.346 4.527 -0.001 0.000 0.279 76 F C 1.565 177.345 175.800 -0.034 0.000 0.945 76 F CA 0.921 58.760 58.000 -0.269 0.000 0.948 76 F CB -1.351 37.199 39.000 -0.750 0.000 0.898 76 F HN 1.029 nan 8.300 nan 0.000 0.746 77 G N 0.270 109.161 108.800 0.152 0.000 2.160 77 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.251 77 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.251 77 G C 0.093 175.115 174.900 0.203 0.000 1.008 77 G CA 0.291 45.486 45.100 0.158 0.000 0.724 77 G HN 0.566 nan 8.290 nan 0.000 0.514 78 R N -0.926 119.724 120.500 0.250 0.000 2.795 78 R HA 0.590 4.930 4.340 -0.001 0.000 0.275 78 R C -0.327 176.198 176.300 0.375 0.000 0.981 78 R CA -1.134 55.155 56.100 0.315 0.000 0.917 78 R CB 1.282 31.841 30.300 0.432 0.000 1.202 78 R HN 0.046 nan 8.270 nan 0.000 0.469 79 R N 0.679 121.380 120.500 0.334 0.000 2.297 79 R HA 0.603 4.942 4.340 -0.001 0.000 0.308 79 R C -0.019 176.463 176.300 0.304 0.000 1.029 79 R CA -0.215 56.062 56.100 0.295 0.000 0.929 79 R CB 1.660 32.053 30.300 0.154 0.000 1.046 79 R HN 0.947 nan 8.270 nan 0.000 0.461 80 G N 1.738 110.685 108.800 0.245 0.000 2.428 80 G HA2 0.146 4.105 3.960 -0.001 0.000 0.304 80 G HA3 0.146 4.105 3.960 -0.001 0.000 0.304 80 G C -1.588 173.203 174.900 -0.182 0.000 1.303 80 G CA -0.744 44.195 45.100 -0.268 0.000 0.825 80 G HN 0.441 nan 8.290 nan 0.000 0.484 81 N N -0.467 118.005 118.700 -0.380 0.000 2.319 81 N HA 0.595 5.334 4.740 -0.001 0.000 0.305 81 N C -1.378 174.023 175.510 -0.183 0.000 1.103 81 N CA -0.512 52.422 53.050 -0.192 0.000 0.815 81 N CB 2.538 40.900 38.487 -0.207 0.000 1.288 81 N HN 0.414 nan 8.380 nan 0.000 0.493 82 L N 2.285 123.429 121.223 -0.132 0.000 2.272 82 L HA 0.328 4.668 4.340 -0.001 0.000 0.289 82 L C -0.253 176.220 176.870 -0.662 0.000 1.032 82 L CA -0.284 54.424 54.840 -0.219 0.000 0.810 82 L CB 0.217 42.230 42.059 -0.076 0.000 1.205 82 L HN 0.463 nan 8.230 nan 0.000 0.422 83 H N 4.583 123.132 119.070 -0.869 0.000 2.567 83 H HA 0.477 5.032 4.556 -0.001 0.000 0.345 83 H C -1.310 173.296 175.328 -1.204 0.000 1.169 83 H CA -0.281 55.192 56.048 -0.958 0.000 1.227 83 H CB 1.570 30.553 29.762 -1.298 0.000 1.607 83 H HN 0.423 nan 8.280 nan 0.000 0.534 84 F N 2.147 121.925 119.950 -0.288 0.000 2.562 84 F HA 0.376 4.902 4.527 -0.002 0.000 0.319 84 F C 0.167 175.833 175.800 -0.223 0.000 1.154 84 F CA -0.746 56.988 58.000 -0.443 0.000 0.931 84 F CB 1.350 39.700 39.000 -1.084 0.000 1.198 84 F HN 0.346 nan 8.300 nan 0.000 0.444 85 I N 0.785 121.494 120.570 0.232 0.000 3.095 85 I HA 0.838 5.007 4.170 -0.001 0.000 0.310 85 I C -1.362 175.005 176.117 0.416 0.000 1.196 85 I CA -1.276 60.219 61.300 0.324 0.000 0.985 85 I CB 2.944 41.137 38.000 0.322 0.000 1.250 85 I HN 0.686 nan 8.210 nan 0.000 0.446 86 R N 2.498 123.185 120.500 0.312 0.000 2.725 86 R HA 0.808 5.148 4.340 -0.001 0.000 0.277 86 R C -2.022 174.386 176.300 0.181 0.000 0.987 86 R CA -0.577 55.599 56.100 0.127 0.000 0.901 86 R CB 2.117 32.454 30.300 0.062 0.000 1.207 86 R HN 0.816 nan 8.270 nan 0.000 0.463 87 F N -2.084 117.856 119.950 -0.017 0.000 2.713 87 F HA 0.660 5.186 4.527 -0.001 0.000 0.311 87 F C -3.059 172.720 175.800 -0.035 0.000 1.141 87 F CA -3.138 54.845 58.000 -0.028 0.000 0.939 87 F CB 0.859 39.836 39.000 -0.038 0.000 1.325 87 F HN 0.332 nan 8.300 nan 0.000 0.453 88 P HA 0.118 nan 4.420 nan 0.000 0.266 88 P C 0.845 178.206 177.300 0.101 0.000 1.195 88 P CA 0.338 63.488 63.100 0.083 0.000 0.768 88 P CB 0.944 32.711 31.700 0.111 0.000 0.838 89 T N -0.464 114.089 114.554 -0.002 0.000 2.881 89 T HA -0.240 4.109 4.350 -0.001 0.000 0.270 89 T C 1.667 176.452 174.700 0.142 0.000 1.068 89 T CA 1.092 63.193 62.100 0.001 0.000 1.131 89 T CB -0.721 68.139 68.868 -0.012 0.000 0.871 89 T HN 0.301 nan 8.240 nan 0.000 0.479 90 Q N 1.814 121.705 119.800 0.152 0.000 2.297 90 Q HA -0.143 4.197 4.340 -0.001 0.000 0.208 90 Q C 1.198 177.329 176.000 0.218 0.000 0.981 90 Q CA 1.670 57.579 55.803 0.176 0.000 0.876 90 Q CB -0.513 28.304 28.738 0.132 0.000 0.921 90 Q HN 0.574 nan 8.270 nan 0.000 0.446 91 D N -0.924 119.634 120.400 0.262 0.000 2.398 91 D HA -0.001 4.638 4.640 -0.001 0.000 0.210 91 D C 1.178 177.666 176.300 0.313 0.000 1.094 91 D CA -0.078 54.087 54.000 0.274 0.000 0.839 91 D CB 0.343 41.289 40.800 0.242 0.000 0.963 91 D HN 0.237 nan 8.370 nan 0.000 0.506 92 L N 1.834 123.271 121.223 0.357 0.000 2.046 92 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 92 L C -0.951 176.127 176.870 0.348 0.000 1.077 92 L CA 2.083 57.110 54.840 0.311 0.000 0.747 92 L CB -1.170 40.798 42.059 -0.151 0.000 0.896 92 L HN -0.085 nan 8.230 nan 0.000 0.432 93 P HA -0.104 nan 4.420 nan 0.000 0.217 93 P C 1.613 179.085 177.300 0.286 0.000 1.150 93 P CA 1.639 65.023 63.100 0.472 0.000 0.832 93 P CB -0.098 31.872 31.700 0.451 0.000 0.787 94 T N -0.830 113.853 114.554 0.215 0.000 2.746 94 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 94 T C 1.423 176.145 174.700 0.037 0.000 1.039 94 T CA 1.088 63.247 62.100 0.098 0.000 1.142 94 T CB -1.018 67.917 68.868 0.112 0.000 0.866 94 T HN 0.038 nan 8.240 nan 0.000 0.444 95 F N 1.680 121.587 119.950 -0.072 0.000 2.126 95 F HA -0.055 4.472 4.527 -0.001 0.000 0.299 95 F C 1.905 177.651 175.800 -0.090 0.000 1.096 95 F CA 0.938 58.839 58.000 -0.166 0.000 1.255 95 F CB -0.493 38.363 39.000 -0.240 0.000 0.997 95 F HN 0.115 nan 8.300 nan 0.000 0.479 96 I N -0.115 120.397 120.570 -0.097 0.000 2.202 96 I HA -0.281 3.888 4.170 -0.001 0.000 0.242 96 I C 2.422 178.459 176.117 -0.134 0.000 1.091 96 I CA 1.508 62.723 61.300 -0.141 0.000 1.368 96 I CB -0.601 37.426 38.000 0.045 0.000 1.058 96 I HN 0.194 nan 8.210 nan 0.000 0.410 97 Q N 0.957 120.734 119.800 -0.040 0.000 2.124 97 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 97 Q C 2.158 178.039 176.000 -0.199 0.000 0.977 97 Q CA 1.829 57.594 55.803 -0.063 0.000 0.850 97 Q CB -0.188 28.541 28.738 -0.015 0.000 0.901 97 Q HN 0.419 nan 8.270 nan 0.000 0.429 98 M N -1.251 118.178 119.600 -0.284 0.000 2.086 98 M HA -0.104 4.375 4.480 -0.001 0.000 0.261 98 M C 2.095 178.044 176.300 -0.586 0.000 1.067 98 M CA 1.694 56.761 55.300 -0.389 0.000 1.116 98 M CB -0.789 31.581 32.600 -0.383 0.000 1.348 98 M HN 0.406 nan 8.290 nan 0.000 0.407 99 G N 0.364 108.746 108.800 -0.696 0.000 2.476 99 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.218 99 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.218 99 G C 1.633 176.167 174.900 -0.610 0.000 1.164 99 G CA 0.921 45.478 45.100 -0.905 0.000 0.768 99 G HN 0.400 nan 8.290 nan 0.000 0.560 100 R N 0.152 120.474 120.500 -0.298 0.000 2.081 100 R HA -0.043 4.296 4.340 -0.001 0.000 0.235 100 R C 2.168 178.359 176.300 -0.182 0.000 1.131 100 R CA 1.383 57.391 56.100 -0.155 0.000 0.960 100 R CB -0.235 30.026 30.300 -0.065 0.000 0.856 100 R HN 0.242 nan 8.270 nan 0.000 0.436 101 D N 0.361 120.622 120.400 -0.232 0.000 2.183 101 D HA -0.084 4.556 4.640 -0.001 0.000 0.203 101 D C 1.203 177.367 176.300 -0.226 0.000 0.969 101 D CA 1.021 54.904 54.000 -0.194 0.000 0.842 101 D CB 0.078 40.766 40.800 -0.186 0.000 0.957 101 D HN -0.034 nan 8.370 nan 0.000 0.484 102 K N 0.941 121.109 120.400 -0.387 0.000 2.476 102 K HA 0.072 4.391 4.320 -0.001 0.000 0.196 102 K C 0.003 176.482 176.600 -0.201 0.000 1.025 102 K CA -0.156 55.906 56.287 -0.374 0.000 1.138 102 K CB -0.131 31.963 32.500 -0.678 0.000 0.860 102 K HN 0.050 nan 8.250 nan 0.000 0.515 103 N N 0.920 119.535 118.700 -0.142 0.000 2.754 103 N HA -0.183 4.557 4.740 -0.001 0.000 0.248 103 N C -0.848 174.784 175.510 0.202 0.000 1.093 103 N CA 0.603 53.664 53.050 0.018 0.000 0.699 103 N CB -1.488 37.021 38.487 0.036 0.000 1.016 103 N HN 0.077 nan 8.380 nan 0.000 0.552 104 F N 1.072 121.013 119.950 -0.014 0.000 2.456 104 F HA 0.121 4.647 4.527 -0.001 0.000 0.358 104 F C 2.117 177.925 175.800 0.013 0.000 1.095 104 F CA -1.054 56.951 58.000 0.009 0.000 1.216 104 F CB 0.689 39.721 39.000 0.053 0.000 1.125 104 F HN 0.030 nan 8.300 nan 0.000 0.549 105 S N -0.403 115.404 115.700 0.178 0.000 2.558 105 S HA -0.065 4.404 4.470 -0.001 0.000 0.217 105 S C 1.566 176.215 174.600 0.082 0.000 0.975 105 S CA 0.522 58.784 58.200 0.103 0.000 0.912 105 S CB -0.602 62.635 63.200 0.062 0.000 0.776 105 S HN 0.639 nan 8.310 nan 0.000 0.526 106 T N 3.255 117.851 114.554 0.071 0.000 2.635 106 T HA 0.008 4.358 4.350 -0.001 0.000 0.267 106 T C 0.963 175.701 174.700 0.063 0.000 1.040 106 T CA 1.097 63.177 62.100 -0.034 0.000 1.156 106 T CB -0.451 68.222 68.868 -0.326 0.000 0.863 106 T HN 0.385 nan 8.240 nan 0.000 0.430 107 L N 1.732 123.062 121.223 0.179 0.000 3.048 107 L HA 0.323 4.662 4.340 -0.001 0.000 0.234 107 L C 1.872 178.823 176.870 0.134 0.000 1.318 107 L CA -0.141 54.810 54.840 0.184 0.000 1.109 107 L CB 0.037 42.244 42.059 0.247 0.000 1.480 107 L HN 0.264 nan 8.230 nan 0.000 0.495 108 Q N 0.589 120.453 119.800 0.107 0.000 2.062 108 Q HA -0.121 4.218 4.340 -0.001 0.000 0.196 108 Q C 1.605 177.655 176.000 0.083 0.000 0.967 108 Q CA 2.172 58.027 55.803 0.086 0.000 0.832 108 Q CB 0.423 29.203 28.738 0.070 0.000 0.899 108 Q HN 0.636 nan 8.270 nan 0.000 0.442 109 T N -3.913 110.697 114.554 0.092 0.000 3.010 109 T HA 0.311 4.661 4.350 -0.001 0.000 0.253 109 T C 0.043 174.830 174.700 0.145 0.000 0.939 109 T CA -0.090 62.071 62.100 0.101 0.000 0.910 109 T CB 0.884 69.823 68.868 0.117 0.000 1.226 109 T HN 0.054 nan 8.240 nan 0.000 0.508 110 V N 1.212 121.215 119.914 0.148 0.000 3.007 110 V HA 0.829 4.948 4.120 -0.001 0.000 0.311 110 V C -2.051 174.146 176.094 0.173 0.000 1.120 110 V CA -1.300 61.110 62.300 0.183 0.000 0.980 110 V CB 2.227 34.141 31.823 0.151 0.000 1.033 110 V HN 0.496 nan 8.190 nan 0.000 0.429 111 L N 6.375 127.725 121.223 0.210 0.000 2.372 111 L HA 0.672 5.011 4.340 -0.001 0.000 0.274 111 L C -0.861 176.151 176.870 0.237 0.000 0.988 111 L CA 0.025 54.999 54.840 0.223 0.000 0.833 111 L CB 1.133 43.330 42.059 0.229 0.000 1.236 111 L HN 0.731 nan 8.230 nan 0.000 0.410 112 C N 5.472 124.903 119.300 0.219 0.000 2.203 112 C HA 0.906 5.365 4.460 -0.001 0.000 0.325 112 C C 0.665 175.763 174.990 0.180 0.000 1.156 112 C CA -0.333 58.824 59.018 0.231 0.000 1.597 112 C CB -1.018 26.856 27.740 0.223 0.000 2.148 112 C HN 0.940 nan 8.230 nan 0.000 0.472 113 A N 2.974 125.877 122.820 0.138 0.000 2.485 113 A HA 0.948 5.267 4.320 -0.001 0.000 0.292 113 A C -0.296 177.300 177.584 0.021 0.000 1.147 113 A CA -0.315 51.777 52.037 0.092 0.000 0.750 113 A CB 1.658 20.711 19.000 0.088 0.000 1.331 113 A HN 0.601 nan 8.150 nan 0.000 0.419 114 T N -1.411 113.144 114.554 0.002 0.000 2.762 114 T HA 0.783 5.133 4.350 -0.001 0.000 0.272 114 T C 0.080 174.740 174.700 -0.067 0.000 0.982 114 T CA 0.701 62.776 62.100 -0.042 0.000 1.013 114 T CB 1.258 70.121 68.868 -0.008 0.000 1.309 114 T HN 2.720 nan 8.240 nan 0.000 0.572 115 G N -0.872 107.881 108.800 -0.079 0.000 2.650 115 G HA2 0.208 4.167 3.960 -0.001 0.000 0.686 115 G HA3 0.208 4.167 3.960 -0.001 0.000 0.686 115 G C 0.662 175.502 174.900 -0.099 0.000 1.205 115 G CA 0.032 45.084 45.100 -0.080 0.000 0.781 115 G HN 1.230 nan 8.290 nan 0.000 0.648 116 G N -0.466 108.294 108.800 -0.066 0.000 2.484 116 G HA2 0.348 4.307 3.960 -0.001 0.000 0.218 116 G HA3 0.348 4.307 3.960 -0.001 0.000 0.218 116 G C 1.542 176.430 174.900 -0.019 0.000 1.130 116 G CA 1.480 46.553 45.100 -0.045 0.000 0.784 116 G HN 1.825 nan 8.290 nan 0.000 0.543 117 G N 0.040 108.829 108.800 -0.019 0.000 3.088 117 G HA2 0.351 4.311 3.960 -0.001 0.000 0.217 117 G HA3 0.351 4.311 3.960 -0.001 0.000 0.217 117 G C 1.647 176.591 174.900 0.074 0.000 1.159 117 G CA 1.041 46.161 45.100 0.033 0.000 0.760 117 G HN 0.456 nan 8.290 nan 0.000 0.550 118 A N 0.601 123.420 122.820 -0.002 0.000 1.908 118 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 118 A C 2.004 179.699 177.584 0.186 0.000 1.181 118 A CA 1.202 53.262 52.037 0.038 0.000 0.627 118 A CB -0.665 18.265 19.000 -0.118 0.000 0.818 118 A HN 0.492 nan 8.150 nan 0.000 0.445 119 Y N -0.639 119.737 120.300 0.126 0.000 2.242 119 Y HA -0.216 4.334 4.550 -0.001 0.000 0.291 119 Y C 2.561 178.533 175.900 0.121 0.000 1.137 119 Y CA 1.350 59.517 58.100 0.112 0.000 1.181 119 Y CB -0.031 38.474 38.460 0.075 0.000 0.989 119 Y HN 0.334 nan 8.280 nan 0.000 0.527 120 K N 0.649 121.223 120.400 0.290 0.000 2.063 120 K HA -0.232 4.087 4.320 -0.001 0.000 0.208 120 K C 1.763 178.504 176.600 0.234 0.000 1.048 120 K CA 1.541 57.956 56.287 0.214 0.000 0.928 120 K CB -0.708 31.899 32.500 0.177 0.000 0.713 120 K HN 0.234 nan 8.250 nan 0.000 0.442 121 F N 1.731 121.763 119.950 0.136 0.000 2.186 121 F HA -0.064 4.462 4.527 -0.001 0.000 0.299 121 F C 2.062 177.979 175.800 0.194 0.000 1.090 121 F CA 1.831 59.918 58.000 0.145 0.000 1.307 121 F CB -0.355 38.708 39.000 0.106 0.000 1.019 121 F HN 0.274 nan 8.300 nan 0.000 0.489 122 E N 0.484 120.755 120.200 0.118 0.000 2.085 122 E HA -0.276 4.074 4.350 -0.001 0.000 0.194 122 E C 2.072 178.679 176.600 0.012 0.000 0.994 122 E CA 1.807 58.246 56.400 0.065 0.000 0.801 122 E CB -0.064 29.762 29.700 0.211 0.000 0.743 122 E HN 0.491 nan 8.360 nan 0.000 0.453 123 K N 0.560 120.985 120.400 0.041 0.000 2.002 123 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 123 K C 2.025 178.614 176.600 -0.019 0.000 1.048 123 K CA 1.600 57.899 56.287 0.021 0.000 0.930 123 K CB -0.169 32.357 32.500 0.043 0.000 0.714 123 K HN 0.165 nan 8.250 nan 0.000 0.438 124 D N 0.471 120.854 120.400 -0.028 0.000 2.133 124 D HA -0.179 4.461 4.640 -0.001 0.000 0.195 124 D C 1.766 178.008 176.300 -0.095 0.000 0.997 124 D CA 1.186 55.165 54.000 -0.035 0.000 0.840 124 D CB -0.170 40.650 40.800 0.033 0.000 0.947 124 D HN 0.086 nan 8.370 nan 0.000 0.452 125 F N 1.587 121.273 119.950 -0.440 0.000 2.456 125 F HA 0.043 4.570 4.527 -0.001 0.000 0.298 125 F C 2.245 177.929 175.800 -0.193 0.000 1.104 125 F CA 0.527 58.285 58.000 -0.402 0.000 1.435 125 F CB 0.045 38.631 39.000 -0.689 0.000 1.078 125 F HN -0.245 nan 8.300 nan 0.000 0.546 126 R N -0.892 119.543 120.500 -0.109 0.000 2.200 126 R HA -0.112 4.228 4.340 -0.001 0.000 0.234 126 R C 1.408 177.606 176.300 -0.170 0.000 1.127 126 R CA 1.710 57.744 56.100 -0.110 0.000 0.989 126 R CB -0.557 29.722 30.300 -0.035 0.000 0.869 126 R HN 0.226 nan 8.270 nan 0.000 0.459 127 T N -0.461 113.984 114.554 -0.183 0.000 3.040 127 T HA 0.212 4.562 4.350 -0.001 0.000 0.250 127 T C 1.579 176.148 174.700 -0.220 0.000 1.058 127 T CA 0.305 62.311 62.100 -0.156 0.000 0.988 127 T CB 0.350 69.164 68.868 -0.091 0.000 0.993 127 T HN 0.135 nan 8.240 nan 0.000 0.519 128 I N 0.153 120.492 120.570 -0.385 0.000 3.790 128 I HA 0.402 4.571 4.170 -0.001 0.000 0.305 128 I C 1.355 177.083 176.117 -0.649 0.000 1.253 128 I CA -0.033 61.001 61.300 -0.443 0.000 1.355 128 I CB 0.660 38.439 38.000 -0.369 0.000 1.137 128 I HN 0.283 nan 8.210 nan 0.000 0.435 129 G N 0.318 108.509 108.800 -1.014 0.000 2.554 129 G HA2 0.303 4.262 3.960 -0.001 0.000 0.306 129 G HA3 0.303 4.262 3.960 -0.001 0.000 0.306 129 G C -1.646 172.981 174.900 -0.455 0.000 1.320 129 G CA -0.689 43.958 45.100 -0.755 0.000 0.800 129 G HN 0.049 nan 8.290 nan 0.000 0.481 130 N N -0.049 118.580 118.700 -0.118 0.000 2.511 130 N HA 0.559 5.299 4.740 -0.001 0.000 0.249 130 N C -1.562 174.018 175.510 0.116 0.000 0.971 130 N CA -0.336 52.701 53.050 -0.021 0.000 0.938 130 N CB 1.878 40.331 38.487 -0.056 0.000 1.131 130 N HN 0.340 nan 8.380 nan 0.000 0.505 131 L N 2.698 124.012 121.223 0.152 0.000 2.588 131 L HA 0.280 4.619 4.340 -0.001 0.000 0.263 131 L C -1.394 175.516 176.870 0.066 0.000 0.935 131 L CA -0.582 54.338 54.840 0.134 0.000 0.891 131 L CB 1.148 43.377 42.059 0.283 0.000 1.318 131 L HN 0.539 nan 8.230 nan 0.000 0.409 132 H N 4.475 123.651 119.070 0.176 0.000 2.610 132 H HA 0.422 4.978 4.556 -0.001 0.000 0.336 132 H C -0.655 174.784 175.328 0.185 0.000 1.087 132 H CA -0.307 55.839 56.048 0.163 0.000 1.405 132 H CB 1.911 31.751 29.762 0.130 0.000 1.460 132 H HN 0.541 nan 8.280 nan 0.000 0.538 133 L N 4.453 125.876 121.223 0.334 0.000 2.262 133 L HA 0.162 4.501 4.340 -0.001 0.000 0.288 133 L C -0.405 176.644 176.870 0.298 0.000 1.035 133 L CA -0.548 54.468 54.840 0.294 0.000 0.820 133 L CB 0.304 42.535 42.059 0.287 0.000 1.204 133 L HN 0.533 nan 8.230 nan 0.000 0.424 134 H N 3.407 122.578 119.070 0.168 0.000 2.818 134 H HA 0.352 4.908 4.556 -0.001 0.000 0.269 134 H C -0.439 174.957 175.328 0.113 0.000 1.277 134 H CA -0.598 55.528 56.048 0.130 0.000 1.290 134 H CB 0.262 30.084 29.762 0.100 0.000 1.479 134 H HN 0.559 nan 8.280 nan 0.000 0.507 135 K N 4.578 124.931 120.400 -0.077 0.000 2.447 135 K HA 0.144 4.464 4.320 -0.001 0.000 0.281 135 K C -1.044 175.432 176.600 -0.208 0.000 1.031 135 K CA 0.037 56.252 56.287 -0.121 0.000 1.019 135 K CB -0.019 32.420 32.500 -0.101 0.000 0.918 135 K HN 0.599 nan 8.250 nan 0.000 0.476 136 L N 3.271 124.420 121.223 -0.122 0.000 2.325 136 L HA 0.326 4.666 4.340 -0.001 0.000 0.278 136 L C 0.366 177.204 176.870 -0.054 0.000 1.023 136 L CA -0.992 53.803 54.840 -0.074 0.000 0.811 136 L CB 1.489 43.550 42.059 0.004 0.000 1.249 136 L HN 0.719 nan 8.230 nan 0.000 0.431 137 D N 1.618 122.006 120.400 -0.022 0.000 2.390 137 D HA -0.074 4.565 4.640 -0.001 0.000 0.249 137 D C 0.731 177.035 176.300 0.008 0.000 1.144 137 D CA -0.041 53.956 54.000 -0.005 0.000 0.880 137 D CB 1.668 42.483 40.800 0.026 0.000 1.182 137 D HN 0.638 nan 8.370 nan 0.000 0.451 138 E N 3.598 123.796 120.200 -0.003 0.000 2.110 138 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 138 E C 1.803 178.413 176.600 0.016 0.000 0.988 138 E CA 1.273 57.676 56.400 0.005 0.000 0.804 138 E CB -0.102 29.595 29.700 -0.005 0.000 0.745 138 E HN 0.647 nan 8.360 nan 0.000 0.458 139 L N 0.337 121.571 121.223 0.018 0.000 2.072 139 L HA -0.124 4.215 4.340 -0.001 0.000 0.205 139 L C 1.959 178.822 176.870 -0.011 0.000 1.079 139 L CA 1.230 56.073 54.840 0.004 0.000 0.752 139 L CB -0.409 41.665 42.059 0.026 0.000 0.906 139 L HN 0.137 nan 8.230 nan 0.000 0.436 140 D N -0.301 120.132 120.400 0.056 0.000 2.117 140 D HA -0.174 4.465 4.640 -0.001 0.000 0.197 140 D C 2.259 178.580 176.300 0.035 0.000 0.987 140 D CA 1.380 55.438 54.000 0.097 0.000 0.829 140 D CB -0.219 40.673 40.800 0.152 0.000 0.961 140 D HN 0.380 nan 8.370 nan 0.000 0.460 141 C N 0.626 119.951 119.300 0.042 0.000 2.446 141 C HA -0.080 4.379 4.460 -0.001 0.000 0.277 141 C C 2.680 177.699 174.990 0.048 0.000 1.275 141 C CA -0.090 58.962 59.018 0.057 0.000 1.727 141 C CB -0.980 26.802 27.740 0.070 0.000 2.010 141 C HN 0.325 nan 8.230 nan 0.000 0.486 142 L N 1.337 122.574 121.223 0.023 0.000 1.990 142 L HA -0.134 4.206 4.340 -0.001 0.000 0.213 142 L C 2.486 179.283 176.870 -0.121 0.000 1.072 142 L CA 2.142 56.988 54.840 0.010 0.000 0.755 142 L CB -1.040 41.011 42.059 -0.013 0.000 0.889 142 L HN 0.216 nan 8.230 nan 0.000 0.432 143 V N 0.054 119.837 119.914 -0.218 0.000 2.295 143 V HA -0.325 3.795 4.120 -0.001 0.000 0.246 143 V C 2.703 178.678 176.094 -0.198 0.000 1.049 143 V CA 2.286 64.382 62.300 -0.339 0.000 1.024 143 V CB -0.816 30.579 31.823 -0.714 0.000 0.648 143 V HN 0.574 nan 8.190 nan 0.000 0.447 144 K N 0.128 120.475 120.400 -0.089 0.000 2.026 144 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 144 K C 2.175 178.807 176.600 0.053 0.000 1.048 144 K CA 1.720 58.016 56.287 0.016 0.000 0.929 144 K CB -0.639 31.895 32.500 0.057 0.000 0.713 144 K HN 0.491 nan 8.250 nan 0.000 0.439 145 G N 1.727 110.570 108.800 0.072 0.000 2.421 145 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.216 145 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.216 145 G C 1.490 176.463 174.900 0.122 0.000 1.171 145 G CA 0.829 46.049 45.100 0.199 0.000 0.775 145 G HN 0.359 nan 8.290 nan 0.000 0.543 146 L N 0.046 121.081 121.223 -0.313 0.000 2.042 146 L HA 0.001 4.341 4.340 -0.001 0.000 0.210 146 L C 2.799 179.464 176.870 -0.342 0.000 1.076 146 L CA 1.119 55.434 54.840 -0.876 0.000 0.749 146 L CB -0.178 41.249 42.059 -1.053 0.000 0.893 146 L HN 0.207 nan 8.230 nan 0.000 0.432 147 L N -1.313 119.799 121.223 -0.185 0.000 2.046 147 L HA -0.258 4.081 4.340 -0.001 0.000 0.208 147 L C 2.568 179.437 176.870 -0.002 0.000 1.077 147 L CA 1.524 56.312 54.840 -0.087 0.000 0.747 147 L CB -0.786 41.281 42.059 0.013 0.000 0.896 147 L HN 0.364 nan 8.230 nan 0.000 0.432 148 Y N 0.647 120.928 120.300 -0.032 0.000 2.163 148 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 148 Y C 2.511 178.413 175.900 0.003 0.000 1.136 148 Y CA 1.381 59.473 58.100 -0.013 0.000 1.147 148 Y CB -0.008 38.442 38.460 -0.017 0.000 0.987 148 Y HN -0.048 nan 8.280 nan 0.000 0.509 149 I N 0.697 121.278 120.570 0.018 0.000 2.208 149 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 149 I C 2.148 178.200 176.117 -0.108 0.000 1.097 149 I CA 2.013 63.293 61.300 -0.034 0.000 1.363 149 I CB -1.379 36.769 38.000 0.247 0.000 1.051 149 I HN 0.337 nan 8.210 nan 0.000 0.413 150 D N 0.773 121.128 120.400 -0.075 0.000 2.144 150 D HA -0.156 4.484 4.640 -0.001 0.000 0.200 150 D C 2.308 178.537 176.300 -0.117 0.000 0.978 150 D CA 1.579 55.535 54.000 -0.073 0.000 0.833 150 D CB 0.112 40.853 40.800 -0.097 0.000 0.961 150 D HN 0.342 nan 8.370 nan 0.000 0.470 151 S N -0.554 115.042 115.700 -0.175 0.000 2.419 151 S HA -0.146 4.323 4.470 -0.001 0.000 0.233 151 S C 2.049 176.529 174.600 -0.199 0.000 1.016 151 S CA 1.561 59.658 58.200 -0.171 0.000 0.974 151 S CB -0.552 62.544 63.200 -0.173 0.000 0.786 151 S HN 0.240 nan 8.310 nan 0.000 0.492 152 V N -0.968 118.773 119.914 -0.289 0.000 3.565 152 V HA 0.257 4.376 4.120 -0.001 0.000 0.260 152 V C 0.912 176.936 176.094 -0.116 0.000 1.231 152 V CA 0.069 62.236 62.300 -0.223 0.000 1.100 152 V CB -1.294 30.333 31.823 -0.326 0.000 0.807 152 V HN 0.910 nan 8.190 nan 0.000 0.454 158 A N 0.510 123.362 122.820 0.054 0.000 2.366 158 A HA 0.317 4.636 4.320 -0.001 0.000 0.272 158 A C 0.519 178.189 177.584 0.142 0.000 1.135 158 A CA 0.309 52.400 52.037 0.090 0.000 0.804 158 A CB 0.771 19.831 19.000 0.100 0.000 1.064 158 A HN 0.759 nan 8.150 nan 0.000 0.499 159 E N 1.456 121.752 120.200 0.160 0.000 2.158 159 E HA -0.065 4.285 4.350 -0.001 0.000 0.191 159 E C 0.419 177.184 176.600 0.276 0.000 0.982 159 E CA 0.917 57.452 56.400 0.225 0.000 0.823 159 E CB 0.028 29.844 29.700 0.193 0.000 0.766 159 E HN 0.633 nan 8.360 nan 0.000 0.468 160 C N 1.154 120.601 119.300 0.245 0.000 2.341 160 C HA 0.710 5.169 4.460 -0.001 0.000 0.338 160 C C -0.899 174.306 174.990 0.358 0.000 1.257 160 C CA -0.576 58.590 59.018 0.246 0.000 1.883 160 C CB -0.869 27.008 27.740 0.227 0.000 2.334 160 C HN 0.430 nan 8.230 nan 0.000 0.524 161 Y N 3.762 124.188 120.300 0.211 0.000 2.644 161 Y HA 0.838 5.388 4.550 -0.001 0.000 0.338 161 Y C -0.996 175.039 175.900 0.225 0.000 1.119 161 Y CA -1.303 56.895 58.100 0.162 0.000 1.060 161 Y CB 0.826 39.264 38.460 -0.037 0.000 1.294 161 Y HN 0.791 nan 8.280 nan 0.000 0.472 162 Y N -1.170 119.238 120.300 0.181 0.000 2.689 162 Y HA 0.792 5.341 4.550 -0.001 0.000 0.333 162 Y C -2.369 173.528 175.900 -0.004 0.000 1.190 162 Y CA -2.666 55.512 58.100 0.129 0.000 1.063 162 Y CB 1.332 39.829 38.460 0.061 0.000 1.294 162 Y HN 0.507 nan 8.280 nan 0.000 0.466 163 F N 1.992 122.117 119.950 0.291 0.000 2.388 163 F HA 0.764 5.291 4.527 -0.000 0.000 0.358 163 F C 0.510 176.418 175.800 0.180 0.000 1.122 163 F CA -0.647 57.412 58.000 0.098 0.000 1.056 163 F CB 1.486 40.563 39.000 0.129 0.000 1.155 163 F HN 0.815 nan 8.300 nan 0.000 0.461 164 A N 3.010 125.906 122.820 0.126 0.000 2.351 164 A HA 0.266 4.585 4.320 -0.001 0.000 0.257 164 A C 0.939 178.650 177.584 0.213 0.000 1.087 164 A CA -0.148 52.041 52.037 0.254 0.000 0.798 164 A CB -0.031 19.041 19.000 0.120 0.000 1.033 164 A HN 1.037 nan 8.150 nan 0.000 0.488 165 N N -0.358 118.459 118.700 0.194 0.000 2.754 165 N HA -0.228 4.512 4.740 -0.001 0.000 0.248 165 N C 0.952 176.548 175.510 0.144 0.000 1.093 165 N CA 0.455 53.585 53.050 0.134 0.000 0.699 165 N CB -0.876 37.666 38.487 0.090 0.000 1.016 165 N HN 1.003 nan 8.380 nan 0.000 0.552 166 A N 0.180 123.116 122.820 0.194 0.000 2.024 166 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 166 A C 2.105 179.807 177.584 0.196 0.000 1.164 166 A CA 1.961 54.118 52.037 0.200 0.000 0.643 166 A CB -0.659 18.481 19.000 0.234 0.000 0.806 166 A HN 0.894 nan 8.150 nan 0.000 0.451 167 S N -0.494 115.294 115.700 0.147 0.000 2.537 167 S HA -0.053 4.416 4.470 -0.001 0.000 0.240 167 S C 0.372 175.071 174.600 0.165 0.000 0.981 167 S CA 0.825 59.117 58.200 0.153 0.000 0.948 167 S CB -0.225 63.005 63.200 0.051 0.000 0.759 167 S HN 0.638 nan 8.310 nan 0.000 0.531 168 E N 1.264 121.516 120.200 0.086 0.000 2.437 168 E HA 0.251 4.600 4.350 -0.001 0.000 0.238 168 E C -2.412 174.159 176.600 -0.048 0.000 0.969 168 E CA -2.192 54.197 56.400 -0.019 0.000 0.759 168 E CB 1.746 31.427 29.700 -0.032 0.000 1.283 168 E HN 0.154 nan 8.360 nan 0.000 0.416 169 P HA -0.201 nan 4.420 nan 0.000 0.216 169 P C 0.928 178.131 177.300 -0.162 0.000 1.150 169 P CA 1.042 64.033 63.100 -0.182 0.000 0.837 169 P CB 0.371 31.892 31.700 -0.299 0.000 0.786 170 E N -0.945 119.167 120.200 -0.146 0.000 2.478 170 E HA -0.042 4.307 4.350 -0.001 0.000 0.198 170 E C 1.335 177.887 176.600 -0.079 0.000 1.046 170 E CA 0.735 57.065 56.400 -0.117 0.000 0.870 170 E CB -0.059 29.572 29.700 -0.115 0.000 0.818 170 E HN 0.389 nan 8.360 nan 0.000 0.527 171 R N -0.431 120.034 120.500 -0.058 0.000 2.539 171 R HA 0.128 4.467 4.340 -0.001 0.000 0.342 171 R C 0.656 176.961 176.300 0.008 0.000 0.941 171 R CA 0.001 56.085 56.100 -0.027 0.000 1.146 171 R CB 0.162 30.446 30.300 -0.026 0.000 1.541 171 R HN 0.095 nan 8.270 nan 0.000 0.525 172 C N 1.294 120.606 119.300 0.020 0.000 2.702 172 C HA 0.216 4.675 4.460 -0.001 0.000 0.411 172 C C 0.221 175.300 174.990 0.149 0.000 1.286 172 C CA -0.521 58.556 59.018 0.098 0.000 1.979 172 C CB 0.029 27.836 27.740 0.112 0.000 2.728 172 C HN 0.335 nan 8.230 nan 0.000 0.652 173 Q N 0.907 120.801 119.800 0.156 0.000 2.340 173 Q HA 0.394 4.733 4.340 -0.001 0.000 0.268 173 Q C -0.634 175.344 176.000 -0.038 0.000 1.031 173 Q CA -0.534 55.315 55.803 0.076 0.000 0.804 173 Q CB 2.002 30.739 28.738 -0.001 0.000 1.286 173 Q HN 0.793 nan 8.270 nan 0.000 0.448 174 K N 2.957 123.264 120.400 -0.155 0.000 2.451 174 K HA 0.177 4.496 4.320 -0.001 0.000 0.280 174 K C -0.779 175.589 176.600 -0.387 0.000 1.020 174 K CA 0.448 56.435 56.287 -0.500 0.000 1.008 174 K CB 0.467 32.651 32.500 -0.526 0.000 0.917 174 K HN 0.497 nan 8.250 nan 0.000 0.478 175 M N 5.466 124.774 119.600 -0.488 0.000 2.484 175 M HA 0.352 4.831 4.480 -0.001 0.000 0.289 175 M C -2.530 173.653 176.300 -0.194 0.000 1.206 175 M CA -2.549 52.517 55.300 -0.390 0.000 0.892 175 M CB 1.792 34.043 32.600 -0.582 0.000 1.712 175 M HN 0.523 nan 8.290 nan 0.000 0.462 176 P HA 0.286 nan 4.420 nan 0.000 0.271 176 P C -1.302 176.201 177.300 0.339 0.000 1.218 176 P CA -0.021 63.169 63.100 0.150 0.000 0.780 176 P CB 0.738 32.483 31.700 0.075 0.000 0.901 177 F N 2.333 122.418 119.950 0.224 0.000 2.540 177 F HA 0.356 4.883 4.527 -0.001 0.000 0.317 177 F C -0.104 175.760 175.800 0.107 0.000 1.104 177 F CA -1.018 57.118 58.000 0.226 0.000 0.913 177 F CB 1.619 40.776 39.000 0.261 0.000 1.170 177 F HN 0.172 nan 8.300 nan 0.000 0.450 178 N N 5.725 124.109 118.700 -0.526 0.000 2.408 178 N HA 0.158 4.897 4.740 -0.001 0.000 0.257 178 N C -0.765 174.580 175.510 -0.274 0.000 1.064 178 N CA 0.087 52.948 53.050 -0.315 0.000 0.952 178 N CB 1.130 39.431 38.487 -0.310 0.000 1.093 178 N HN 0.831 nan 8.380 nan 0.000 0.490 179 L N 4.091 125.311 121.223 -0.006 0.000 3.288 179 L HA 0.325 4.665 4.340 -0.001 0.000 0.293 179 L C 0.798 177.657 176.870 -0.018 0.000 1.294 179 L CA -0.086 54.792 54.840 0.064 0.000 1.006 179 L CB 0.149 42.305 42.059 0.163 0.000 1.407 179 L HN 0.418 nan 8.230 nan 0.000 0.592 180 D N 0.174 120.549 120.400 -0.041 0.000 2.133 180 D HA -0.203 4.436 4.640 -0.001 0.000 0.192 180 D C 0.465 176.735 176.300 -0.050 0.000 1.001 180 D CA 1.458 55.431 54.000 -0.043 0.000 0.844 180 D CB 0.140 40.916 40.800 -0.040 0.000 0.944 180 D HN 0.428 nan 8.370 nan 0.000 0.447 181 D N -0.455 119.918 120.400 -0.046 0.000 2.392 181 D HA 0.185 4.824 4.640 -0.001 0.000 0.228 181 D C -1.964 174.273 176.300 -0.106 0.000 1.074 181 D CA -2.157 51.817 54.000 -0.042 0.000 0.838 181 D CB 2.136 42.943 40.800 0.010 0.000 1.067 181 D HN -0.173 nan 8.370 nan 0.000 0.511 182 P HA 0.017 nan 4.420 nan 0.000 0.207 182 P C -0.193 176.929 177.300 -0.297 0.000 1.212 182 P CA 0.324 63.187 63.100 -0.396 0.000 0.914 182 P CB -0.200 31.067 31.700 -0.722 0.000 0.750 183 Y N 1.552 121.846 120.300 -0.010 0.000 2.996 183 Y HA -0.089 4.460 4.550 -0.001 0.000 0.367 183 Y C -1.386 174.527 175.900 0.021 0.000 1.251 183 Y CA -1.685 56.417 58.100 0.004 0.000 1.614 183 Y CB -1.652 36.825 38.460 0.028 0.000 1.123 183 Y HN 0.194 nan 8.280 nan 0.000 0.571 184 P HA 0.402 nan 4.420 nan 0.000 0.279 184 P C -1.176 176.106 177.300 -0.029 0.000 1.252 184 P CA -0.472 62.689 63.100 0.103 0.000 0.811 184 P CB 2.074 33.846 31.700 0.121 0.000 1.035 185 L N 1.477 122.639 121.223 -0.102 0.000 2.455 185 L HA 0.480 4.820 4.340 -0.001 0.000 0.264 185 L C -1.572 175.187 176.870 -0.186 0.000 0.968 185 L CA -0.894 53.851 54.840 -0.158 0.000 0.827 185 L CB 2.051 43.985 42.059 -0.209 0.000 1.317 185 L HN 0.153 nan 8.230 nan 0.000 0.407 186 L N 5.202 126.306 121.223 -0.198 0.000 2.280 186 L HA 0.659 4.998 4.340 -0.001 0.000 0.287 186 L C -1.086 175.617 176.870 -0.279 0.000 1.023 186 L CA -0.211 54.498 54.840 -0.218 0.000 0.819 186 L CB 1.590 43.526 42.059 -0.205 0.000 1.212 186 L HN 0.396 nan 8.230 nan 0.000 0.420 187 V N 6.104 125.863 119.914 -0.258 0.000 2.347 187 V HA 0.376 4.495 4.120 -0.001 0.000 0.280 187 V C -0.259 175.667 176.094 -0.280 0.000 1.021 187 V CA -0.695 61.438 62.300 -0.279 0.000 0.847 187 V CB 1.625 33.307 31.823 -0.236 0.000 0.990 187 V HN 0.436 nan 8.190 nan 0.000 0.444 188 V N 4.763 124.441 119.914 -0.393 0.000 2.304 188 V HA 0.308 4.427 4.120 -0.001 0.000 0.269 188 V C 0.165 176.173 176.094 -0.144 0.000 1.036 188 V CA -0.532 61.562 62.300 -0.344 0.000 0.840 188 V CB 1.108 32.515 31.823 -0.692 0.000 1.036 188 V HN 0.882 nan 8.190 nan 0.000 0.466 189 N N 5.122 123.781 118.700 -0.067 0.000 2.439 189 N HA 0.433 5.173 4.740 -0.001 0.000 0.249 189 N C -0.716 174.818 175.510 0.041 0.000 1.003 189 N CA -0.261 52.795 53.050 0.010 0.000 0.942 189 N CB 0.714 39.198 38.487 -0.006 0.000 1.115 189 N HN 0.615 nan 8.380 nan 0.000 0.505 190 I N 2.987 123.623 120.570 0.110 0.000 2.337 190 I HA 0.419 4.589 4.170 -0.001 0.000 0.285 190 I C 1.076 177.245 176.117 0.088 0.000 1.041 190 I CA -0.485 60.867 61.300 0.086 0.000 1.199 190 I CB 1.189 39.281 38.000 0.154 0.000 1.370 190 I HN 0.561 nan 8.210 nan 0.000 0.470 191 G N 2.697 111.507 108.800 0.017 0.000 3.341 191 G HA2 0.160 4.119 3.960 -0.001 0.000 0.177 191 G HA3 0.160 4.119 3.960 -0.001 0.000 0.177 191 G C 0.996 175.870 174.900 -0.044 0.000 1.236 191 G CA 0.439 45.543 45.100 0.006 0.000 0.888 191 G HN 0.485 nan 8.290 nan 0.000 0.644 192 S N -0.911 114.762 115.700 -0.045 0.000 2.382 192 S HA 0.243 4.713 4.470 -0.001 0.000 0.228 192 S C 1.230 175.795 174.600 -0.058 0.000 1.027 192 S CA 1.234 59.402 58.200 -0.053 0.000 0.991 192 S CB -0.457 62.721 63.200 -0.037 0.000 0.823 192 S HN 1.027 nan 8.310 nan 0.000 0.469 193 G N -0.202 108.569 108.800 -0.048 0.000 3.013 193 G HA2 0.622 4.581 3.960 -0.001 0.000 0.278 193 G HA3 0.622 4.581 3.960 -0.001 0.000 0.278 193 G C -1.568 173.304 174.900 -0.048 0.000 1.353 193 G CA -0.683 44.389 45.100 -0.047 0.000 1.043 193 G HN 0.278 nan 8.290 nan 0.000 0.523 194 V N 0.140 120.029 119.914 -0.042 0.000 2.495 194 V HA 0.643 4.763 4.120 -0.001 0.000 0.298 194 V C -0.163 175.914 176.094 -0.028 0.000 1.031 194 V CA -0.641 61.639 62.300 -0.033 0.000 0.871 194 V CB 1.572 33.374 31.823 -0.034 0.000 0.988 194 V HN 0.621 nan 8.190 nan 0.000 0.432 195 S N 4.869 120.553 115.700 -0.028 0.000 2.519 195 S HA 0.702 5.171 4.470 -0.001 0.000 0.309 195 S C -0.553 174.015 174.600 -0.054 0.000 1.100 195 S CA -0.393 57.788 58.200 -0.031 0.000 1.059 195 S CB 1.084 64.273 63.200 -0.019 0.000 1.008 195 S HN 0.549 nan 8.310 nan 0.000 0.478 196 I N 4.492 125.026 120.570 -0.059 0.000 2.362 196 I HA 0.416 4.585 4.170 -0.001 0.000 0.289 196 I C -0.774 175.301 176.117 -0.070 0.000 0.994 196 I CA -0.479 60.767 61.300 -0.090 0.000 1.158 196 I CB 1.051 38.993 38.000 -0.096 0.000 1.315 196 I HN 0.299 nan 8.210 nan 0.000 0.451 197 L N 5.676 126.844 121.223 -0.091 0.000 2.334 197 L HA 0.761 5.100 4.340 -0.001 0.000 0.276 197 L C 0.063 176.877 176.870 -0.093 0.000 1.014 197 L CA -0.839 53.968 54.840 -0.055 0.000 0.815 197 L CB 1.918 43.943 42.059 -0.057 0.000 1.268 197 L HN 0.605 nan 8.230 nan 0.000 0.428 198 A N 3.018 125.797 122.820 -0.068 0.000 2.258 198 A HA 0.649 4.969 4.320 -0.001 0.000 0.316 198 A C -0.506 176.945 177.584 -0.221 0.000 1.279 198 A CA -0.449 51.480 52.037 -0.179 0.000 0.876 198 A CB 0.865 19.772 19.000 -0.155 0.000 1.170 198 A HN 0.416 nan 8.150 nan 0.000 0.520 199 V N 4.647 124.427 119.914 -0.225 0.000 2.333 199 V HA 0.236 4.356 4.120 -0.001 0.000 0.274 199 V C 0.626 176.676 176.094 -0.073 0.000 1.028 199 V CA -0.367 61.900 62.300 -0.055 0.000 0.851 199 V CB 0.384 32.205 31.823 -0.003 0.000 1.000 199 V HN 0.994 nan 8.190 nan 0.000 0.456 200 H N 2.399 121.590 119.070 0.203 0.000 2.486 200 H HA 0.213 4.769 4.556 -0.001 0.000 0.287 200 H C 1.010 176.353 175.328 0.026 0.000 1.010 200 H CA 0.971 57.102 56.048 0.140 0.000 1.324 200 H CB 1.089 30.880 29.762 0.048 0.000 1.446 200 H HN 0.708 nan 8.280 nan 0.000 0.537 201 S N -0.873 114.813 115.700 -0.023 0.000 2.615 201 S HA 0.207 4.676 4.470 -0.001 0.000 0.269 201 S C 0.768 175.172 174.600 -0.327 0.000 1.161 201 S CA -0.905 56.898 58.200 -0.661 0.000 0.817 201 S CB 3.049 66.035 63.200 -0.356 0.000 1.131 201 S HN 0.086 nan 8.310 nan 0.000 0.467 202 K N 0.170 120.320 120.400 -0.418 0.000 2.127 202 K HA -0.162 4.157 4.320 -0.001 0.000 0.208 202 K C -0.068 176.611 176.600 0.131 0.000 1.047 202 K CA 2.117 58.432 56.287 0.046 0.000 0.927 202 K CB -0.364 32.162 32.500 0.043 0.000 0.716 202 K HN 0.692 nan 8.250 nan 0.000 0.450 203 D N 0.066 120.494 120.400 0.047 0.000 2.559 203 D HA 0.041 4.681 4.640 -0.001 0.000 0.234 203 D C -0.732 175.563 176.300 -0.008 0.000 1.226 203 D CA 0.005 54.041 54.000 0.059 0.000 0.830 203 D CB 0.210 41.015 40.800 0.009 0.000 1.028 203 D HN 0.113 nan 8.370 nan 0.000 0.492 204 N N 1.326 120.055 118.700 0.050 0.000 2.571 204 N HA 0.151 4.890 4.740 -0.001 0.000 0.286 204 N C -1.736 173.849 175.510 0.126 0.000 1.138 204 N CA -0.516 52.525 53.050 -0.015 0.000 0.859 204 N CB 0.663 39.155 38.487 0.009 0.000 1.414 204 N HN -0.025 nan 8.380 nan 0.000 0.529 205 Y N -0.090 120.242 120.300 0.054 0.000 2.638 205 Y HA 0.687 5.237 4.550 -0.001 0.000 0.335 205 Y C -1.346 174.570 175.900 0.027 0.000 1.155 205 Y CA -1.031 57.087 58.100 0.030 0.000 1.046 205 Y CB 1.296 39.752 38.460 -0.007 0.000 1.303 205 Y HN 0.153 nan 8.280 nan 0.000 0.460 206 K N 0.966 121.474 120.400 0.179 0.000 2.532 206 K HA 0.407 4.726 4.320 -0.001 0.000 0.265 206 K C -1.575 175.089 176.600 0.106 0.000 0.948 206 K CA -1.172 55.174 56.287 0.098 0.000 0.842 206 K CB 3.088 35.617 32.500 0.049 0.000 1.392 206 K HN 0.779 nan 8.250 nan 0.000 0.436 207 R N 2.280 122.828 120.500 0.079 0.000 2.272 207 R HA 0.060 4.399 4.340 -0.001 0.000 0.334 207 R C 0.895 177.208 176.300 0.022 0.000 1.117 207 R CA -0.136 55.991 56.100 0.045 0.000 0.966 207 R CB 0.148 30.471 30.300 0.039 0.000 1.049 207 R HN 0.603 nan 8.270 nan 0.000 0.477 208 V N 0.661 120.582 119.914 0.011 0.000 2.548 208 V HA 0.070 4.189 4.120 -0.001 0.000 0.249 208 V C 0.981 177.070 176.094 -0.007 0.000 1.055 208 V CA 1.420 63.723 62.300 0.005 0.000 1.065 208 V CB -0.247 31.577 31.823 0.002 0.000 0.681 208 V HN 0.755 nan 8.190 nan 0.000 0.462 209 T N -2.447 112.097 114.554 -0.017 0.000 2.676 209 T HA 0.636 4.985 4.350 -0.001 0.000 0.299 209 T C -0.546 174.138 174.700 -0.027 0.000 1.657 209 T CA 0.270 62.357 62.100 -0.022 0.000 0.985 209 T CB 1.008 69.860 68.868 -0.028 0.000 1.926 209 T HN 1.198 nan 8.240 nan 0.000 0.456 210 G N -0.247 108.535 108.800 -0.030 0.000 2.340 210 G HA2 0.539 4.498 3.960 -0.001 0.000 0.299 210 G HA3 0.539 4.498 3.960 -0.001 0.000 0.299 210 G C -1.224 173.657 174.900 -0.030 0.000 1.291 210 G CA 0.515 45.596 45.100 -0.031 0.000 0.841 210 G HN 0.939 nan 8.290 nan 0.000 0.500 211 T N -1.696 112.840 114.554 -0.029 0.000 2.982 211 T HA 0.532 4.881 4.350 -0.001 0.000 0.321 211 T C 1.117 175.801 174.700 -0.027 0.000 1.229 211 T CA 0.744 62.828 62.100 -0.027 0.000 1.044 211 T CB 1.369 70.219 68.868 -0.029 0.000 1.184 211 T HN 1.599 nan 8.240 nan 0.000 0.477 212 S N 3.240 118.928 115.700 -0.021 0.000 2.603 212 S HA 0.195 4.664 4.470 -0.001 0.000 0.220 212 S C 0.572 175.160 174.600 -0.021 0.000 0.967 212 S CA -0.026 58.162 58.200 -0.020 0.000 0.920 212 S CB -0.488 62.704 63.200 -0.013 0.000 0.773 212 S HN 0.525 nan 8.310 nan 0.000 0.529 213 L N 2.673 123.884 121.223 -0.021 0.000 2.358 213 L HA 0.646 4.985 4.340 -0.001 0.000 0.274 213 L C 0.830 177.665 176.870 -0.057 0.000 1.136 213 L CA 0.130 54.961 54.840 -0.015 0.000 0.970 213 L CB 0.468 42.532 42.059 0.008 0.000 1.314 213 L HN 0.356 nan 8.230 nan 0.000 0.427 214 G N 0.031 108.779 108.800 -0.087 0.000 3.257 214 G HA2 0.456 4.415 3.960 -0.001 0.000 0.205 214 G HA3 0.456 4.415 3.960 -0.001 0.000 0.205 214 G C 0.851 175.594 174.900 -0.262 0.000 1.234 214 G CA 0.007 44.983 45.100 -0.207 0.000 0.918 214 G HN 0.374 nan 8.290 nan 0.000 0.602 215 G N -0.178 108.395 108.800 -0.378 0.000 2.442 215 G HA2 0.072 4.032 3.960 -0.001 0.000 0.219 215 G HA3 0.072 4.032 3.960 -0.001 0.000 0.219 215 G C 1.673 176.598 174.900 0.042 0.000 1.141 215 G CA 1.772 46.765 45.100 -0.178 0.000 0.763 215 G HN 1.022 nan 8.290 nan 0.000 0.554 216 G N 0.010 108.796 108.800 -0.023 0.000 2.422 216 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.218 216 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.218 216 G C 1.810 176.730 174.900 0.033 0.000 1.140 216 G CA 1.633 46.732 45.100 -0.002 0.000 0.775 216 G HN 0.389 nan 8.290 nan 0.000 0.545 217 T N 0.801 115.380 114.554 0.042 0.000 2.777 217 T HA -0.083 4.266 4.350 -0.001 0.000 0.266 217 T C 1.897 176.679 174.700 0.136 0.000 1.040 217 T CA 0.983 63.121 62.100 0.062 0.000 1.141 217 T CB -0.246 68.653 68.868 0.052 0.000 0.868 217 T HN 0.250 nan 8.240 nan 0.000 0.444 218 F N 2.102 122.099 119.950 0.077 0.000 2.075 218 F HA -0.024 4.502 4.527 -0.001 0.000 0.297 218 F C 1.977 177.896 175.800 0.198 0.000 1.113 218 F CA 0.805 58.916 58.000 0.185 0.000 1.218 218 F CB -0.810 38.398 39.000 0.347 0.000 0.984 218 F HN 0.030 nan 8.300 nan 0.000 0.472 219 L N 0.979 122.190 121.223 -0.021 0.000 2.017 219 L HA 0.057 4.397 4.340 -0.001 0.000 0.208 219 L C 2.502 179.300 176.870 -0.120 0.000 1.073 219 L CA 2.221 56.979 54.840 -0.136 0.000 0.745 219 L CB -1.688 40.417 42.059 0.077 0.000 0.894 219 L HN 0.273 nan 8.230 nan 0.000 0.432 220 G N -0.331 108.442 108.800 -0.047 0.000 2.491 220 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 220 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 220 G C 1.631 176.494 174.900 -0.061 0.000 1.180 220 G CA 1.238 46.314 45.100 -0.041 0.000 0.774 220 G HN 0.440 nan 8.290 nan 0.000 0.562 221 L N -0.250 120.937 121.223 -0.060 0.000 2.093 221 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 221 L C 3.054 179.873 176.870 -0.085 0.000 1.085 221 L CA 0.476 55.277 54.840 -0.065 0.000 0.755 221 L CB -0.406 41.635 42.059 -0.031 0.000 0.904 221 L HN 0.276 nan 8.230 nan 0.000 0.435 222 C N -0.827 118.374 119.300 -0.166 0.000 2.429 222 C HA -0.148 4.311 4.460 -0.001 0.000 0.277 222 C C 3.117 178.040 174.990 -0.111 0.000 1.262 222 C CA 1.237 60.144 59.018 -0.185 0.000 1.733 222 C CB -0.600 26.882 27.740 -0.431 0.000 2.010 222 C HN 0.505 nan 8.230 nan 0.000 0.483 223 S N 0.863 116.501 115.700 -0.104 0.000 2.382 223 S HA -0.096 4.374 4.470 -0.001 0.000 0.228 223 S C 1.662 176.236 174.600 -0.044 0.000 1.027 223 S CA 1.231 59.396 58.200 -0.059 0.000 0.991 223 S CB -0.316 62.858 63.200 -0.044 0.000 0.823 223 S HN 0.567 nan 8.310 nan 0.000 0.469 224 L N 0.442 121.635 121.223 -0.049 0.000 2.131 224 L HA 0.048 4.387 4.340 -0.001 0.000 0.206 224 L C 2.017 178.865 176.870 -0.037 0.000 1.087 224 L CA 0.899 55.714 54.840 -0.042 0.000 0.767 224 L CB -0.296 41.732 42.059 -0.052 0.000 0.917 224 L HN 0.280 nan 8.230 nan 0.000 0.441 225 L N -1.302 119.899 121.223 -0.036 0.000 2.249 225 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 225 L C 2.488 179.360 176.870 0.003 0.000 1.090 225 L CA 1.373 56.204 54.840 -0.014 0.000 0.802 225 L CB -0.450 41.611 42.059 0.004 0.000 0.947 225 L HN 0.364 nan 8.230 nan 0.000 0.453 226 T N -4.940 109.610 114.554 -0.006 0.000 3.018 226 T HA 0.273 4.622 4.350 -0.001 0.000 0.246 226 T C 1.462 176.158 174.700 -0.007 0.000 1.026 226 T CA 0.638 62.737 62.100 -0.000 0.000 1.081 226 T CB 0.862 69.729 68.868 -0.001 0.000 0.970 226 T HN 0.327 nan 8.240 nan 0.000 0.475 227 G N 1.309 110.100 108.800 -0.016 0.000 2.159 227 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.227 227 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.227 227 G C 0.463 175.356 174.900 -0.012 0.000 0.986 227 G CA -0.101 44.992 45.100 -0.013 0.000 0.651 227 G HN 1.273 nan 8.290 nan 0.000 0.523 228 C N -0.630 118.659 119.300 -0.019 0.000 2.758 228 C HA 0.693 5.153 4.460 -0.001 0.000 0.371 228 C C 1.315 176.301 174.990 -0.007 0.000 1.342 228 C CA 0.420 59.430 59.018 -0.013 0.000 2.257 228 C CB 0.823 28.549 27.740 -0.024 0.000 2.621 228 C HN 0.500 nan 8.230 nan 0.000 0.730 229 E N -0.028 120.176 120.200 0.007 0.000 2.641 229 E HA 0.171 4.521 4.350 -0.001 0.000 0.224 229 E C 0.220 176.841 176.600 0.036 0.000 0.951 229 E CA 0.281 56.690 56.400 0.015 0.000 1.102 229 E CB 0.654 30.362 29.700 0.013 0.000 1.091 229 E HN 0.888 nan 8.360 nan 0.000 0.507 230 S N -1.076 114.654 115.700 0.051 0.000 2.607 230 S HA 0.275 4.744 4.470 -0.001 0.000 0.273 230 S C 0.086 174.786 174.600 0.166 0.000 1.148 230 S CA -0.796 57.464 58.200 0.100 0.000 0.833 230 S CB 1.090 64.340 63.200 0.083 0.000 1.130 230 S HN 0.014 nan 8.310 nan 0.000 0.470 231 F N 1.922 121.901 119.950 0.048 0.000 2.134 231 F HA 0.099 4.625 4.527 -0.001 0.000 0.299 231 F C 1.984 177.848 175.800 0.107 0.000 1.097 231 F CA 1.988 60.052 58.000 0.105 0.000 1.264 231 F CB -0.800 38.277 39.000 0.128 0.000 1.001 231 F HN 0.773 nan 8.300 nan 0.000 0.479 232 E N 0.329 120.549 120.200 0.034 0.000 2.085 232 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 232 E C 2.181 178.734 176.600 -0.078 0.000 0.994 232 E CA 1.692 58.036 56.400 -0.095 0.000 0.801 232 E CB -0.488 29.203 29.700 -0.016 0.000 0.743 232 E HN 0.629 nan 8.360 nan 0.000 0.453 233 E N 0.010 120.201 120.200 -0.015 0.000 2.106 233 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 233 E C 1.946 178.541 176.600 -0.009 0.000 0.984 233 E CA 0.911 57.304 56.400 -0.012 0.000 0.806 233 E CB -0.083 29.619 29.700 0.004 0.000 0.750 233 E HN 0.252 nan 8.360 nan 0.000 0.458 234 A N 1.148 123.970 122.820 0.003 0.000 1.877 234 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 234 A C 2.198 179.877 177.584 0.159 0.000 1.186 234 A CA 1.156 53.207 52.037 0.024 0.000 0.620 234 A CB -0.675 18.274 19.000 -0.086 0.000 0.822 234 A HN 0.318 nan 8.150 nan 0.000 0.443 235 L N -0.862 120.388 121.223 0.046 0.000 2.093 235 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 235 L C 2.731 179.561 176.870 -0.066 0.000 1.085 235 L CA 1.163 55.963 54.840 -0.066 0.000 0.755 235 L CB -0.544 41.295 42.059 -0.365 0.000 0.904 235 L HN 0.385 nan 8.230 nan 0.000 0.435 236 E N 0.186 120.346 120.200 -0.067 0.000 2.038 236 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 236 E C 2.261 178.844 176.600 -0.027 0.000 1.000 236 E CA 1.593 57.961 56.400 -0.055 0.000 0.803 236 E CB -0.186 29.487 29.700 -0.045 0.000 0.750 236 E HN 0.483 nan 8.360 nan 0.000 0.448 237 M N -0.007 119.593 119.600 0.000 0.000 2.080 237 M HA -0.190 4.289 4.480 -0.001 0.000 0.260 237 M C 2.453 178.770 176.300 0.027 0.000 1.068 237 M CA 1.748 57.057 55.300 0.016 0.000 1.109 237 M CB -0.423 32.194 32.600 0.030 0.000 1.342 237 M HN 0.054 nan 8.290 nan 0.000 0.405 238 A N 0.626 123.485 122.820 0.065 0.000 1.940 238 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 238 A C 2.289 179.861 177.584 -0.021 0.000 1.176 238 A CA 2.277 54.351 52.037 0.061 0.000 0.631 238 A CB -1.037 18.034 19.000 0.117 0.000 0.814 238 A HN 0.624 nan 8.150 nan 0.000 0.446 239 S N -0.134 115.536 115.700 -0.051 0.000 2.419 239 S HA -0.152 4.317 4.470 -0.001 0.000 0.233 239 S C 1.557 176.117 174.600 -0.067 0.000 1.016 239 S CA 1.568 59.719 58.200 -0.081 0.000 0.974 239 S CB -0.285 62.860 63.200 -0.093 0.000 0.786 239 S HN 0.664 nan 8.310 nan 0.000 0.492 240 K N 1.001 121.373 120.400 -0.046 0.000 2.353 240 K HA 0.284 4.604 4.320 -0.001 0.000 0.195 240 K C 1.093 177.673 176.600 -0.033 0.000 1.031 240 K CA 0.241 56.504 56.287 -0.040 0.000 1.079 240 K CB 0.412 32.894 32.500 -0.031 0.000 0.857 240 K HN 0.420 nan 8.250 nan 0.000 0.535 241 G N 0.974 109.759 108.800 -0.025 0.000 2.547 241 G HA2 0.112 4.071 3.960 -0.001 0.000 0.291 241 G HA3 0.112 4.071 3.960 -0.001 0.000 0.291 241 G C -1.276 173.602 174.900 -0.036 0.000 1.211 241 G CA -0.242 44.846 45.100 -0.019 0.000 0.950 241 G HN -0.001 nan 8.290 nan 0.000 0.504 242 D N -1.422 118.958 120.400 -0.033 0.000 2.462 242 D HA 0.296 4.935 4.640 -0.001 0.000 0.245 242 D C 1.492 177.761 176.300 -0.052 0.000 1.122 242 D CA -0.225 53.747 54.000 -0.047 0.000 0.864 242 D CB 1.436 42.213 40.800 -0.039 0.000 1.098 242 D HN 0.194 nan 8.370 nan 0.000 0.541 243 S N 1.596 117.253 115.700 -0.072 0.000 2.419 243 S HA -0.197 4.272 4.470 -0.001 0.000 0.233 243 S C 1.777 176.320 174.600 -0.095 0.000 1.016 243 S CA 1.410 59.550 58.200 -0.100 0.000 0.974 243 S CB -0.771 62.362 63.200 -0.112 0.000 0.786 243 S HN 0.554 nan 8.310 nan 0.000 0.492 244 T N -1.157 113.361 114.554 -0.060 0.000 3.155 244 T HA 0.053 4.403 4.350 -0.001 0.000 0.264 244 T C 1.558 176.244 174.700 -0.023 0.000 1.160 244 T CA 0.489 62.569 62.100 -0.034 0.000 1.075 244 T CB -0.335 68.525 68.868 -0.013 0.000 0.921 244 T HN 0.278 nan 8.240 nan 0.000 0.533 245 Q N 0.087 119.870 119.800 -0.028 0.000 2.398 245 Q HA 0.394 4.733 4.340 -0.001 0.000 0.204 245 Q C 2.201 178.204 176.000 0.005 0.000 0.932 245 Q CA 1.074 56.874 55.803 -0.006 0.000 0.916 245 Q CB 0.065 28.802 28.738 -0.002 0.000 1.024 245 Q HN 0.758 nan 8.270 nan 0.000 0.504 246 A N 0.108 122.906 122.820 -0.036 0.000 2.013 246 A HA 0.078 4.397 4.320 -0.001 0.000 0.204 246 A C 0.492 178.043 177.584 -0.056 0.000 1.262 246 A CA 0.020 52.038 52.037 -0.033 0.000 0.800 246 A CB 0.315 19.238 19.000 -0.128 0.000 0.909 246 A HN 0.104 nan 8.150 nan 0.000 0.472 247 D N 0.486 120.817 120.400 -0.116 0.000 2.329 247 D HA 0.322 4.962 4.640 -0.001 0.000 0.246 247 D C -0.200 176.103 176.300 0.006 0.000 1.111 247 D CA 0.105 54.061 54.000 -0.073 0.000 0.941 247 D CB 0.896 41.640 40.800 -0.094 0.000 1.169 247 D HN 0.280 nan 8.370 nan 0.000 0.441 248 K N 1.653 122.072 120.400 0.032 0.000 2.265 248 K HA 0.392 4.711 4.320 -0.001 0.000 0.267 248 K C -0.690 175.930 176.600 0.034 0.000 0.994 248 K CA -0.533 55.783 56.287 0.048 0.000 0.860 248 K CB 0.550 33.091 32.500 0.069 0.000 1.099 248 K HN 0.327 nan 8.250 nan 0.000 0.448 249 L N 3.628 124.870 121.223 0.031 0.000 2.387 249 L HA 0.269 4.609 4.340 -0.001 0.000 0.266 249 L C 1.663 178.552 176.870 0.033 0.000 1.059 249 L CA -0.946 53.916 54.840 0.037 0.000 0.801 249 L CB 1.300 43.392 42.059 0.055 0.000 1.223 249 L HN 0.474 nan 8.230 nan 0.000 0.456 250 V N 0.930 120.871 119.914 0.046 0.000 2.392 250 V HA -0.280 3.839 4.120 -0.001 0.000 0.249 250 V C 2.609 178.767 176.094 0.106 0.000 1.059 250 V CA 2.380 64.743 62.300 0.105 0.000 1.051 250 V CB -0.976 30.918 31.823 0.119 0.000 0.658 250 V HN 0.909 nan 8.190 nan 0.000 0.455 251 R N 0.576 121.121 120.500 0.074 0.000 2.127 251 R HA -0.190 4.150 4.340 -0.001 0.000 0.238 251 R C 1.581 177.893 176.300 0.020 0.000 1.134 251 R CA 2.060 58.201 56.100 0.068 0.000 0.975 251 R CB -0.781 29.560 30.300 0.069 0.000 0.865 251 R HN 0.418 nan 8.270 nan 0.000 0.447 252 D N 0.672 121.068 120.400 -0.007 0.000 2.310 252 D HA -0.019 4.621 4.640 -0.001 0.000 0.212 252 D C 1.880 178.113 176.300 -0.111 0.000 0.965 252 D CA 0.956 54.930 54.000 -0.042 0.000 0.879 252 D CB 0.079 40.865 40.800 -0.023 0.000 0.921 252 D HN 0.421 nan 8.370 nan 0.000 0.510 253 I N -1.046 119.408 120.570 -0.193 0.000 2.685 253 I HA -0.126 4.044 4.170 -0.001 0.000 0.251 253 I C 1.116 176.894 176.117 -0.565 0.000 1.102 253 I CA 0.478 61.506 61.300 -0.453 0.000 1.442 253 I CB 0.059 37.608 38.000 -0.751 0.000 1.194 253 I HN -0.120 nan 8.210 nan 0.000 0.448 254 Y N 1.147 121.391 120.300 -0.093 0.000 2.485 254 Y HA 0.392 4.941 4.550 -0.001 0.000 0.260 254 Y C 1.483 177.370 175.900 -0.023 0.000 1.173 254 Y CA -0.207 57.846 58.100 -0.079 0.000 1.252 254 Y CB -0.134 38.264 38.460 -0.103 0.000 1.123 254 Y HN 0.236 nan 8.280 nan 0.000 0.524 255 G N 0.666 109.502 108.800 0.059 0.000 2.371 255 G HA2 0.072 4.031 3.960 -0.001 0.000 0.299 255 G HA3 0.072 4.031 3.960 -0.001 0.000 0.299 255 G C 0.603 175.553 174.900 0.084 0.000 1.014 255 G CA 0.584 45.715 45.100 0.052 0.000 1.097 255 G HN 1.043 nan 8.290 nan 0.000 0.512 256 G N -0.899 107.964 108.800 0.105 0.000 2.278 256 G HA2 0.339 4.298 3.960 -0.001 0.000 0.265 256 G HA3 0.339 4.298 3.960 -0.001 0.000 0.265 256 G C -0.570 174.402 174.900 0.120 0.000 1.329 256 G CA -0.016 45.145 45.100 0.102 0.000 1.017 256 G HN 0.459 nan 8.290 nan 0.000 0.472 257 D N -0.512 119.941 120.400 0.088 0.000 2.361 257 D HA 0.373 5.012 4.640 -0.001 0.000 0.239 257 D C -0.527 175.841 176.300 0.113 0.000 1.200 257 D CA 0.572 54.609 54.000 0.062 0.000 0.915 257 D CB 0.993 41.804 40.800 0.019 0.000 1.170 257 D HN 0.340 nan 8.370 nan 0.000 0.444 258 Y N 1.020 121.241 120.300 -0.132 0.000 2.495 258 Y HA 0.118 4.667 4.550 -0.001 0.000 0.362 258 Y C 1.030 176.826 175.900 -0.172 0.000 0.956 258 Y CA -0.769 57.154 58.100 -0.295 0.000 1.127 258 Y CB -0.053 38.081 38.460 -0.544 0.000 1.173 258 Y HN 0.268 nan 8.280 nan 0.000 0.639 259 E N 1.503 121.629 120.200 -0.123 0.000 2.097 259 E HA -0.241 4.108 4.350 -0.001 0.000 0.196 259 E C 2.158 178.564 176.600 -0.325 0.000 1.000 259 E CA 1.803 58.094 56.400 -0.181 0.000 0.804 259 E CB -0.035 29.599 29.700 -0.110 0.000 0.740 259 E HN 0.628 nan 8.360 nan 0.000 0.454 260 R N -1.395 118.842 120.500 -0.439 0.000 2.185 260 R HA -0.155 4.185 4.340 -0.001 0.000 0.247 260 R C 0.454 176.157 176.300 -0.994 0.000 1.159 260 R CA 1.435 57.146 56.100 -0.648 0.000 0.988 260 R CB -0.191 29.734 30.300 -0.626 0.000 0.871 260 R HN 0.229 nan 8.270 nan 0.000 0.458 261 F N -0.913 118.666 119.950 -0.618 0.000 2.814 261 F HA 0.323 4.849 4.527 -0.001 0.000 0.326 261 F C 0.817 176.439 175.800 -0.298 0.000 1.159 261 F CA 0.072 57.808 58.000 -0.441 0.000 1.234 261 F CB 1.389 40.081 39.000 -0.514 0.000 1.016 261 F HN 0.098 nan 8.300 nan 0.000 0.510 262 G N 1.842 110.534 108.800 -0.181 0.000 2.356 262 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.296 262 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.296 262 G C -0.300 174.544 174.900 -0.094 0.000 1.022 262 G CA 0.013 45.040 45.100 -0.121 0.000 0.961 262 G HN 0.385 nan 8.290 nan 0.000 0.510 263 L N 1.494 122.662 121.223 -0.092 0.000 2.316 263 L HA 0.382 4.721 4.340 -0.001 0.000 0.280 263 L C -1.682 175.099 176.870 -0.148 0.000 1.006 263 L CA -2.282 52.513 54.840 -0.075 0.000 0.836 263 L CB 2.105 44.202 42.059 0.063 0.000 1.221 263 L HN -0.008 nan 8.230 nan 0.000 0.418 264 P HA 0.012 nan 4.420 nan 0.000 0.269 264 P C 0.780 177.801 177.300 -0.464 0.000 1.215 264 P CA -0.094 62.702 63.100 -0.507 0.000 0.780 264 P CB 1.216 32.281 31.700 -1.058 0.000 0.898 265 G N 1.973 110.633 108.800 -0.233 0.000 2.462 265 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.220 265 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.220 265 G C 1.171 176.051 174.900 -0.034 0.000 1.121 265 G CA 0.059 45.127 45.100 -0.054 0.000 0.758 265 G HN 0.745 nan 8.290 nan 0.000 0.559 266 W N 0.302 121.628 121.300 0.044 0.000 2.905 266 W HA 0.618 5.278 4.660 -0.001 0.000 0.251 266 W C 0.804 177.316 176.519 -0.011 0.000 1.305 266 W CA -0.495 56.860 57.345 0.016 0.000 1.465 266 W CB -0.741 28.726 29.460 0.012 0.000 1.122 266 W HN 0.241 nan 8.180 nan 0.000 0.659 267 A N 2.245 124.835 122.820 -0.383 0.000 2.483 267 A HA 0.315 4.635 4.320 -0.001 0.000 0.238 267 A C 0.117 177.655 177.584 -0.077 0.000 1.070 267 A CA -0.210 51.633 52.037 -0.323 0.000 0.770 267 A CB 0.522 19.248 19.000 -0.456 0.000 1.008 267 A HN 0.028 nan 8.150 nan 0.000 0.497 268 V N 2.367 122.254 119.914 -0.045 0.000 2.508 268 V HA 0.300 4.419 4.120 -0.001 0.000 0.281 268 V C 1.320 177.436 176.094 0.037 0.000 1.041 268 V CA 0.702 63.011 62.300 0.016 0.000 1.016 268 V CB 0.515 32.358 31.823 0.033 0.000 0.984 268 V HN 1.106 nan 8.190 nan 0.000 0.478 269 A N 4.064 126.913 122.820 0.049 0.000 1.924 269 A HA 0.248 4.567 4.320 -0.001 0.000 0.211 269 A C 1.199 178.828 177.584 0.076 0.000 1.198 269 A CA 0.845 52.924 52.037 0.069 0.000 0.657 269 A CB 0.213 19.246 19.000 0.056 0.000 0.852 269 A HN 0.752 nan 8.150 nan 0.000 0.454 270 S N 0.059 115.799 115.700 0.066 0.000 2.750 270 S HA 0.456 4.925 4.470 -0.001 0.000 0.276 270 S C -0.762 173.886 174.600 0.080 0.000 1.165 270 S CA -0.508 57.739 58.200 0.077 0.000 1.047 270 S CB 0.800 64.038 63.200 0.063 0.000 1.056 270 S HN 0.263 nan 8.310 nan 0.000 0.481 271 S N 3.540 119.303 115.700 0.104 0.000 2.544 271 S HA 0.285 4.754 4.470 -0.001 0.000 0.290 271 S C 0.272 174.998 174.600 0.210 0.000 1.276 271 S CA 0.171 58.425 58.200 0.090 0.000 1.075 271 S CB -0.600 62.703 63.200 0.173 0.000 0.849 271 S HN 0.858 nan 8.310 nan 0.000 0.494 272 F N 0.086 120.066 119.950 0.049 0.000 2.935 272 F HA -0.292 4.234 4.527 -0.001 0.000 0.317 272 F C 1.848 177.659 175.800 0.018 0.000 0.699 272 F CA 0.578 58.599 58.000 0.035 0.000 1.127 272 F CB -1.881 37.136 39.000 0.028 0.000 1.491 272 F HN 0.763 nan 8.300 nan 0.000 0.337 273 G N 0.036 108.920 108.800 0.140 0.000 2.469 273 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.219 273 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.219 273 G C 1.243 176.184 174.900 0.069 0.000 1.150 273 G CA 1.327 46.478 45.100 0.084 0.000 0.763 273 G HN 0.600 nan 8.290 nan 0.000 0.561 274 N N -0.176 118.601 118.700 0.129 0.000 2.512 274 N HA 0.027 4.766 4.740 -0.001 0.000 0.183 274 N C 1.654 177.275 175.510 0.184 0.000 1.073 274 N CA 0.009 53.201 53.050 0.236 0.000 0.911 274 N CB -0.040 38.566 38.487 0.198 0.000 0.964 274 N HN 0.178 nan 8.380 nan 0.000 0.447 275 M N 0.827 120.491 119.600 0.108 0.000 2.682 275 M HA 0.037 4.517 4.480 -0.001 0.000 0.235 275 M C 1.497 177.779 176.300 -0.030 0.000 1.114 275 M CA 0.655 56.008 55.300 0.088 0.000 1.053 275 M CB -0.764 31.932 32.600 0.160 0.000 1.599 275 M HN 0.318 nan 8.290 nan 0.000 0.520 276 I N -3.234 117.207 120.570 -0.215 0.000 3.684 276 I HA 0.013 4.183 4.170 -0.001 0.000 0.304 276 I C -0.334 175.536 176.117 -0.411 0.000 1.278 276 I CA 0.031 61.116 61.300 -0.359 0.000 1.272 276 I CB -0.332 37.353 38.000 -0.525 0.000 1.029 276 I HN -0.069 nan 8.210 nan 0.000 0.458 277 Y N 1.472 121.784 120.300 0.020 0.000 2.331 277 Y HA 0.419 4.968 4.550 -0.001 0.000 0.338 277 Y C 1.254 177.163 175.900 0.014 0.000 0.992 277 Y CA -0.891 57.217 58.100 0.013 0.000 1.121 277 Y CB 1.437 39.902 38.460 0.008 0.000 1.184 277 Y HN -0.181 nan 8.280 nan 0.000 0.469 278 K N 1.540 122.033 120.400 0.155 0.000 2.063 278 K HA -0.265 4.055 4.320 -0.001 0.000 0.208 278 K C 1.860 178.512 176.600 0.087 0.000 1.048 278 K CA 2.018 58.359 56.287 0.091 0.000 0.928 278 K CB 0.101 32.639 32.500 0.064 0.000 0.713 278 K HN 0.828 nan 8.250 nan 0.000 0.442 279 E N 1.136 121.392 120.200 0.095 0.000 2.038 279 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 279 E C 1.696 178.334 176.600 0.063 0.000 1.000 279 E CA 1.331 57.764 56.400 0.056 0.000 0.803 279 E CB 0.210 29.924 29.700 0.023 0.000 0.750 279 E HN 0.042 nan 8.360 nan 0.000 0.448 280 K N 0.514 120.975 120.400 0.102 0.000 2.057 280 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 280 K C 2.297 178.950 176.600 0.088 0.000 1.050 280 K CA 1.070 57.416 56.287 0.098 0.000 0.935 280 K CB -0.337 32.260 32.500 0.161 0.000 0.715 280 K HN 0.213 nan 8.250 nan 0.000 0.439 281 R N 0.999 121.555 120.500 0.094 0.000 2.081 281 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 281 R C 2.232 178.564 176.300 0.054 0.000 1.131 281 R CA 0.951 57.095 56.100 0.073 0.000 0.960 281 R CB -0.175 30.162 30.300 0.062 0.000 0.856 281 R HN 0.250 nan 8.270 nan 0.000 0.436 282 E N 0.996 121.225 120.200 0.048 0.000 2.118 282 E HA -0.170 4.180 4.350 -0.001 0.000 0.195 282 E C 1.613 178.231 176.600 0.029 0.000 0.992 282 E CA 2.006 58.427 56.400 0.034 0.000 0.804 282 E CB 0.081 29.799 29.700 0.029 0.000 0.741 282 E HN 0.352 nan 8.360 nan 0.000 0.458 283 S N -0.407 115.312 115.700 0.031 0.000 2.503 283 S HA 0.097 4.566 4.470 -0.001 0.000 0.215 283 S C 1.034 175.650 174.600 0.027 0.000 1.003 283 S CA -0.013 58.201 58.200 0.024 0.000 0.910 283 S CB 0.111 63.322 63.200 0.018 0.000 0.790 283 S HN 0.056 nan 8.310 nan 0.000 0.514 284 V N 3.931 123.868 119.914 0.038 0.000 2.763 284 V HA 0.428 4.548 4.120 -0.001 0.000 0.306 284 V C 0.374 176.490 176.094 0.037 0.000 1.059 284 V CA 0.160 62.484 62.300 0.041 0.000 1.138 284 V CB 1.005 32.865 31.823 0.062 0.000 0.940 284 V HN 0.717 nan 8.190 nan 0.000 0.489 285 S N 5.148 120.867 115.700 0.031 0.000 2.690 285 S HA 0.479 4.948 4.470 -0.001 0.000 0.291 285 S C 0.717 175.339 174.600 0.037 0.000 1.138 285 S CA -0.659 57.557 58.200 0.027 0.000 1.013 285 S CB 1.563 64.773 63.200 0.016 0.000 1.053 285 S HN 0.727 nan 8.310 nan 0.000 0.539 286 K N 0.542 120.962 120.400 0.032 0.000 2.103 286 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 286 K C 1.712 178.338 176.600 0.042 0.000 1.048 286 K CA 1.801 58.111 56.287 0.037 0.000 0.930 286 K CB -0.251 32.263 32.500 0.023 0.000 0.716 286 K HN 0.620 nan 8.250 nan 0.000 0.444 287 E N 0.940 121.158 120.200 0.029 0.000 2.110 287 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 287 E C 1.518 178.137 176.600 0.032 0.000 0.988 287 E CA 1.241 57.657 56.400 0.027 0.000 0.804 287 E CB -0.087 29.618 29.700 0.009 0.000 0.745 287 E HN 0.257 nan 8.360 nan 0.000 0.458 288 D N 0.009 120.425 120.400 0.027 0.000 2.149 288 D HA -0.086 4.554 4.640 -0.001 0.000 0.201 288 D C 1.943 178.264 176.300 0.034 0.000 0.972 288 D CA 0.656 54.665 54.000 0.016 0.000 0.835 288 D CB -0.073 40.733 40.800 0.009 0.000 0.966 288 D HN 0.204 nan 8.370 nan 0.000 0.476 289 L N 0.747 122.022 121.223 0.085 0.000 2.141 289 L HA -0.071 4.269 4.340 -0.001 0.000 0.209 289 L C 2.540 179.532 176.870 0.204 0.000 1.094 289 L CA 0.826 55.773 54.840 0.178 0.000 0.763 289 L CB -0.330 41.848 42.059 0.199 0.000 0.908 289 L HN -0.032 nan 8.230 nan 0.000 0.437 290 A N 0.106 123.016 122.820 0.149 0.000 1.898 290 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 290 A C 2.354 180.100 177.584 0.270 0.000 1.181 290 A CA 1.542 53.698 52.037 0.198 0.000 0.620 290 A CB -0.380 18.703 19.000 0.138 0.000 0.819 290 A HN 0.249 nan 8.150 nan 0.000 0.442 291 R N 0.233 120.814 120.500 0.135 0.000 2.090 291 R HA 0.081 4.420 4.340 -0.001 0.000 0.228 291 R C 2.114 178.436 176.300 0.036 0.000 1.110 291 R CA 1.741 57.883 56.100 0.070 0.000 0.973 291 R CB -0.951 29.346 30.300 -0.004 0.000 0.869 291 R HN 0.369 nan 8.270 nan 0.000 0.440 292 A N -0.677 122.124 122.820 -0.031 0.000 1.902 292 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 292 A C 2.161 179.693 177.584 -0.087 0.000 1.181 292 A CA 2.109 54.004 52.037 -0.236 0.000 0.623 292 A CB -1.081 17.539 19.000 -0.633 0.000 0.818 292 A HN 0.460 nan 8.150 nan 0.000 0.443 293 T N 0.089 114.789 114.554 0.244 0.000 2.684 293 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 293 T C 1.832 176.789 174.700 0.429 0.000 1.036 293 T CA 1.565 63.966 62.100 0.502 0.000 1.148 293 T CB -0.380 68.821 68.868 0.556 0.000 0.863 293 T HN 0.287 nan 8.240 nan 0.000 0.436 294 L N 1.224 122.667 121.223 0.367 0.000 2.017 294 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 294 L C 2.479 179.400 176.870 0.085 0.000 1.073 294 L CA 1.436 56.332 54.840 0.093 0.000 0.745 294 L CB -0.775 41.203 42.059 -0.135 0.000 0.894 294 L HN 0.076 nan 8.230 nan 0.000 0.432 295 V N -0.771 119.178 119.914 0.059 0.000 2.343 295 V HA -0.308 3.811 4.120 -0.001 0.000 0.247 295 V C 2.472 178.631 176.094 0.109 0.000 1.051 295 V CA 2.178 64.508 62.300 0.050 0.000 1.036 295 V CB -0.985 30.832 31.823 -0.010 0.000 0.654 295 V HN 0.540 nan 8.190 nan 0.000 0.451 296 T N 0.489 115.113 114.554 0.116 0.000 2.652 296 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 296 T C 1.876 176.681 174.700 0.175 0.000 1.039 296 T CA 1.722 63.919 62.100 0.162 0.000 1.153 296 T CB -0.241 68.767 68.868 0.233 0.000 0.863 296 T HN 0.202 nan 8.240 nan 0.000 0.428 297 I N 2.130 122.805 120.570 0.176 0.000 2.179 297 I HA -0.146 4.023 4.170 -0.001 0.000 0.242 297 I C 2.983 179.170 176.117 0.117 0.000 1.088 297 I CA 1.946 63.321 61.300 0.125 0.000 1.357 297 I CB -1.895 36.165 38.000 0.100 0.000 1.051 297 I HN 0.460 nan 8.210 nan 0.000 0.409 298 T N -0.863 113.783 114.554 0.153 0.000 2.777 298 T HA -0.107 4.243 4.350 -0.001 0.000 0.266 298 T C 1.752 176.593 174.700 0.235 0.000 1.040 298 T CA 1.149 63.359 62.100 0.182 0.000 1.141 298 T CB -0.446 68.522 68.868 0.167 0.000 0.868 298 T HN 0.160 nan 8.240 nan 0.000 0.444 299 N N 1.988 120.852 118.700 0.273 0.000 2.120 299 N HA -0.062 4.677 4.740 -0.001 0.000 0.188 299 N C 1.921 177.680 175.510 0.414 0.000 1.024 299 N CA 1.365 54.678 53.050 0.438 0.000 0.852 299 N CB -0.724 38.007 38.487 0.406 0.000 1.003 299 N HN 0.516 nan 8.380 nan 0.000 0.424 300 N N 0.942 119.774 118.700 0.220 0.000 2.106 300 N HA 0.035 4.775 4.740 -0.001 0.000 0.188 300 N C 1.737 177.247 175.510 0.001 0.000 1.029 300 N CA 0.740 53.831 53.050 0.068 0.000 0.848 300 N CB -0.110 38.417 38.487 0.067 0.000 1.007 300 N HN 0.174 nan 8.380 nan 0.000 0.423 301 I N -0.222 120.393 120.570 0.075 0.000 2.226 301 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 301 I C 2.286 178.481 176.117 0.129 0.000 1.100 301 I CA 1.272 62.627 61.300 0.093 0.000 1.374 301 I CB -0.735 37.355 38.000 0.150 0.000 1.057 301 I HN 0.284 nan 8.210 nan 0.000 0.413 302 G N -0.364 108.551 108.800 0.192 0.000 2.422 302 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 302 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 302 G C 1.774 176.658 174.900 -0.026 0.000 1.146 302 G CA 1.082 46.339 45.100 0.262 0.000 0.769 302 G HN 0.394 nan 8.290 nan 0.000 0.547 303 S N -0.383 114.987 115.700 -0.551 0.000 2.356 303 S HA -0.106 4.364 4.470 -0.001 0.000 0.223 303 S C 2.532 176.855 174.600 -0.461 0.000 1.032 303 S CA 1.561 59.075 58.200 -1.143 0.000 1.005 303 S CB -0.338 61.928 63.200 -1.556 0.000 0.867 303 S HN 0.123 nan 8.310 nan 0.000 0.449 304 V N 2.369 122.118 119.914 -0.274 0.000 2.287 304 V HA -0.158 3.962 4.120 -0.001 0.000 0.248 304 V C 2.926 178.960 176.094 -0.099 0.000 1.053 304 V CA 1.878 64.086 62.300 -0.154 0.000 1.027 304 V CB -1.469 30.296 31.823 -0.096 0.000 0.646 304 V HN 0.625 nan 8.190 nan 0.000 0.447 305 A N -0.068 122.724 122.820 -0.047 0.000 1.908 305 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 305 A C 2.436 180.004 177.584 -0.026 0.000 1.181 305 A CA 2.047 54.063 52.037 -0.034 0.000 0.627 305 A CB -0.586 18.444 19.000 0.050 0.000 0.818 305 A HN 0.394 nan 8.150 nan 0.000 0.445 306 R N -0.490 120.011 120.500 0.003 0.000 2.075 306 R HA -0.012 4.327 4.340 -0.001 0.000 0.232 306 R C 2.056 178.348 176.300 -0.013 0.000 1.126 306 R CA 1.853 57.968 56.100 0.026 0.000 0.963 306 R CB -0.475 29.886 30.300 0.103 0.000 0.858 306 R HN 0.618 nan 8.270 nan 0.000 0.435 307 M N -0.621 118.946 119.600 -0.055 0.000 2.229 307 M HA -0.178 4.301 4.480 -0.001 0.000 0.264 307 M C 2.665 178.941 176.300 -0.040 0.000 1.063 307 M CA 1.209 56.479 55.300 -0.050 0.000 1.114 307 M CB -0.371 32.181 32.600 -0.080 0.000 1.387 307 M HN 0.260 nan 8.290 nan 0.000 0.420 308 C N 0.449 119.719 119.300 -0.050 0.000 2.457 308 C HA 0.004 4.463 4.460 -0.001 0.000 0.278 308 C C 2.936 177.903 174.990 -0.038 0.000 1.309 308 C CA 1.133 60.124 59.018 -0.046 0.000 1.735 308 C CB -0.948 26.755 27.740 -0.063 0.000 1.992 308 C HN 0.576 nan 8.230 nan 0.000 0.493 309 A N -0.039 122.757 122.820 -0.041 0.000 1.930 309 A HA -0.033 4.287 4.320 -0.001 0.000 0.217 309 A C 2.308 179.884 177.584 -0.014 0.000 1.175 309 A CA 2.161 54.177 52.037 -0.035 0.000 0.627 309 A CB -0.758 18.221 19.000 -0.035 0.000 0.815 309 A HN 0.440 nan 8.150 nan 0.000 0.443 310 V N 0.910 120.819 119.914 -0.008 0.000 2.270 310 V HA -0.292 3.827 4.120 -0.001 0.000 0.245 310 V C 2.438 178.533 176.094 0.001 0.000 1.043 310 V CA 2.210 64.510 62.300 -0.000 0.000 1.014 310 V CB -1.024 30.800 31.823 0.002 0.000 0.645 310 V HN 0.811 nan 8.190 nan 0.000 0.447 311 N N -0.184 118.514 118.700 -0.004 0.000 2.149 311 N HA -0.217 4.522 4.740 -0.001 0.000 0.188 311 N C 1.686 177.203 175.510 0.011 0.000 1.019 311 N CA 1.291 54.342 53.050 0.001 0.000 0.857 311 N CB 0.066 38.550 38.487 -0.006 0.000 0.997 311 N HN 0.446 nan 8.380 nan 0.000 0.426 312 E N 0.726 120.934 120.200 0.014 0.000 2.435 312 E HA 0.001 4.351 4.350 -0.001 0.000 0.195 312 E C -0.163 176.469 176.600 0.053 0.000 1.029 312 E CA 0.257 56.682 56.400 0.042 0.000 0.865 312 E CB 0.185 29.904 29.700 0.030 0.000 0.833 312 E HN 0.291 nan 8.360 nan 0.000 0.510 313 K N 0.338 120.755 120.400 0.029 0.000 3.585 313 K HA -0.167 4.152 4.320 -0.001 0.000 0.275 313 K C -0.683 175.938 176.600 0.035 0.000 1.026 313 K CA 0.351 56.655 56.287 0.029 0.000 0.800 313 K CB -1.521 30.999 32.500 0.033 0.000 1.401 313 K HN 0.143 nan 8.250 nan 0.000 0.453 314 I N 1.307 121.884 120.570 0.012 0.000 2.571 314 I HA 0.094 4.264 4.170 -0.001 0.000 0.289 314 I C 0.524 176.628 176.117 -0.020 0.000 1.115 314 I CA -0.900 60.398 61.300 -0.003 0.000 1.045 314 I CB 1.735 39.715 38.000 -0.033 0.000 1.238 314 I HN 0.268 nan 8.210 nan 0.000 0.424 315 N N 4.233 122.924 118.700 -0.015 0.000 2.236 315 N HA 0.129 4.868 4.740 -0.001 0.000 0.196 315 N C 0.119 175.600 175.510 -0.050 0.000 1.114 315 N CA -0.257 52.780 53.050 -0.021 0.000 0.859 315 N CB 0.344 38.831 38.487 -0.000 0.000 0.982 315 N HN 0.420 nan 8.380 nan 0.000 0.493 316 R N 0.533 120.991 120.500 -0.071 0.000 2.275 316 R HA 0.451 4.790 4.340 -0.001 0.000 0.326 316 R C -1.333 174.860 176.300 -0.177 0.000 0.973 316 R CA -0.586 55.440 56.100 -0.123 0.000 0.854 316 R CB 1.662 31.915 30.300 -0.079 0.000 1.156 316 R HN -0.047 nan 8.270 nan 0.000 0.487 317 V N 4.713 124.499 119.914 -0.212 0.000 2.357 317 V HA 0.322 4.442 4.120 -0.001 0.000 0.284 317 V C -0.063 175.821 176.094 -0.349 0.000 1.018 317 V CA -0.807 61.324 62.300 -0.282 0.000 0.841 317 V CB 1.672 33.365 31.823 -0.217 0.000 0.991 317 V HN 0.393 nan 8.190 nan 0.000 0.437 318 V N 5.385 125.051 119.914 -0.415 0.000 2.435 318 V HA 0.530 4.649 4.120 -0.001 0.000 0.290 318 V C -0.568 175.252 176.094 -0.456 0.000 1.030 318 V CA -0.500 61.582 62.300 -0.365 0.000 0.881 318 V CB 1.485 33.146 31.823 -0.270 0.000 0.983 318 V HN 0.642 nan 8.190 nan 0.000 0.445 319 F N 4.345 124.100 119.950 -0.324 0.000 2.427 319 F HA 0.736 5.263 4.527 -0.001 0.000 0.346 319 F C 0.268 176.112 175.800 0.073 0.000 1.120 319 F CA -0.553 57.380 58.000 -0.113 0.000 1.033 319 F CB 1.861 40.818 39.000 -0.072 0.000 1.126 319 F HN 0.430 nan 8.300 nan 0.000 0.462 320 V N 0.020 120.080 119.914 0.243 0.000 3.156 320 V HA 1.095 5.214 4.120 -0.001 0.000 0.310 320 V C -0.143 176.098 176.094 0.245 0.000 1.234 320 V CA -0.853 61.604 62.300 0.261 0.000 1.065 320 V CB 1.295 33.245 31.823 0.211 0.000 1.088 320 V HN 1.292 nan 8.190 nan 0.000 0.451 321 G N 0.926 109.855 108.800 0.215 0.000 2.525 321 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.685 321 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.685 321 G C -0.038 174.972 174.900 0.183 0.000 1.285 321 G CA -0.086 45.121 45.100 0.179 0.000 0.849 321 G HN 1.522 nan 8.290 nan 0.000 0.653 322 N N -0.032 118.744 118.700 0.127 0.000 2.348 322 N HA -0.160 4.579 4.740 -0.001 0.000 0.185 322 N C 1.954 177.572 175.510 0.180 0.000 1.019 322 N CA 1.840 54.952 53.050 0.103 0.000 0.880 322 N CB -0.134 38.368 38.487 0.025 0.000 0.965 322 N HN 0.663 nan 8.380 nan 0.000 0.437 323 F N 1.465 121.450 119.950 0.058 0.000 2.408 323 F HA 0.062 4.589 4.527 -0.001 0.000 0.300 323 F C 1.475 177.438 175.800 0.271 0.000 1.090 323 F CA 0.651 58.738 58.000 0.144 0.000 1.427 323 F CB 0.190 39.259 39.000 0.115 0.000 1.070 323 F HN -0.070 nan 8.300 nan 0.000 0.549 324 L N -0.417 120.914 121.223 0.179 0.000 2.728 324 L HA 0.224 4.563 4.340 -0.001 0.000 0.238 324 L C 1.580 178.482 176.870 0.054 0.000 1.143 324 L CA -0.038 54.835 54.840 0.056 0.000 0.937 324 L CB -0.189 41.978 42.059 0.180 0.000 1.225 324 L HN -0.064 nan 8.230 nan 0.000 0.507 325 R N -0.614 119.948 120.500 0.103 0.000 2.275 325 R HA 0.050 4.389 4.340 -0.001 0.000 0.199 325 R C 1.606 177.933 176.300 0.046 0.000 0.989 325 R CA 0.161 56.306 56.100 0.075 0.000 1.016 325 R CB 0.205 30.552 30.300 0.078 0.000 0.918 325 R HN 0.133 nan 8.270 nan 0.000 0.473 326 V N 0.902 120.832 119.914 0.027 0.000 2.418 326 V HA -0.078 4.041 4.120 -0.001 0.000 0.208 326 V C 1.106 177.141 176.094 -0.098 0.000 1.093 326 V CA 0.980 63.248 62.300 -0.053 0.000 1.139 326 V CB -0.173 31.537 31.823 -0.188 0.000 0.720 326 V HN 0.253 nan 8.190 nan 0.000 0.483 327 N N 0.502 119.102 118.700 -0.167 0.000 2.669 327 N HA 0.203 4.942 4.740 -0.001 0.000 0.306 327 N C 0.870 176.287 175.510 -0.154 0.000 1.352 327 N CA 0.874 53.835 53.050 -0.148 0.000 0.886 327 N CB 0.094 38.480 38.487 -0.170 0.000 1.107 327 N HN 0.535 nan 8.380 nan 0.000 0.534 328 T N -2.190 112.266 114.554 -0.163 0.000 3.040 328 T HA 0.132 4.481 4.350 -0.001 0.000 0.266 328 T C 1.592 176.123 174.700 -0.283 0.000 1.005 328 T CA -0.250 61.743 62.100 -0.178 0.000 0.906 328 T CB -0.043 68.771 68.868 -0.090 0.000 1.082 328 T HN 0.153 nan 8.240 nan 0.000 0.531 329 L N 2.492 123.550 121.223 -0.276 0.000 1.989 329 L HA 0.024 4.363 4.340 -0.001 0.000 0.211 329 L C 2.445 179.120 176.870 -0.325 0.000 1.071 329 L CA 1.878 56.540 54.840 -0.296 0.000 0.749 329 L CB -1.109 40.794 42.059 -0.261 0.000 0.890 329 L HN 0.260 nan 8.230 nan 0.000 0.431 330 S N -0.677 114.804 115.700 -0.365 0.000 2.370 330 S HA -0.237 4.232 4.470 -0.001 0.000 0.226 330 S C 1.932 176.388 174.600 -0.241 0.000 1.033 330 S CA 1.996 59.985 58.200 -0.352 0.000 1.011 330 S CB -0.371 62.419 63.200 -0.682 0.000 0.852 330 S HN 0.463 nan 8.310 nan 0.000 0.457 331 M N 0.909 120.315 119.600 -0.323 0.000 2.086 331 M HA -0.149 4.331 4.480 -0.001 0.000 0.261 331 M C 2.169 178.178 176.300 -0.485 0.000 1.067 331 M CA 1.501 56.534 55.300 -0.445 0.000 1.116 331 M CB -0.410 31.742 32.600 -0.747 0.000 1.348 331 M HN 0.184 nan 8.290 nan 0.000 0.407 332 K N 0.311 120.305 120.400 -0.676 0.000 2.097 332 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 332 K C 1.840 178.269 176.600 -0.285 0.000 1.049 332 K CA 1.104 56.960 56.287 -0.717 0.000 0.933 332 K CB -0.240 31.823 32.500 -0.729 0.000 0.717 332 K HN 0.338 nan 8.250 nan 0.000 0.442 333 L N 0.684 121.786 121.223 -0.203 0.000 2.056 333 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 333 L C 2.280 179.196 176.870 0.078 0.000 1.078 333 L CA 0.976 55.785 54.840 -0.050 0.000 0.749 333 L CB -0.402 41.614 42.059 -0.072 0.000 0.901 333 L HN 0.177 nan 8.230 nan 0.000 0.433 334 L N -0.330 120.897 121.223 0.007 0.000 2.083 334 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 334 L C 2.872 179.726 176.870 -0.026 0.000 1.083 334 L CA 1.114 55.926 54.840 -0.046 0.000 0.752 334 L CB -0.650 41.253 42.059 -0.260 0.000 0.899 334 L HN 0.232 nan 8.230 nan 0.000 0.433 335 A N -0.693 122.169 122.820 0.070 0.000 1.902 335 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 335 A C 2.187 179.872 177.584 0.169 0.000 1.181 335 A CA 1.589 53.733 52.037 0.177 0.000 0.623 335 A CB -0.852 18.325 19.000 0.296 0.000 0.818 335 A HN 0.495 nan 8.150 nan 0.000 0.443 336 Y N 0.664 120.978 120.300 0.023 0.000 2.145 336 Y HA -0.076 4.474 4.550 -0.001 0.000 0.286 336 Y C 2.608 178.571 175.900 0.104 0.000 1.145 336 Y CA 1.352 59.471 58.100 0.032 0.000 1.148 336 Y CB -0.606 37.832 38.460 -0.037 0.000 0.981 336 Y HN 0.304 nan 8.280 nan 0.000 0.507 337 A N 0.425 123.344 122.820 0.166 0.000 1.865 337 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 337 A C 2.220 179.986 177.584 0.303 0.000 1.191 337 A CA 1.909 54.073 52.037 0.212 0.000 0.623 337 A CB -1.396 17.824 19.000 0.367 0.000 0.826 337 A HN 0.558 nan 8.150 nan 0.000 0.444 338 L N 0.551 121.931 121.223 0.262 0.000 2.079 338 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 338 L C 2.133 179.111 176.870 0.180 0.000 1.081 338 L CA 2.645 57.651 54.840 0.277 0.000 0.752 338 L CB -0.556 41.643 42.059 0.234 0.000 0.896 338 L HN 0.611 nan 8.230 nan 0.000 0.433 339 D N -1.899 118.560 120.400 0.098 0.000 2.144 339 D HA -0.294 4.345 4.640 -0.001 0.000 0.199 339 D C 2.057 178.348 176.300 -0.014 0.000 0.984 339 D CA 1.297 55.323 54.000 0.043 0.000 0.834 339 D CB -0.065 40.760 40.800 0.041 0.000 0.955 339 D HN 0.518 nan 8.370 nan 0.000 0.465 340 Y N 0.168 120.335 120.300 -0.222 0.000 2.109 340 Y HA -0.175 4.375 4.550 -0.001 0.000 0.285 340 Y C 2.020 177.766 175.900 -0.256 0.000 1.131 340 Y CA 1.857 59.755 58.100 -0.338 0.000 1.121 340 Y CB -0.942 37.136 38.460 -0.636 0.000 0.987 340 Y HN -0.023 nan 8.280 nan 0.000 0.495 341 W N 0.333 121.577 121.300 -0.094 0.000 2.392 341 W HA -0.121 4.538 4.660 -0.001 0.000 0.279 341 W C 2.572 179.003 176.519 -0.146 0.000 1.225 341 W CA 1.427 58.682 57.345 -0.150 0.000 1.233 341 W CB -0.564 28.920 29.460 0.040 0.000 1.122 341 W HN 0.265 nan 8.180 nan 0.000 0.561 342 S N 0.017 115.771 115.700 0.089 0.000 2.575 342 S HA 0.120 4.589 4.470 -0.001 0.000 0.215 342 S C 0.720 175.304 174.600 -0.026 0.000 0.966 342 S CA 0.026 58.252 58.200 0.043 0.000 0.911 342 S CB -0.399 62.837 63.200 0.060 0.000 0.780 342 S HN 0.312 nan 8.310 nan 0.000 0.514 343 K N 0.776 121.113 120.400 -0.104 0.000 3.035 343 K HA -0.174 4.145 4.320 -0.001 0.000 0.262 343 K C 0.795 177.371 176.600 -0.040 0.000 1.024 343 K CA 0.318 56.543 56.287 -0.105 0.000 0.748 343 K CB -2.252 30.195 32.500 -0.088 0.000 1.247 343 K HN 1.018 nan 8.250 nan 0.000 0.482 344 G N 0.028 108.815 108.800 -0.021 0.000 2.153 344 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.252 344 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.252 344 G C 0.532 175.437 174.900 0.008 0.000 0.994 344 G CA 0.608 45.712 45.100 0.007 0.000 0.698 344 G HN 0.378 nan 8.290 nan 0.000 0.521 345 Q N -1.006 118.797 119.800 0.005 0.000 2.384 345 Q HA 0.384 4.724 4.340 -0.001 0.000 0.207 345 Q C 1.238 177.239 176.000 0.001 0.000 0.904 345 Q CA 0.636 56.441 55.803 0.004 0.000 0.933 345 Q CB 0.637 29.377 28.738 0.004 0.000 1.077 345 Q HN 0.669 nan 8.270 nan 0.000 0.522 346 L N 0.806 122.033 121.223 0.006 0.000 2.381 346 L HA 0.460 4.799 4.340 -0.001 0.000 0.268 346 L C -0.475 176.387 176.870 -0.014 0.000 0.997 346 L CA -0.649 54.187 54.840 -0.008 0.000 0.818 346 L CB 2.186 44.256 42.059 0.018 0.000 1.310 346 L HN -0.278 nan 8.230 nan 0.000 0.416 347 K N 1.998 122.345 120.400 -0.088 0.000 2.244 347 K HA 0.676 4.995 4.320 -0.001 0.000 0.260 347 K C -0.551 175.990 176.600 -0.099 0.000 0.951 347 K CA -0.670 55.555 56.287 -0.103 0.000 0.826 347 K CB 2.304 34.611 32.500 -0.321 0.000 1.108 347 K HN 0.631 nan 8.250 nan 0.000 0.433 348 A N 4.403 127.242 122.820 0.031 0.000 2.454 348 A HA 0.297 4.617 4.320 -0.001 0.000 0.260 348 A C -0.212 177.208 177.584 -0.272 0.000 1.106 348 A CA -0.251 51.771 52.037 -0.026 0.000 0.780 348 A CB -0.106 18.842 19.000 -0.087 0.000 1.044 348 A HN 0.658 nan 8.150 nan 0.000 0.498 349 L N 1.994 122.930 121.223 -0.478 0.000 2.331 349 L HA 0.738 5.077 4.340 -0.001 0.000 0.275 349 L C -0.786 175.539 176.870 -0.909 0.000 1.022 349 L CA -0.419 54.085 54.840 -0.560 0.000 0.812 349 L CB 1.488 43.268 42.059 -0.465 0.000 1.257 349 L HN 0.707 nan 8.230 nan 0.000 0.435 350 F N 1.320 121.077 119.950 -0.322 0.000 2.650 350 F HA 0.689 5.215 4.527 -0.001 0.000 0.320 350 F C -0.508 175.025 175.800 -0.445 0.000 1.091 350 F CA -0.776 56.974 58.000 -0.417 0.000 0.962 350 F CB 1.749 40.338 39.000 -0.685 0.000 1.363 350 F HN 0.095 nan 8.300 nan 0.000 0.482 351 L N 1.176 122.445 121.223 0.077 0.000 2.408 351 L HA 0.447 4.786 4.340 -0.001 0.000 0.268 351 L C 0.748 177.823 176.870 0.341 0.000 0.986 351 L CA -0.808 54.188 54.840 0.260 0.000 0.820 351 L CB 2.034 44.361 42.059 0.447 0.000 1.303 351 L HN 0.590 nan 8.230 nan 0.000 0.411 352 E N 0.514 120.929 120.200 0.358 0.000 2.085 352 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 352 E C 0.918 177.431 176.600 -0.145 0.000 0.994 352 E CA 1.746 58.234 56.400 0.147 0.000 0.801 352 E CB -0.022 29.705 29.700 0.045 0.000 0.743 352 E HN 0.594 nan 8.360 nan 0.000 0.453 353 H N 0.479 119.462 119.070 -0.146 0.000 2.555 353 H HA 0.082 4.637 4.556 -0.002 0.000 0.283 353 H C 0.345 175.113 175.328 -0.934 0.000 1.037 353 H CA -0.103 55.636 56.048 -0.515 0.000 1.169 353 H CB -0.000 29.407 29.762 -0.590 0.000 1.375 353 H HN -0.042 nan 8.280 nan 0.000 0.582 354 E N 0.693 120.626 120.200 -0.445 0.000 2.465 354 E HA 0.034 4.383 4.350 -0.001 0.000 0.260 354 E C 1.207 177.656 176.600 -0.251 0.000 0.980 354 E CA 1.034 57.264 56.400 -0.283 0.000 0.927 354 E CB 0.409 30.191 29.700 0.137 0.000 0.934 354 E HN 0.695 nan 8.360 nan 0.000 0.459 355 G N 4.486 113.157 108.800 -0.216 0.000 2.339 355 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.209 355 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.209 355 G C 0.681 175.360 174.900 -0.369 0.000 1.015 355 G CA 0.197 45.159 45.100 -0.231 0.000 0.635 355 G HN 0.542 nan 8.290 nan 0.000 0.499 356 Y N 0.306 120.451 120.300 -0.259 0.000 2.467 356 Y HA 0.470 5.020 4.550 -0.000 0.000 0.250 356 Y C 2.131 178.054 175.900 0.039 0.000 1.155 356 Y CA -0.311 57.741 58.100 -0.080 0.000 1.249 356 Y CB 0.114 38.518 38.460 -0.093 0.000 1.146 356 Y HN 0.209 nan 8.280 nan 0.000 0.524 357 F N -0.238 119.828 119.950 0.194 0.000 2.171 357 F HA -0.114 4.412 4.527 -0.001 0.000 0.300 357 F C 2.384 178.260 175.800 0.127 0.000 1.090 357 F CA 1.360 59.454 58.000 0.155 0.000 1.293 357 F CB -1.122 37.932 39.000 0.091 0.000 1.013 357 F HN 0.068 nan 8.300 nan 0.000 0.486 358 G N -0.582 108.375 108.800 0.261 0.000 2.418 358 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.217 358 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.217 358 G C 1.922 176.921 174.900 0.166 0.000 1.158 358 G CA 0.865 46.061 45.100 0.160 0.000 0.771 358 G HN 0.456 nan 8.290 nan 0.000 0.545 359 A N 0.100 123.038 122.820 0.195 0.000 1.930 359 A HA 0.104 4.424 4.320 -0.001 0.000 0.217 359 A C 2.589 180.332 177.584 0.265 0.000 1.175 359 A CA 1.767 53.942 52.037 0.230 0.000 0.627 359 A CB -0.552 18.632 19.000 0.306 0.000 0.815 359 A HN 0.251 nan 8.150 nan 0.000 0.443 360 V N -0.093 120.015 119.914 0.323 0.000 2.358 360 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 360 V C 2.807 179.002 176.094 0.170 0.000 1.047 360 V CA 1.868 64.335 62.300 0.279 0.000 1.035 360 V CB -1.417 30.641 31.823 0.393 0.000 0.658 360 V HN 0.602 nan 8.190 nan 0.000 0.452 361 G N -0.332 108.576 108.800 0.179 0.000 2.422 361 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 361 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 361 G C 1.734 176.697 174.900 0.105 0.000 1.146 361 G CA 1.007 46.178 45.100 0.118 0.000 0.769 361 G HN 0.605 nan 8.290 nan 0.000 0.547 362 A N 0.350 123.246 122.820 0.128 0.000 1.969 362 A HA 0.142 4.461 4.320 -0.001 0.000 0.218 362 A C 2.331 179.995 177.584 0.133 0.000 1.169 362 A CA 1.324 53.439 52.037 0.129 0.000 0.635 362 A CB -0.331 18.755 19.000 0.143 0.000 0.810 362 A HN 0.414 nan 8.150 nan 0.000 0.445 363 L N -0.543 120.766 121.223 0.144 0.000 2.056 363 L HA -0.062 4.278 4.340 -0.001 0.000 0.207 363 L C 2.135 179.057 176.870 0.087 0.000 1.078 363 L CA 1.171 56.093 54.840 0.137 0.000 0.749 363 L CB -0.185 41.965 42.059 0.152 0.000 0.901 363 L HN 0.390 nan 8.230 nan 0.000 0.433 364 L N -0.516 120.732 121.223 0.043 0.000 2.362 364 L HA -0.055 4.284 4.340 -0.001 0.000 0.219 364 L C 2.141 179.064 176.870 0.089 0.000 1.134 364 L CA 0.773 55.653 54.840 0.067 0.000 0.807 364 L CB -0.773 41.256 42.059 -0.050 0.000 0.927 364 L HN 0.377 nan 8.230 nan 0.000 0.447 365 G N -0.417 108.420 108.800 0.063 0.000 3.141 365 G HA2 0.170 4.130 3.960 -0.001 0.000 0.218 365 G HA3 0.170 4.130 3.960 -0.001 0.000 0.218 365 G C 0.701 175.607 174.900 0.010 0.000 1.170 365 G CA -0.447 44.683 45.100 0.050 0.000 0.769 365 G HN 0.079 nan 8.290 nan 0.000 0.546 366 L N 1.235 122.435 121.223 -0.039 0.000 2.593 366 L HA 0.091 4.430 4.340 -0.001 0.000 0.287 366 L C -1.796 174.987 176.870 -0.145 0.000 1.243 366 L CA -1.176 53.605 54.840 -0.098 0.000 0.890 366 L CB 0.466 42.409 42.059 -0.194 0.000 1.134 366 L HN -0.011 nan 8.230 nan 0.000 0.502 367 P HA 0.008 nan 4.420 nan 0.000 0.263 367 P C -1.240 175.965 177.300 -0.159 0.000 1.195 367 P CA -0.098 62.931 63.100 -0.119 0.000 0.762 367 P CB 0.348 31.996 31.700 -0.087 0.000 0.799 368 N N 0.000 118.599 118.700 -0.169 0.000 1.763 368 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 368 N CA 0.000 52.934 53.050 -0.193 0.000 0.885 368 N CB 0.000 38.348 38.487 -0.232 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667