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 1xxi_1_D DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.146 176.094 0.087 0.000 1.182 5 V CA 0.000 62.331 62.300 0.051 0.000 1.235 5 V CB 0.000 31.847 31.823 0.040 0.000 1.184 6 L N 0.934 122.226 121.223 0.115 0.000 2.043 6 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 6 L C 2.979 179.982 176.870 0.222 0.000 1.075 6 L CA 2.709 57.675 54.840 0.209 0.000 0.752 6 L CB -0.807 41.327 42.059 0.124 0.000 0.891 6 L HN 1.054 nan 8.230 nan 0.000 0.432 7 A N 0.277 123.170 122.820 0.120 0.000 1.892 7 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 7 A C 2.370 180.003 177.584 0.081 0.000 1.188 7 A CA 2.297 54.391 52.037 0.095 0.000 0.631 7 A CB -0.529 18.502 19.000 0.051 0.000 0.822 7 A HN 0.345 nan 8.150 nan 0.000 0.447 8 R N -0.002 120.529 120.500 0.052 0.000 2.093 8 R HA -0.013 4.327 4.340 -0.000 0.000 0.224 8 R C 2.120 178.408 176.300 -0.020 0.000 1.101 8 R CA 1.929 58.036 56.100 0.012 0.000 0.979 8 R CB -0.396 29.904 30.300 -0.001 0.000 0.877 8 R HN 0.540 nan 8.270 nan 0.000 0.441 9 K N -1.140 119.254 120.400 -0.011 0.000 2.097 9 K HA -0.124 4.195 4.320 -0.000 0.000 0.205 9 K C 0.281 176.664 176.600 -0.363 0.000 1.050 9 K CA 1.328 57.519 56.287 -0.160 0.000 0.938 9 K CB -0.056 32.378 32.500 -0.110 0.000 0.718 9 K HN 0.233 nan 8.250 nan 0.000 0.442 10 W N 1.959 123.249 121.300 -0.016 0.000 3.151 10 W HA 0.279 4.939 4.660 -0.000 0.000 0.424 10 W C -0.144 176.361 176.519 -0.023 0.000 1.012 10 W CA -0.763 56.575 57.345 -0.011 0.000 2.018 10 W CB 0.276 29.736 29.460 -0.001 0.000 1.087 10 W HN -0.095 nan 8.180 nan 0.000 0.740 11 R N 1.801 122.326 120.500 0.042 0.000 2.489 11 R HA 0.109 4.449 4.340 -0.000 0.000 0.287 11 R C -2.131 174.160 176.300 -0.015 0.000 1.053 11 R CA -1.430 54.675 56.100 0.008 0.000 1.036 11 R CB 0.324 30.603 30.300 -0.034 0.000 0.966 11 R HN -0.198 nan 8.270 nan 0.000 0.432 12 P HA -0.052 nan 4.420 nan 0.000 0.262 12 P C -0.642 176.619 177.300 -0.066 0.000 1.182 12 P CA 0.377 63.455 63.100 -0.038 0.000 0.761 12 P CB 0.785 32.433 31.700 -0.085 0.000 0.795 13 Q N 0.943 120.717 119.800 -0.045 0.000 2.317 13 Q HA 0.121 4.461 4.340 -0.000 0.000 0.220 13 Q C 0.263 176.260 176.000 -0.005 0.000 0.873 13 Q CA 0.471 56.246 55.803 -0.046 0.000 0.936 13 Q CB 0.579 29.283 28.738 -0.058 0.000 1.105 13 Q HN 0.619 nan 8.270 nan 0.000 0.520 14 T N -4.876 109.693 114.554 0.025 0.000 2.868 14 T HA 0.344 4.694 4.350 -0.000 0.000 0.306 14 T C 0.205 175.001 174.700 0.160 0.000 1.224 14 T CA -0.747 61.426 62.100 0.122 0.000 1.012 14 T CB -0.041 68.878 68.868 0.085 0.000 1.221 14 T HN 0.009 nan 8.240 nan 0.000 0.499 15 F N 0.744 120.654 119.950 -0.068 0.000 2.269 15 F HA 0.070 4.597 4.527 -0.000 0.000 0.301 15 F C 2.907 178.674 175.800 -0.056 0.000 1.082 15 F CA 0.813 58.768 58.000 -0.075 0.000 1.360 15 F CB -0.248 38.705 39.000 -0.079 0.000 1.041 15 F HN 0.789 nan 8.300 nan 0.000 0.512 16 A N -0.492 122.420 122.820 0.154 0.000 2.067 16 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 16 A C 1.566 179.172 177.584 0.037 0.000 1.158 16 A CA 1.586 53.666 52.037 0.072 0.000 0.661 16 A CB -0.482 18.549 19.000 0.052 0.000 0.801 16 A HN 0.198 nan 8.150 nan 0.000 0.452 17 D N -0.442 119.980 120.400 0.037 0.000 2.349 17 D HA 0.102 4.742 4.640 -0.000 0.000 0.224 17 D C 0.136 176.436 176.300 0.000 0.000 1.029 17 D CA 0.287 54.304 54.000 0.028 0.000 0.879 17 D CB 0.112 40.938 40.800 0.045 0.000 0.906 17 D HN 0.169 nan 8.370 nan 0.000 0.528 18 V N 1.519 121.419 119.914 -0.023 0.000 2.498 18 V HA 0.110 4.230 4.120 -0.000 0.000 0.279 18 V C 0.617 176.689 176.094 -0.037 0.000 1.048 18 V CA -0.578 61.687 62.300 -0.058 0.000 0.967 18 V CB 1.877 33.628 31.823 -0.121 0.000 0.988 18 V HN -0.213 nan 8.190 nan 0.000 0.473 19 V N 3.692 123.584 119.914 -0.036 0.000 2.567 19 V HA 0.457 4.577 4.120 -0.000 0.000 0.289 19 V C 1.314 177.399 176.094 -0.016 0.000 1.049 19 V CA 0.112 62.397 62.300 -0.024 0.000 0.969 19 V CB 1.166 32.978 31.823 -0.018 0.000 0.995 19 V HN 1.166 nan 8.190 nan 0.000 0.471 20 G N 3.910 112.708 108.800 -0.004 0.000 2.263 20 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.266 20 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.266 20 G C 0.422 175.354 174.900 0.053 0.000 0.817 20 G CA 0.412 45.525 45.100 0.022 0.000 1.111 20 G HN 0.694 nan 8.290 nan 0.000 0.445 21 Q N -0.671 119.149 119.800 0.033 0.000 2.144 21 Q HA 0.194 4.534 4.340 -0.000 0.000 0.305 21 Q C 1.384 177.377 176.000 -0.011 0.000 0.876 21 Q CA -0.233 55.585 55.803 0.025 0.000 1.130 21 Q CB 0.539 29.238 28.738 -0.065 0.000 1.267 21 Q HN 0.638 nan 8.270 nan 0.000 0.433 22 E N 0.771 121.032 120.200 0.101 0.000 2.068 22 E HA -0.262 4.088 4.350 -0.000 0.000 0.207 22 E C 1.756 178.421 176.600 0.109 0.000 1.032 22 E CA 2.238 58.699 56.400 0.100 0.000 0.839 22 E CB -0.274 29.497 29.700 0.118 0.000 0.758 22 E HN 0.558 nan 8.360 nan 0.000 0.457 23 H N -0.253 118.860 119.070 0.073 0.000 2.426 23 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 23 H C 1.968 177.380 175.328 0.140 0.000 1.107 23 H CA 1.597 57.709 56.048 0.106 0.000 1.298 23 H CB -0.784 29.049 29.762 0.118 0.000 1.377 23 H HN 0.126 nan 8.280 nan 0.000 0.519 24 V N 1.523 121.155 119.914 -0.470 0.000 2.446 24 V HA -0.133 3.986 4.120 -0.000 0.000 0.244 24 V C 3.100 179.057 176.094 -0.229 0.000 1.039 24 V CA 1.027 63.113 62.300 -0.358 0.000 1.045 24 V CB -0.493 31.076 31.823 -0.423 0.000 0.681 24 V HN 0.230 nan 8.190 nan 0.000 0.459 25 L N -0.194 120.956 121.223 -0.120 0.000 2.141 25 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 25 L C 2.580 179.501 176.870 0.085 0.000 1.094 25 L CA 1.682 56.545 54.840 0.039 0.000 0.763 25 L CB -1.012 41.092 42.059 0.075 0.000 0.908 25 L HN 0.338 nan 8.230 nan 0.000 0.437 26 T N -0.073 114.515 114.554 0.056 0.000 2.821 26 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 26 T C 2.015 176.761 174.700 0.077 0.000 1.046 26 T CA 1.298 63.438 62.100 0.067 0.000 1.139 26 T CB -0.068 68.849 68.868 0.082 0.000 0.871 26 T HN 0.438 nan 8.240 nan 0.000 0.454 27 A N 0.986 123.864 122.820 0.098 0.000 1.897 27 A HA 0.133 4.452 4.320 -0.000 0.000 0.215 27 A C 2.270 179.933 177.584 0.131 0.000 1.181 27 A CA 0.898 53.031 52.037 0.159 0.000 0.620 27 A CB -0.703 18.493 19.000 0.326 0.000 0.821 27 A HN 0.442 nan 8.150 nan 0.000 0.443 28 L N -0.742 120.497 121.223 0.027 0.000 2.046 28 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 28 L C 3.102 180.012 176.870 0.067 0.000 1.077 28 L CA 1.055 55.933 54.840 0.064 0.000 0.747 28 L CB -0.528 41.571 42.059 0.067 0.000 0.896 28 L HN 0.454 nan 8.230 nan 0.000 0.432 29 A N 0.323 123.152 122.820 0.015 0.000 1.873 29 A HA -0.265 4.055 4.320 -0.000 0.000 0.215 29 A C 2.023 179.586 177.584 -0.035 0.000 1.186 29 A CA 2.145 54.114 52.037 -0.113 0.000 0.616 29 A CB -0.757 18.164 19.000 -0.131 0.000 0.823 29 A HN 0.483 nan 8.150 nan 0.000 0.442 30 N N -0.120 118.595 118.700 0.026 0.000 2.069 30 N HA -0.076 4.663 4.740 -0.000 0.000 0.191 30 N C 1.781 177.335 175.510 0.074 0.000 1.031 30 N CA 2.207 55.286 53.050 0.048 0.000 0.852 30 N CB -0.617 37.913 38.487 0.072 0.000 1.018 30 N HN 0.299 nan 8.380 nan 0.000 0.423 31 G N 0.589 109.461 108.800 0.120 0.000 2.446 31 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 31 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 31 G C 1.605 176.585 174.900 0.133 0.000 1.168 31 G CA 0.832 46.035 45.100 0.170 0.000 0.771 31 G HN 0.324 nan 8.290 nan 0.000 0.551 32 L N 1.313 122.589 121.223 0.087 0.000 2.017 32 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 32 L C 3.388 180.272 176.870 0.024 0.000 1.073 32 L CA 1.719 56.586 54.840 0.045 0.000 0.745 32 L CB -0.470 41.565 42.059 -0.040 0.000 0.894 32 L HN 0.462 nan 8.230 nan 0.000 0.432 33 S N -0.225 115.472 115.700 -0.006 0.000 2.399 33 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 33 S C 1.680 176.293 174.600 0.022 0.000 1.022 33 S CA 0.991 59.187 58.200 -0.008 0.000 0.983 33 S CB -0.502 62.684 63.200 -0.024 0.000 0.803 33 S HN 0.418 nan 8.310 nan 0.000 0.480 34 L N 1.173 122.421 121.223 0.042 0.000 2.653 34 L HA 0.320 4.660 4.340 -0.000 0.000 0.231 34 L C 1.560 178.468 176.870 0.063 0.000 1.153 34 L CA 0.204 55.074 54.840 0.050 0.000 0.933 34 L CB -0.695 41.397 42.059 0.054 0.000 1.175 34 L HN 0.608 nan 8.230 nan 0.000 0.473 35 G N 1.357 110.202 108.800 0.076 0.000 2.249 35 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.273 35 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.273 35 G C 0.428 175.389 174.900 0.103 0.000 1.036 35 G CA 0.080 45.238 45.100 0.097 0.000 0.824 35 G HN 0.376 nan 8.290 nan 0.000 0.504 36 R N 0.352 120.920 120.500 0.114 0.000 2.369 36 R HA 0.396 4.736 4.340 -0.000 0.000 0.310 36 R C -0.181 176.220 176.300 0.168 0.000 1.141 36 R CA -0.600 55.562 56.100 0.104 0.000 1.116 36 R CB -0.040 30.332 30.300 0.121 0.000 1.135 36 R HN 0.184 nan 8.270 nan 0.000 0.529 37 I N 4.014 124.662 120.570 0.130 0.000 2.339 37 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 37 I C 0.318 176.498 176.117 0.104 0.000 0.994 37 I CA -1.116 60.315 61.300 0.219 0.000 1.191 37 I CB 0.893 38.987 38.000 0.156 0.000 1.343 37 I HN 0.421 nan 8.210 nan 0.000 0.458 38 H N 4.526 123.608 119.070 0.020 0.000 2.544 38 H HA 0.241 4.797 4.556 -0.000 0.000 0.365 38 H C 1.388 176.673 175.328 -0.072 0.000 1.268 38 H CA -0.243 55.735 56.048 -0.118 0.000 1.400 38 H CB 0.677 30.189 29.762 -0.416 0.000 1.538 38 H HN 0.521 nan 8.280 nan 0.000 0.597 39 H N -0.619 118.464 119.070 0.022 0.000 2.512 39 H HA 0.368 4.924 4.556 -0.000 0.000 0.279 39 H C -0.198 175.217 175.328 0.146 0.000 0.999 39 H CA 0.631 56.730 56.048 0.084 0.000 1.283 39 H CB 0.198 30.013 29.762 0.087 0.000 1.421 39 H HN 0.446 nan 8.280 nan 0.000 0.554 40 A N 0.296 122.812 122.820 -0.506 0.000 2.488 40 A HA 0.558 4.878 4.320 -0.000 0.000 0.298 40 A C -1.981 175.393 177.584 -0.350 0.000 1.044 40 A CA -0.709 51.195 52.037 -0.222 0.000 0.693 40 A CB 1.306 20.149 19.000 -0.261 0.000 1.272 40 A HN 0.180 nan 8.150 nan 0.000 0.402 41 Y N 0.747 121.001 120.300 -0.078 0.000 2.446 41 Y HA 0.682 5.232 4.550 -0.000 0.000 0.345 41 Y C -0.188 175.542 175.900 -0.283 0.000 0.984 41 Y CA -0.862 57.122 58.100 -0.194 0.000 1.058 41 Y CB 2.213 40.603 38.460 -0.116 0.000 1.220 41 Y HN 0.676 nan 8.280 nan 0.000 0.455 42 L N 4.101 125.128 121.223 -0.327 0.000 2.356 42 L HA 0.586 4.926 4.340 -0.000 0.000 0.277 42 L C -1.875 174.712 176.870 -0.471 0.000 0.996 42 L CA -0.677 53.997 54.840 -0.276 0.000 0.822 42 L CB 0.935 42.873 42.059 -0.201 0.000 1.256 42 L HN 0.558 nan 8.230 nan 0.000 0.413 43 F N 2.933 122.944 119.950 0.101 0.000 2.427 43 F HA 0.438 4.965 4.527 -0.000 0.000 0.348 43 F C 0.492 176.318 175.800 0.044 0.000 1.125 43 F CA -0.449 57.600 58.000 0.080 0.000 0.989 43 F CB 2.043 41.076 39.000 0.055 0.000 1.165 43 F HN 0.400 nan 8.300 nan 0.000 0.442 44 S N 1.868 117.656 115.700 0.147 0.000 2.689 44 S HA 1.030 5.500 4.470 -0.000 0.000 0.306 44 S C -0.253 174.436 174.600 0.149 0.000 1.104 44 S CA -0.348 57.923 58.200 0.119 0.000 0.973 44 S CB 2.143 65.383 63.200 0.067 0.000 1.121 44 S HN 1.371 nan 8.310 nan 0.000 0.523 45 G N 0.376 109.250 108.800 0.122 0.000 2.347 45 G HA2 0.373 4.333 3.960 -0.000 0.000 0.321 45 G HA3 0.373 4.333 3.960 -0.000 0.000 0.321 45 G C -0.249 174.699 174.900 0.080 0.000 1.412 45 G CA -0.174 44.994 45.100 0.113 0.000 0.990 45 G HN 1.379 nan 8.290 nan 0.000 0.637 46 T N -0.705 113.889 114.554 0.066 0.000 3.449 46 T HA 0.525 4.875 4.350 -0.000 0.000 0.387 46 T C 0.681 175.411 174.700 0.048 0.000 1.222 46 T CA -0.112 62.018 62.100 0.050 0.000 1.008 46 T CB 0.340 69.233 68.868 0.040 0.000 1.688 46 T HN 0.572 nan 8.240 nan 0.000 0.542 47 R N 0.833 121.356 120.500 0.040 0.000 2.390 47 R HA 0.427 4.767 4.340 -0.000 0.000 0.291 47 R C 1.311 177.627 176.300 0.026 0.000 1.070 47 R CA 0.480 56.600 56.100 0.035 0.000 1.014 47 R CB 0.193 30.512 30.300 0.031 0.000 1.007 47 R HN 1.166 nan 8.270 nan 0.000 0.466 48 G N 1.661 110.473 108.800 0.021 0.000 2.356 48 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.296 48 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.296 48 G C 0.595 175.500 174.900 0.008 0.000 1.022 48 G CA 0.701 45.808 45.100 0.011 0.000 0.961 48 G HN 0.538 nan 8.290 nan 0.000 0.510 49 V N -3.959 115.961 119.914 0.010 0.000 3.644 49 V HA 0.667 4.787 4.120 -0.000 0.000 0.267 49 V C 1.710 177.795 176.094 -0.015 0.000 1.277 49 V CA 1.083 63.389 62.300 0.010 0.000 1.096 49 V CB 0.288 32.131 31.823 0.034 0.000 0.828 49 V HN 2.123 nan 8.190 nan 0.000 0.446 50 G N 0.536 109.314 108.800 -0.038 0.000 2.151 50 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.140 50 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.140 50 G C 0.589 175.396 174.900 -0.154 0.000 1.020 50 G CA 0.228 45.272 45.100 -0.093 0.000 0.688 50 G HN 0.426 nan 8.290 nan 0.000 0.500 51 K N -0.110 120.229 120.400 -0.101 0.000 2.002 51 K HA -0.064 4.255 4.320 -0.000 0.000 0.209 51 K C 2.501 178.949 176.600 -0.254 0.000 1.048 51 K CA 1.924 58.130 56.287 -0.134 0.000 0.930 51 K CB -0.326 32.188 32.500 0.025 0.000 0.714 51 K HN 0.284 nan 8.250 nan 0.000 0.438 52 T N 0.968 115.434 114.554 -0.147 0.000 2.821 52 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 52 T C 2.139 176.710 174.700 -0.215 0.000 1.046 52 T CA 1.321 63.334 62.100 -0.145 0.000 1.139 52 T CB -0.146 68.680 68.868 -0.069 0.000 0.871 52 T HN 0.139 nan 8.240 nan 0.000 0.454 53 S N 1.223 116.796 115.700 -0.211 0.000 2.353 53 S HA -0.032 4.438 4.470 -0.000 0.000 0.222 53 S C 2.041 176.421 174.600 -0.367 0.000 1.035 53 S CA 1.050 59.111 58.200 -0.233 0.000 1.025 53 S CB -0.423 62.663 63.200 -0.190 0.000 0.902 53 S HN 0.417 nan 8.310 nan 0.000 0.440 54 I N 1.479 121.751 120.570 -0.497 0.000 2.252 54 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 54 I C 2.707 178.348 176.117 -0.793 0.000 1.102 54 I CA 1.022 61.886 61.300 -0.726 0.000 1.385 54 I CB -0.565 36.962 38.000 -0.788 0.000 1.064 54 I HN 0.268 nan 8.210 nan 0.000 0.414 55 A N 0.679 123.000 122.820 -0.832 0.000 1.908 55 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 55 A C 2.445 179.851 177.584 -0.296 0.000 1.181 55 A CA 1.545 53.239 52.037 -0.571 0.000 0.627 55 A CB -0.626 18.187 19.000 -0.311 0.000 0.818 55 A HN 0.290 nan 8.150 nan 0.000 0.445 56 R N -0.724 119.621 120.500 -0.259 0.000 2.096 56 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 56 R C 2.051 178.252 176.300 -0.165 0.000 1.127 56 R CA 1.422 57.421 56.100 -0.168 0.000 0.968 56 R CB -0.400 29.814 30.300 -0.144 0.000 0.861 56 R HN 0.579 nan 8.270 nan 0.000 0.440 57 L N 0.326 121.401 121.223 -0.246 0.000 2.093 57 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 57 L C 2.406 179.266 176.870 -0.017 0.000 1.085 57 L CA 0.521 55.258 54.840 -0.170 0.000 0.755 57 L CB -0.443 41.345 42.059 -0.452 0.000 0.904 57 L HN 0.214 nan 8.230 nan 0.000 0.435 58 L N 0.498 121.644 121.223 -0.127 0.000 2.017 58 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 58 L C 2.650 179.497 176.870 -0.039 0.000 1.073 58 L CA 2.102 56.926 54.840 -0.028 0.000 0.745 58 L CB -0.820 41.130 42.059 -0.182 0.000 0.894 58 L HN 0.146 nan 8.230 nan 0.000 0.432 59 A N -0.808 121.974 122.820 -0.063 0.000 1.940 59 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 59 A C 2.468 180.050 177.584 -0.002 0.000 1.176 59 A CA 2.042 54.068 52.037 -0.018 0.000 0.631 59 A CB -0.611 18.384 19.000 -0.007 0.000 0.814 59 A HN 0.515 nan 8.150 nan 0.000 0.446 60 K N -0.955 119.428 120.400 -0.029 0.000 2.057 60 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 60 K C 2.055 178.652 176.600 -0.005 0.000 1.050 60 K CA 1.183 57.440 56.287 -0.050 0.000 0.935 60 K CB -0.449 32.024 32.500 -0.046 0.000 0.715 60 K HN 0.433 nan 8.250 nan 0.000 0.439 61 G N 0.789 109.618 108.800 0.048 0.000 2.422 61 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 61 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 61 G C 1.394 176.326 174.900 0.055 0.000 1.140 61 G CA 0.460 45.582 45.100 0.037 0.000 0.775 61 G HN 0.173 nan 8.290 nan 0.000 0.545 62 L N -0.022 121.250 121.223 0.082 0.000 2.179 62 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 62 L C 1.938 178.987 176.870 0.299 0.000 1.096 62 L CA 0.604 55.557 54.840 0.188 0.000 0.779 62 L CB -0.039 42.081 42.059 0.100 0.000 0.922 62 L HN 0.115 nan 8.230 nan 0.000 0.443 63 N N -1.287 117.517 118.700 0.173 0.000 2.184 63 N HA 0.045 4.785 4.740 -0.000 0.000 0.206 63 N C 0.006 175.528 175.510 0.019 0.000 1.151 63 N CA -0.062 53.073 53.050 0.142 0.000 0.878 63 N CB 0.381 38.973 38.487 0.175 0.000 1.014 63 N HN 0.165 nan 8.380 nan 0.000 0.512 64 C N 1.899 121.196 119.300 -0.004 0.000 2.596 64 C HA 0.019 4.479 4.460 -0.000 0.000 0.414 64 C C 1.921 176.901 174.990 -0.016 0.000 1.396 64 C CA 0.020 59.016 59.018 -0.038 0.000 1.698 64 C CB -0.329 27.394 27.740 -0.030 0.000 2.572 64 C HN 0.466 nan 8.230 nan 0.000 0.604 65 E N 1.861 122.044 120.200 -0.029 0.000 2.209 65 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 65 E C 2.021 178.614 176.600 -0.012 0.000 0.993 65 E CA 1.655 58.046 56.400 -0.014 0.000 0.819 65 E CB -0.028 29.662 29.700 -0.017 0.000 0.745 65 E HN 0.879 nan 8.360 nan 0.000 0.477 66 T N -0.393 114.151 114.554 -0.017 0.000 2.881 66 T HA 0.044 4.393 4.350 -0.000 0.000 0.270 66 T C 0.477 175.173 174.700 -0.007 0.000 1.068 66 T CA 1.000 63.092 62.100 -0.014 0.000 1.131 66 T CB -0.011 68.845 68.868 -0.020 0.000 0.871 66 T HN 0.453 nan 8.240 nan 0.000 0.479 67 G N -0.202 108.598 108.800 0.001 0.000 2.340 67 G HA2 0.062 4.022 3.960 -0.000 0.000 0.527 67 G HA3 0.062 4.022 3.960 -0.000 0.000 0.527 67 G C -1.062 173.857 174.900 0.031 0.000 1.381 67 G CA -1.049 44.060 45.100 0.014 0.000 1.001 67 G HN 0.264 nan 8.290 nan 0.000 0.626 68 I N 1.658 122.265 120.570 0.061 0.000 2.578 68 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 68 I C 0.929 177.068 176.117 0.037 0.000 1.126 68 I CA 0.825 62.181 61.300 0.093 0.000 1.380 68 I CB 0.643 38.736 38.000 0.154 0.000 1.408 68 I HN 0.608 nan 8.210 nan 0.000 0.532 69 T N 3.939 118.495 114.554 0.003 0.000 2.883 69 T HA 0.576 4.926 4.350 -0.000 0.000 0.301 69 T C 0.451 175.068 174.700 -0.139 0.000 1.158 69 T CA -0.248 61.819 62.100 -0.055 0.000 1.007 69 T CB 1.783 70.618 68.868 -0.056 0.000 1.186 69 T HN 0.534 nan 8.240 nan 0.000 0.499 70 A N 1.672 124.354 122.820 -0.230 0.000 2.251 70 A HA 0.318 4.638 4.320 -0.000 0.000 0.209 70 A C 1.026 178.279 177.584 -0.551 0.000 1.187 70 A CA 0.822 52.555 52.037 -0.506 0.000 0.823 70 A CB -0.422 18.302 19.000 -0.461 0.000 0.846 70 A HN 0.984 nan 8.150 nan 0.000 0.486 71 T N -1.352 113.043 114.554 -0.264 0.000 3.410 71 T HA 0.484 4.834 4.350 -0.000 0.000 0.328 71 T C -3.067 171.586 174.700 -0.079 0.000 1.567 71 T CA -1.860 60.145 62.100 -0.159 0.000 1.626 71 T CB 0.589 69.390 68.868 -0.111 0.000 0.939 71 T HN -0.049 nan 8.240 nan 0.000 0.656 72 P HA 0.044 nan 4.420 nan 0.000 0.263 72 P C 1.615 178.896 177.300 -0.032 0.000 1.175 72 P CA -0.399 62.684 63.100 -0.029 0.000 0.761 72 P CB 0.355 32.051 31.700 -0.007 0.000 0.794 73 C N 1.725 121.003 119.300 -0.038 0.000 2.425 73 C HA 0.090 4.550 4.460 -0.000 0.000 0.277 73 C C 1.966 176.934 174.990 -0.037 0.000 1.280 73 C CA 0.912 59.909 59.018 -0.035 0.000 1.744 73 C CB -1.787 25.932 27.740 -0.035 0.000 1.989 73 C HN 0.776 nan 8.230 nan 0.000 0.491 74 G N 0.053 108.824 108.800 -0.048 0.000 2.179 74 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 74 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 74 G C 0.777 175.643 174.900 -0.057 0.000 0.977 74 G CA 0.956 46.023 45.100 -0.054 0.000 0.641 74 G HN 1.712 nan 8.290 nan 0.000 0.533 75 V N -2.045 117.838 119.914 -0.052 0.000 3.548 75 V HA 0.391 4.511 4.120 -0.000 0.000 0.279 75 V C 1.737 177.803 176.094 -0.047 0.000 1.446 75 V CA 0.461 62.733 62.300 -0.047 0.000 1.023 75 V CB -0.857 30.944 31.823 -0.036 0.000 0.820 75 V HN 1.343 nan 8.190 nan 0.000 0.438 76 C N 0.419 119.686 119.300 -0.055 0.000 2.580 76 C HA 0.436 4.896 4.460 -0.000 0.000 0.371 76 C C 1.732 176.682 174.990 -0.066 0.000 1.308 76 C CA 0.285 59.272 59.018 -0.053 0.000 2.428 76 C CB 0.813 28.521 27.740 -0.054 0.000 2.529 76 C HN 0.519 nan 8.230 nan 0.000 0.657 77 D N 1.215 121.587 120.400 -0.047 0.000 2.123 77 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 77 D C 1.746 177.988 176.300 -0.097 0.000 0.992 77 D CA 1.715 55.691 54.000 -0.040 0.000 0.833 77 D CB -0.365 40.438 40.800 0.005 0.000 0.954 77 D HN 0.667 nan 8.370 nan 0.000 0.455 78 N N 0.312 118.918 118.700 -0.156 0.000 2.069 78 N HA -0.120 4.620 4.740 -0.000 0.000 0.191 78 N C 1.993 177.178 175.510 -0.542 0.000 1.031 78 N CA 0.700 53.466 53.050 -0.474 0.000 0.852 78 N CB -0.832 37.422 38.487 -0.390 0.000 1.018 78 N HN 0.204 nan 8.380 nan 0.000 0.423 79 C N 0.864 119.985 119.300 -0.298 0.000 2.429 79 C HA -0.019 4.441 4.460 -0.000 0.000 0.277 79 C C 2.626 177.507 174.990 -0.183 0.000 1.262 79 C CA 0.420 59.302 59.018 -0.226 0.000 1.733 79 C CB -0.852 26.806 27.740 -0.136 0.000 2.010 79 C HN 0.471 nan 8.230 nan 0.000 0.483 80 R N 0.552 120.969 120.500 -0.138 0.000 2.073 80 R HA -0.132 4.207 4.340 -0.000 0.000 0.234 80 R C 2.094 178.343 176.300 -0.085 0.000 1.134 80 R CA 1.440 57.483 56.100 -0.094 0.000 0.952 80 R CB -0.373 29.890 30.300 -0.063 0.000 0.850 80 R HN 0.648 nan 8.270 nan 0.000 0.433 81 E N 0.594 120.741 120.200 -0.089 0.000 2.077 81 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 81 E C 2.020 178.612 176.600 -0.013 0.000 0.989 81 E CA 0.984 57.380 56.400 -0.008 0.000 0.800 81 E CB -0.059 29.718 29.700 0.129 0.000 0.746 81 E HN 0.310 nan 8.360 nan 0.000 0.452 82 I N 0.917 121.390 120.570 -0.161 0.000 2.226 82 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 82 I C 2.460 178.540 176.117 -0.062 0.000 1.100 82 I CA 0.929 62.164 61.300 -0.107 0.000 1.374 82 I CB -0.106 37.749 38.000 -0.242 0.000 1.057 82 I HN 0.074 nan 8.210 nan 0.000 0.413 83 E N 1.097 121.245 120.200 -0.087 0.000 2.058 83 E HA -0.261 4.088 4.350 -0.000 0.000 0.194 83 E C 2.113 178.684 176.600 -0.047 0.000 0.997 83 E CA 1.641 57.998 56.400 -0.071 0.000 0.801 83 E CB -0.167 29.485 29.700 -0.080 0.000 0.746 83 E HN 0.487 nan 8.360 nan 0.000 0.450 84 Q N -1.538 118.242 119.800 -0.033 0.000 2.436 84 Q HA 0.092 4.432 4.340 -0.000 0.000 0.209 84 Q C 1.051 177.049 176.000 -0.003 0.000 0.965 84 Q CA 0.625 56.418 55.803 -0.018 0.000 0.910 84 Q CB 0.270 29.003 28.738 -0.008 0.000 0.980 84 Q HN 0.430 nan 8.270 nan 0.000 0.491 85 G N 1.459 110.264 108.800 0.009 0.000 2.143 85 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 85 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 85 G C 0.470 175.393 174.900 0.038 0.000 0.991 85 G CA 0.284 45.397 45.100 0.021 0.000 0.689 85 G HN 0.155 nan 8.290 nan 0.000 0.522 86 R N -0.687 119.849 120.500 0.060 0.000 2.767 86 R HA 0.468 4.808 4.340 -0.000 0.000 0.377 86 R C -0.348 176.031 176.300 0.131 0.000 1.151 86 R CA -0.923 55.215 56.100 0.063 0.000 1.046 86 R CB -0.396 29.927 30.300 0.039 0.000 1.404 86 R HN 0.240 nan 8.270 nan 0.000 0.580 87 F N -0.029 119.895 119.950 -0.042 0.000 2.405 87 F HA 0.181 4.708 4.527 -0.000 0.000 0.355 87 F C 1.305 177.072 175.800 -0.055 0.000 1.121 87 F CA -0.999 56.975 58.000 -0.043 0.000 1.112 87 F CB 1.217 40.191 39.000 -0.042 0.000 1.126 87 F HN -0.111 nan 8.300 nan 0.000 0.481 88 V N 4.808 124.430 119.914 -0.487 0.000 2.688 88 V HA -0.202 3.918 4.120 -0.000 0.000 0.256 88 V C 0.994 176.741 176.094 -0.578 0.000 1.084 88 V CA 2.385 64.414 62.300 -0.453 0.000 1.103 88 V CB -0.360 31.248 31.823 -0.358 0.000 0.688 88 V HN 0.743 nan 8.190 nan 0.000 0.480 89 D N -0.168 119.607 120.400 -1.041 0.000 2.368 89 D HA 0.212 4.851 4.640 -0.000 0.000 0.218 89 D C 0.018 176.151 176.300 -0.278 0.000 1.112 89 D CA -0.022 53.606 54.000 -0.620 0.000 0.834 89 D CB 0.806 41.279 40.800 -0.545 0.000 0.953 89 D HN 0.417 nan 8.370 nan 0.000 0.505 90 L N 1.461 122.586 121.223 -0.165 0.000 2.366 90 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 90 L C -0.949 175.841 176.870 -0.133 0.000 1.010 90 L CA -0.451 54.379 54.840 -0.015 0.000 0.879 90 L CB 0.673 42.850 42.059 0.197 0.000 1.228 90 L HN -0.170 nan 8.230 nan 0.000 0.439 91 I N 3.940 124.334 120.570 -0.293 0.000 2.291 91 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 91 I C 0.225 176.275 176.117 -0.111 0.000 1.064 91 I CA -0.228 60.907 61.300 -0.275 0.000 1.269 91 I CB 0.710 38.380 38.000 -0.550 0.000 1.418 91 I HN 0.558 nan 8.210 nan 0.000 0.485 92 E N 6.934 127.113 120.200 -0.035 0.000 2.194 92 E HA 0.454 4.804 4.350 -0.000 0.000 0.284 92 E C -0.684 175.944 176.600 0.048 0.000 1.035 92 E CA -0.283 56.129 56.400 0.019 0.000 0.836 92 E CB 1.442 31.149 29.700 0.013 0.000 1.070 92 E HN 0.478 nan 8.360 nan 0.000 0.401 93 I N 2.679 123.301 120.570 0.087 0.000 2.433 93 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 93 I C -0.548 175.608 176.117 0.067 0.000 1.001 93 I CA -0.717 60.636 61.300 0.090 0.000 1.119 93 I CB 1.724 39.809 38.000 0.141 0.000 1.289 93 I HN 0.378 nan 8.210 nan 0.000 0.438 94 D N 5.085 125.509 120.400 0.041 0.000 2.472 94 D HA 0.413 5.053 4.640 -0.000 0.000 0.234 94 D C 0.697 176.998 176.300 0.002 0.000 1.088 94 D CA -0.358 53.657 54.000 0.024 0.000 0.882 94 D CB 1.816 42.626 40.800 0.016 0.000 1.037 94 D HN 0.614 nan 8.370 nan 0.000 0.520 95 A N 3.178 125.991 122.820 -0.011 0.000 2.067 95 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 95 A C 1.896 179.434 177.584 -0.078 0.000 1.158 95 A CA 1.424 53.426 52.037 -0.057 0.000 0.661 95 A CB -0.138 18.809 19.000 -0.088 0.000 0.801 95 A HN 0.557 nan 8.150 nan 0.000 0.452 96 A N -0.775 122.010 122.820 -0.058 0.000 2.208 96 A HA 0.298 4.618 4.320 -0.000 0.000 0.209 96 A C 1.356 178.921 177.584 -0.031 0.000 1.161 96 A CA 0.728 52.732 52.037 -0.055 0.000 0.782 96 A CB -0.395 18.585 19.000 -0.033 0.000 0.816 96 A HN 0.409 nan 8.150 nan 0.000 0.477 97 S N -0.413 115.274 115.700 -0.022 0.000 2.499 97 S HA 0.288 4.758 4.470 -0.000 0.000 0.275 97 S C 1.089 175.679 174.600 -0.016 0.000 1.257 97 S CA -0.555 57.637 58.200 -0.013 0.000 1.050 97 S CB 0.419 63.617 63.200 -0.005 0.000 0.937 97 S HN 0.515 nan 8.310 nan 0.000 0.490 98 R N 2.503 122.995 120.500 -0.013 0.000 2.189 98 R HA -0.016 4.324 4.340 -0.000 0.000 0.218 98 R C 1.581 177.875 176.300 -0.010 0.000 1.074 98 R CA 1.514 57.606 56.100 -0.013 0.000 0.991 98 R CB -0.196 30.099 30.300 -0.009 0.000 0.883 98 R HN 0.626 nan 8.270 nan 0.000 0.457 99 T N 0.303 114.853 114.554 -0.007 0.000 3.035 99 T HA 0.037 4.387 4.350 -0.000 0.000 0.259 99 T C 1.000 175.698 174.700 -0.003 0.000 1.078 99 T CA 0.784 62.882 62.100 -0.004 0.000 1.132 99 T CB 0.211 69.078 68.868 -0.002 0.000 0.900 99 T HN 0.148 nan 8.240 nan 0.000 0.480 100 K N 2.131 122.529 120.400 -0.003 0.000 2.675 100 K HA 0.236 4.556 4.320 -0.000 0.000 0.213 100 K C 1.600 178.199 176.600 -0.001 0.000 1.074 100 K CA -0.077 56.210 56.287 0.001 0.000 1.172 100 K CB 0.262 32.765 32.500 0.006 0.000 0.927 100 K HN 0.217 nan 8.250 nan 0.000 0.471 101 V N -1.494 118.415 119.914 -0.008 0.000 2.407 101 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 101 V C 2.137 178.228 176.094 -0.006 0.000 1.055 101 V CA 1.667 63.959 62.300 -0.013 0.000 1.049 101 V CB -0.485 31.326 31.823 -0.020 0.000 0.662 101 V HN 0.394 nan 8.190 nan 0.000 0.455 102 E N 0.479 120.677 120.200 -0.002 0.000 2.028 102 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 102 E C 2.013 178.623 176.600 0.016 0.000 0.984 102 E CA 1.273 57.675 56.400 0.003 0.000 0.800 102 E CB -0.139 29.561 29.700 0.001 0.000 0.758 102 E HN 0.591 nan 8.360 nan 0.000 0.448 103 D N -0.026 120.385 120.400 0.018 0.000 2.158 103 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 103 D C 1.901 178.226 176.300 0.041 0.000 0.995 103 D CA 1.483 55.501 54.000 0.029 0.000 0.846 103 D CB -0.373 40.442 40.800 0.024 0.000 0.941 103 D HN 0.208 nan 8.370 nan 0.000 0.456 104 T N 0.523 115.096 114.554 0.032 0.000 2.674 104 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 104 T C 1.972 176.697 174.700 0.043 0.000 1.039 104 T CA 1.159 63.281 62.100 0.036 0.000 1.150 104 T CB -0.004 68.869 68.868 0.009 0.000 0.864 104 T HN 0.150 nan 8.240 nan 0.000 0.427 105 R N 0.807 121.330 120.500 0.038 0.000 2.073 105 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 105 R C 1.980 178.329 176.300 0.081 0.000 1.134 105 R CA 1.918 58.059 56.100 0.068 0.000 0.952 105 R CB -0.249 30.086 30.300 0.058 0.000 0.850 105 R HN 0.299 nan 8.270 nan 0.000 0.433 106 D N 0.638 121.076 120.400 0.064 0.000 2.084 106 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 106 D C 2.065 178.411 176.300 0.077 0.000 0.990 106 D CA 1.209 55.249 54.000 0.067 0.000 0.826 106 D CB -0.314 40.516 40.800 0.051 0.000 0.971 106 D HN 0.264 nan 8.370 nan 0.000 0.453 107 L N 0.397 121.673 121.223 0.088 0.000 2.079 107 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 107 L C 2.531 179.470 176.870 0.116 0.000 1.081 107 L CA 0.761 55.680 54.840 0.132 0.000 0.752 107 L CB -0.337 41.826 42.059 0.174 0.000 0.896 107 L HN 0.042 nan 8.230 nan 0.000 0.433 108 L N -0.835 120.431 121.223 0.072 0.000 2.291 108 L HA -0.133 4.207 4.340 -0.000 0.000 0.214 108 L C 1.612 178.473 176.870 -0.014 0.000 1.120 108 L CA 0.609 55.452 54.840 0.004 0.000 0.799 108 L CB -0.372 41.682 42.059 -0.009 0.000 0.925 108 L HN 0.265 nan 8.230 nan 0.000 0.446 109 D N -0.283 120.135 120.400 0.030 0.000 2.348 109 D HA 0.007 4.646 4.640 -0.000 0.000 0.211 109 D C 0.471 176.805 176.300 0.056 0.000 0.998 109 D CA 0.601 54.625 54.000 0.040 0.000 0.873 109 D CB 0.219 41.074 40.800 0.091 0.000 0.925 109 D HN 0.273 nan 8.370 nan 0.000 0.524 110 N N 0.767 119.502 118.700 0.058 0.000 2.723 110 N HA 0.096 4.836 4.740 -0.000 0.000 0.290 110 N C -0.630 174.916 175.510 0.060 0.000 1.882 110 N CA -0.099 52.997 53.050 0.076 0.000 0.851 110 N CB 2.199 40.736 38.487 0.084 0.000 1.234 110 N HN -0.151 nan 8.380 nan 0.000 0.491 111 V N 1.492 121.385 119.914 -0.034 0.000 2.617 111 V HA -0.077 4.043 4.120 -0.000 0.000 0.304 111 V C 0.871 176.859 176.094 -0.176 0.000 1.040 111 V CA 0.343 62.543 62.300 -0.166 0.000 1.149 111 V CB 0.571 32.124 31.823 -0.451 0.000 0.914 111 V HN 0.325 nan 8.190 nan 0.000 0.487 112 Q N 4.161 123.978 119.800 0.028 0.000 2.441 112 Q HA 0.225 4.565 4.340 -0.000 0.000 0.234 112 Q C -0.101 175.912 176.000 0.021 0.000 1.078 112 Q CA -0.214 55.620 55.803 0.052 0.000 0.907 112 Q CB 0.393 29.173 28.738 0.070 0.000 1.269 112 Q HN 0.771 nan 8.270 nan 0.000 0.502 113 Y N 0.723 121.113 120.300 0.150 0.000 2.483 113 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 113 Y C 1.007 177.016 175.900 0.183 0.000 1.143 113 Y CA 0.420 58.619 58.100 0.165 0.000 1.289 113 Y CB 0.424 38.966 38.460 0.136 0.000 0.983 113 Y HN 0.484 nan 8.280 nan 0.000 0.556 114 A N 0.365 123.326 122.820 0.235 0.000 2.311 114 A HA 0.556 4.876 4.320 -0.000 0.000 0.306 114 A C -2.611 174.999 177.584 0.044 0.000 1.189 114 A CA -1.841 50.273 52.037 0.130 0.000 0.791 114 A CB 0.422 19.473 19.000 0.085 0.000 1.172 114 A HN -0.112 nan 8.150 nan 0.000 0.481 115 P HA 0.265 nan 4.420 nan 0.000 0.267 115 P C 0.792 178.046 177.300 -0.075 0.000 1.200 115 P CA 0.334 63.409 63.100 -0.042 0.000 0.772 115 P CB 1.087 32.768 31.700 -0.033 0.000 0.855 116 A N 2.350 125.103 122.820 -0.111 0.000 1.997 116 A HA 0.014 4.334 4.320 -0.000 0.000 0.212 116 A C 2.025 179.550 177.584 -0.099 0.000 1.178 116 A CA 1.202 53.178 52.037 -0.101 0.000 0.698 116 A CB -0.320 18.610 19.000 -0.117 0.000 0.842 116 A HN 0.454 nan 8.150 nan 0.000 0.458 117 R N -1.177 119.247 120.500 -0.127 0.000 2.610 117 R HA 0.277 4.617 4.340 -0.000 0.000 0.171 117 R C 1.267 177.583 176.300 0.026 0.000 0.892 117 R CA 0.971 57.038 56.100 -0.055 0.000 1.086 117 R CB -0.516 29.745 30.300 -0.064 0.000 1.320 117 R HN 0.342 nan 8.270 nan 0.000 0.582 118 G N 0.400 109.250 108.800 0.084 0.000 2.580 118 G HA2 0.169 4.129 3.960 -0.000 0.000 0.278 118 G HA3 0.169 4.129 3.960 -0.000 0.000 0.278 118 G C 0.095 175.010 174.900 0.026 0.000 1.212 118 G CA -0.139 45.074 45.100 0.188 0.000 0.939 118 G HN 0.443 nan 8.290 nan 0.000 0.513 119 R N -1.557 118.918 120.500 -0.042 0.000 2.235 119 R HA 0.135 4.475 4.340 -0.000 0.000 0.213 119 R C -0.462 175.586 176.300 -0.419 0.000 1.059 119 R CA 0.594 56.521 56.100 -0.287 0.000 0.997 119 R CB -0.091 29.952 30.300 -0.429 0.000 0.884 119 R HN 0.225 nan 8.270 nan 0.000 0.462 120 F N 0.373 120.386 119.950 0.105 0.000 2.576 120 F HA 0.439 4.966 4.527 -0.000 0.000 0.313 120 F C -0.047 175.792 175.800 0.064 0.000 1.078 120 F CA -1.468 56.602 58.000 0.117 0.000 0.921 120 F CB 1.741 40.817 39.000 0.127 0.000 1.232 120 F HN -0.327 nan 8.300 nan 0.000 0.459 121 K N 2.515 123.074 120.400 0.266 0.000 2.281 121 K HA 0.550 4.869 4.320 -0.000 0.000 0.272 121 K C -1.289 175.324 176.600 0.022 0.000 1.048 121 K CA -0.293 56.030 56.287 0.060 0.000 0.898 121 K CB 1.149 33.684 32.500 0.059 0.000 1.128 121 K HN 0.454 nan 8.250 nan 0.000 0.460 122 V N 5.645 125.515 119.914 -0.075 0.000 2.435 122 V HA 0.352 4.472 4.120 -0.000 0.000 0.290 122 V C -0.752 175.186 176.094 -0.261 0.000 1.030 122 V CA -0.876 61.371 62.300 -0.089 0.000 0.881 122 V CB 0.926 32.756 31.823 0.013 0.000 0.983 122 V HN 0.491 nan 8.190 nan 0.000 0.445 123 Y N 4.349 124.495 120.300 -0.257 0.000 2.335 123 Y HA 0.560 5.110 4.550 -0.000 0.000 0.338 123 Y C -0.073 175.817 175.900 -0.017 0.000 0.977 123 Y CA -0.796 57.198 58.100 -0.176 0.000 1.114 123 Y CB 1.744 40.006 38.460 -0.330 0.000 1.182 123 Y HN 0.395 nan 8.280 nan 0.000 0.463 124 L N 6.446 127.760 121.223 0.151 0.000 2.316 124 L HA 0.576 4.916 4.340 -0.000 0.000 0.280 124 L C -1.323 175.651 176.870 0.173 0.000 1.006 124 L CA -0.470 54.461 54.840 0.153 0.000 0.836 124 L CB 0.557 42.662 42.059 0.077 0.000 1.221 124 L HN 0.666 nan 8.230 nan 0.000 0.418 125 I N 4.616 125.311 120.570 0.209 0.000 2.354 125 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 125 I C -0.432 175.772 176.117 0.145 0.000 1.007 125 I CA -0.734 60.673 61.300 0.178 0.000 1.167 125 I CB 1.609 39.731 38.000 0.203 0.000 1.320 125 I HN 0.441 nan 8.210 nan 0.000 0.458 126 D N 6.795 127.257 120.400 0.105 0.000 2.302 126 D HA 0.089 4.729 4.640 -0.000 0.000 0.248 126 D C 0.394 176.742 176.300 0.081 0.000 1.094 126 D CA -0.039 54.016 54.000 0.091 0.000 0.897 126 D CB 0.775 41.611 40.800 0.060 0.000 1.200 126 D HN 0.387 nan 8.370 nan 0.000 0.429 127 E N 0.423 120.692 120.200 0.114 0.000 2.183 127 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 127 E C 0.994 177.619 176.600 0.043 0.000 1.364 127 E CA 0.129 56.599 56.400 0.117 0.000 0.700 127 E CB -1.459 28.247 29.700 0.009 0.000 1.106 127 E HN 0.376 nan 8.360 nan 0.000 0.347 128 V N 1.410 121.418 119.914 0.157 0.000 2.688 128 V HA -0.288 3.832 4.120 -0.000 0.000 0.256 128 V C 2.376 178.599 176.094 0.216 0.000 1.084 128 V CA 2.502 64.896 62.300 0.156 0.000 1.103 128 V CB -0.503 31.441 31.823 0.202 0.000 0.688 128 V HN 0.676 nan 8.190 nan 0.000 0.480 129 H N -1.380 117.812 119.070 0.203 0.000 2.546 129 H HA -0.011 4.545 4.556 -0.000 0.000 0.277 129 H C 1.674 177.133 175.328 0.219 0.000 1.004 129 H CA 1.172 57.403 56.048 0.304 0.000 1.231 129 H CB -0.431 29.443 29.762 0.187 0.000 1.382 129 H HN 0.482 nan 8.280 nan 0.000 0.580 130 M N 1.102 120.446 119.600 -0.426 0.000 2.494 130 M HA 0.208 4.687 4.480 -0.000 0.000 0.232 130 M C 0.192 176.317 176.300 -0.292 0.000 1.137 130 M CA -0.082 55.008 55.300 -0.349 0.000 1.012 130 M CB 0.405 32.775 32.600 -0.384 0.000 1.567 130 M HN 0.056 nan 8.290 nan 0.000 0.486 131 L N 0.574 121.535 121.223 -0.437 0.000 2.452 131 L HA 0.110 4.450 4.340 -0.000 0.000 0.267 131 L C 1.096 177.537 176.870 -0.714 0.000 1.188 131 L CA -0.442 54.042 54.840 -0.593 0.000 0.821 131 L CB 0.685 42.283 42.059 -0.768 0.000 1.102 131 L HN 0.257 nan 8.230 nan 0.000 0.470 132 S N 1.914 117.362 115.700 -0.420 0.000 2.589 132 S HA 0.089 4.559 4.470 -0.000 0.000 0.265 132 S C 1.025 175.454 174.600 -0.285 0.000 1.342 132 S CA -0.389 57.662 58.200 -0.249 0.000 1.005 132 S CB 0.945 64.095 63.200 -0.083 0.000 0.909 132 S HN 0.707 nan 8.310 nan 0.000 0.555 133 R N -0.229 120.254 120.500 -0.028 0.000 2.120 133 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 133 R C 2.230 178.605 176.300 0.125 0.000 1.123 133 R CA 1.744 57.934 56.100 0.150 0.000 0.975 133 R CB -0.732 29.662 30.300 0.156 0.000 0.866 133 R HN 0.961 nan 8.270 nan 0.000 0.446 134 H N -0.194 118.872 119.070 -0.008 0.000 2.290 134 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 134 H C 1.910 177.230 175.328 -0.012 0.000 1.087 134 H CA 2.566 58.612 56.048 -0.005 0.000 1.291 134 H CB -0.195 29.554 29.762 -0.022 0.000 1.369 134 H HN 0.079 nan 8.280 nan 0.000 0.492 135 S N -0.290 115.362 115.700 -0.080 0.000 2.383 135 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 135 S C 1.856 176.405 174.600 -0.084 0.000 1.026 135 S CA 0.877 58.990 58.200 -0.145 0.000 0.981 135 S CB -0.379 62.744 63.200 -0.129 0.000 0.818 135 S HN 0.289 nan 8.310 nan 0.000 0.472 136 F N 2.864 122.771 119.950 -0.072 0.000 2.065 136 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 136 F C 2.335 178.069 175.800 -0.109 0.000 1.112 136 F CA 0.744 58.699 58.000 -0.075 0.000 1.212 136 F CB -0.997 37.979 39.000 -0.041 0.000 0.975 136 F HN 0.219 nan 8.300 nan 0.000 0.476 137 N N 0.029 118.788 118.700 0.097 0.000 2.223 137 N HA -0.125 4.615 4.740 -0.000 0.000 0.185 137 N C 1.998 177.458 175.510 -0.084 0.000 1.016 137 N CA 1.210 54.253 53.050 -0.012 0.000 0.863 137 N CB -0.465 38.006 38.487 -0.027 0.000 0.983 137 N HN 0.264 nan 8.380 nan 0.000 0.429 138 A N 1.380 124.108 122.820 -0.153 0.000 1.877 138 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 138 A C 2.260 179.757 177.584 -0.145 0.000 1.186 138 A CA 1.010 52.946 52.037 -0.167 0.000 0.620 138 A CB -0.788 18.085 19.000 -0.211 0.000 0.822 138 A HN 0.226 nan 8.150 nan 0.000 0.443 139 L N -0.302 120.831 121.223 -0.149 0.000 1.994 139 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 139 L C 2.287 179.025 176.870 -0.220 0.000 1.071 139 L CA 1.839 56.530 54.840 -0.248 0.000 0.745 139 L CB -0.569 41.383 42.059 -0.177 0.000 0.892 139 L HN 0.464 nan 8.230 nan 0.000 0.431 140 L N -0.284 120.871 121.223 -0.114 0.000 1.978 140 L HA -0.358 3.982 4.340 -0.000 0.000 0.218 140 L C 2.692 179.509 176.870 -0.088 0.000 1.075 140 L CA 2.441 57.225 54.840 -0.092 0.000 0.767 140 L CB -0.516 41.506 42.059 -0.060 0.000 0.890 140 L HN 0.441 nan 8.230 nan 0.000 0.434 141 K N -1.129 119.226 120.400 -0.075 0.000 2.089 141 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 141 K C 1.805 178.380 176.600 -0.042 0.000 1.048 141 K CA 2.419 58.676 56.287 -0.051 0.000 0.926 141 K CB -0.087 32.387 32.500 -0.043 0.000 0.714 141 K HN 0.416 nan 8.250 nan 0.000 0.448 142 T N 1.234 115.740 114.554 -0.079 0.000 2.857 142 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 142 T C 1.640 176.317 174.700 -0.039 0.000 1.048 142 T CA 0.918 62.990 62.100 -0.047 0.000 1.139 142 T CB 0.002 68.784 68.868 -0.144 0.000 0.874 142 T HN 0.167 nan 8.240 nan 0.000 0.455 143 L N 0.637 121.798 121.223 -0.103 0.000 2.291 143 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 143 L C 2.462 179.319 176.870 -0.022 0.000 1.120 143 L CA 1.128 55.967 54.840 -0.002 0.000 0.799 143 L CB -0.459 41.586 42.059 -0.024 0.000 0.925 143 L HN 0.358 nan 8.230 nan 0.000 0.446 144 E N -0.281 119.894 120.200 -0.043 0.000 2.170 144 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 144 E C 0.955 177.520 176.600 -0.058 0.000 0.981 144 E CA 0.385 56.755 56.400 -0.051 0.000 0.830 144 E CB 0.334 30.010 29.700 -0.039 0.000 0.775 144 E HN 0.251 nan 8.360 nan 0.000 0.470 145 E N 1.354 121.535 120.200 -0.031 0.000 3.588 145 E HA 0.154 4.504 4.350 -0.000 0.000 0.213 145 E C -2.554 174.060 176.600 0.023 0.000 1.168 145 E CA -2.176 54.216 56.400 -0.014 0.000 1.254 145 E CB 0.763 30.468 29.700 0.008 0.000 1.302 145 E HN -0.090 nan 8.360 nan 0.000 0.429 146 P HA -0.068 nan 4.420 nan 0.000 0.227 146 P C -2.471 174.889 177.300 0.100 0.000 1.036 146 P CA -0.260 62.846 63.100 0.010 0.000 1.080 146 P CB -0.342 31.249 31.700 -0.182 0.000 1.046 147 P HA 0.015 nan 4.420 nan 0.000 0.264 147 P C 0.166 177.570 177.300 0.173 0.000 1.193 147 P CA 0.375 63.649 63.100 0.290 0.000 0.763 147 P CB 0.472 32.439 31.700 0.445 0.000 0.810 148 E N 2.710 122.932 120.200 0.036 0.000 2.349 148 E HA 0.095 4.445 4.350 -0.000 0.000 0.262 148 E C 0.496 177.012 176.600 -0.140 0.000 1.088 148 E CA 0.028 56.349 56.400 -0.131 0.000 0.899 148 E CB 0.088 29.567 29.700 -0.369 0.000 1.044 148 E HN 0.484 nan 8.360 nan 0.000 0.420 149 H N -0.489 118.784 119.070 0.339 0.000 3.863 149 H HA -0.135 4.421 4.556 -0.000 0.000 0.160 149 H C -0.591 174.969 175.328 0.386 0.000 0.870 149 H CA 0.940 57.207 56.048 0.365 0.000 1.247 149 H CB -1.978 27.894 29.762 0.182 0.000 0.921 149 H HN 0.160 nan 8.280 nan 0.000 0.421 150 V N 2.326 122.453 119.914 0.354 0.000 2.444 150 V HA 0.484 4.604 4.120 -0.000 0.000 0.294 150 V C 0.252 176.413 176.094 0.111 0.000 1.022 150 V CA -0.857 61.563 62.300 0.199 0.000 0.850 150 V CB 2.589 34.486 31.823 0.123 0.000 0.992 150 V HN 0.007 nan 8.190 nan 0.000 0.426 151 K N 3.890 124.287 120.400 -0.005 0.000 2.316 151 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 151 K C -1.326 175.198 176.600 -0.127 0.000 0.934 151 K CA -0.459 55.832 56.287 0.007 0.000 0.802 151 K CB 2.415 34.893 32.500 -0.037 0.000 1.171 151 K HN 0.435 nan 8.250 nan 0.000 0.426 152 F N 2.305 122.369 119.950 0.189 0.000 2.426 152 F HA 0.410 4.936 4.527 -0.000 0.000 0.348 152 F C 0.111 176.036 175.800 0.208 0.000 1.124 152 F CA -0.735 57.373 58.000 0.181 0.000 1.008 152 F CB 1.072 40.130 39.000 0.097 0.000 1.139 152 F HN 0.085 nan 8.300 nan 0.000 0.452 153 L N 5.996 127.427 121.223 0.347 0.000 2.318 153 L HA 0.503 4.843 4.340 -0.000 0.000 0.277 153 L C -0.777 176.292 176.870 0.332 0.000 1.008 153 L CA -0.451 54.599 54.840 0.350 0.000 0.846 153 L CB 0.863 43.088 42.059 0.276 0.000 1.220 153 L HN 0.475 nan 8.230 nan 0.000 0.423 154 L N 2.790 124.193 121.223 0.301 0.000 2.334 154 L HA 0.897 5.237 4.340 -0.000 0.000 0.275 154 L C 0.194 177.232 176.870 0.280 0.000 1.036 154 L CA -0.522 54.466 54.840 0.247 0.000 0.807 154 L CB 1.743 43.903 42.059 0.170 0.000 1.231 154 L HN 0.646 nan 8.230 nan 0.000 0.438 155 A N 1.195 124.159 122.820 0.239 0.000 2.435 155 A HA 0.852 5.172 4.320 -0.000 0.000 0.304 155 A C -0.622 177.083 177.584 0.202 0.000 1.064 155 A CA -0.503 51.676 52.037 0.237 0.000 0.727 155 A CB 2.200 21.316 19.000 0.194 0.000 1.284 155 A HN 0.618 nan 8.150 nan 0.000 0.415 156 T N -0.527 114.139 114.554 0.186 0.000 3.003 156 T HA 0.432 4.782 4.350 -0.000 0.000 0.354 156 T C 0.517 175.284 174.700 0.112 0.000 1.651 156 T CA 0.436 62.654 62.100 0.196 0.000 1.103 156 T CB 0.919 69.924 68.868 0.228 0.000 1.450 156 T HN 1.429 nan 8.240 nan 0.000 0.484 157 T N -0.414 114.186 114.554 0.077 0.000 3.081 157 T HA 0.287 4.637 4.350 -0.000 0.000 0.250 157 T C 0.315 174.962 174.700 -0.088 0.000 1.100 157 T CA 0.249 62.361 62.100 0.020 0.000 1.038 157 T CB 0.086 68.983 68.868 0.048 0.000 0.962 157 T HN 0.463 nan 8.240 nan 0.000 0.516 158 D N 1.660 121.909 120.400 -0.252 0.000 2.621 158 D HA 0.266 4.906 4.640 -0.000 0.000 0.274 158 D C -2.062 174.110 176.300 -0.212 0.000 1.215 158 D CA -1.994 51.821 54.000 -0.310 0.000 0.810 158 D CB 1.693 42.167 40.800 -0.542 0.000 1.248 158 D HN -0.015 nan 8.370 nan 0.000 0.517 159 P HA -0.201 nan 4.420 nan 0.000 0.216 159 P C 1.405 178.685 177.300 -0.032 0.000 1.150 159 P CA 1.125 64.212 63.100 -0.022 0.000 0.843 159 P CB 0.442 32.151 31.700 0.015 0.000 0.787 160 Q N -0.210 119.567 119.800 -0.038 0.000 2.181 160 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 160 Q C 1.833 177.813 176.000 -0.034 0.000 0.980 160 Q CA 1.068 56.850 55.803 -0.035 0.000 0.862 160 Q CB -0.406 28.314 28.738 -0.030 0.000 0.905 160 Q HN 0.356 nan 8.270 nan 0.000 0.429 161 K N 0.408 120.791 120.400 -0.029 0.000 2.515 161 K HA 0.032 4.352 4.320 -0.000 0.000 0.196 161 K C 0.806 177.433 176.600 0.045 0.000 1.038 161 K CA 0.344 56.654 56.287 0.038 0.000 0.967 161 K CB -0.088 32.475 32.500 0.106 0.000 0.780 161 K HN 0.236 nan 8.250 nan 0.000 0.483 162 L N 2.256 123.467 121.223 -0.019 0.000 2.350 162 L HA 0.190 4.530 4.340 -0.000 0.000 0.275 162 L C -2.158 174.552 176.870 -0.267 0.000 1.099 162 L CA -2.124 52.622 54.840 -0.157 0.000 0.808 162 L CB 0.844 42.857 42.059 -0.077 0.000 1.149 162 L HN -0.201 nan 8.230 nan 0.000 0.442 163 P HA -0.069 nan 4.420 nan 0.000 0.263 163 P C 0.821 177.985 177.300 -0.227 0.000 1.195 163 P CA -0.166 62.717 63.100 -0.362 0.000 0.762 163 P CB 0.666 32.065 31.700 -0.503 0.000 0.799 164 V N 1.655 121.480 119.914 -0.149 0.000 2.867 164 V HA -0.227 3.893 4.120 -0.000 0.000 0.260 164 V C 1.651 177.685 176.094 -0.101 0.000 1.099 164 V CA 2.308 64.544 62.300 -0.107 0.000 1.122 164 V CB -2.112 29.665 31.823 -0.078 0.000 0.708 164 V HN 0.604 nan 8.190 nan 0.000 0.490 165 T N -1.376 113.111 114.554 -0.112 0.000 2.867 165 T HA 0.016 4.366 4.350 -0.000 0.000 0.268 165 T C 1.810 176.454 174.700 -0.093 0.000 1.057 165 T CA 1.796 63.841 62.100 -0.091 0.000 1.136 165 T CB -0.452 68.363 68.868 -0.088 0.000 0.874 165 T HN 0.519 nan 8.240 nan 0.000 0.466 166 I N 0.270 120.764 120.570 -0.126 0.000 2.385 166 I HA 0.133 4.303 4.170 -0.000 0.000 0.244 166 I C 2.459 178.515 176.117 -0.102 0.000 1.089 166 I CA 0.430 61.661 61.300 -0.114 0.000 1.410 166 I CB -0.286 37.629 38.000 -0.142 0.000 1.117 166 I HN 0.137 nan 8.210 nan 0.000 0.429 167 L N 0.454 121.611 121.223 -0.111 0.000 2.043 167 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 167 L C 2.693 179.502 176.870 -0.101 0.000 1.075 167 L CA 1.960 56.739 54.840 -0.101 0.000 0.752 167 L CB -0.278 41.727 42.059 -0.090 0.000 0.891 167 L HN 0.267 nan 8.230 nan 0.000 0.432 168 S N -0.834 114.815 115.700 -0.084 0.000 2.469 168 S HA -0.176 4.294 4.470 -0.000 0.000 0.238 168 S C 1.873 176.438 174.600 -0.058 0.000 0.998 168 S CA 1.034 59.192 58.200 -0.070 0.000 0.957 168 S CB -0.256 62.911 63.200 -0.055 0.000 0.764 168 S HN 0.446 nan 8.310 nan 0.000 0.514 169 R N -0.420 120.048 120.500 -0.052 0.000 2.359 169 R HA 0.368 4.708 4.340 -0.000 0.000 0.231 169 R C -0.194 176.034 176.300 -0.121 0.000 0.913 169 R CA 0.032 56.134 56.100 0.003 0.000 1.075 169 R CB -0.036 30.312 30.300 0.080 0.000 1.087 169 R HN 0.364 nan 8.270 nan 0.000 0.515 170 C N -0.535 118.653 119.300 -0.187 0.000 2.486 170 C HA 0.484 4.944 4.460 -0.000 0.000 0.348 170 C C -0.551 174.225 174.990 -0.356 0.000 1.203 170 C CA -1.293 57.546 59.018 -0.298 0.000 1.911 170 C CB 1.198 28.797 27.740 -0.234 0.000 2.340 170 C HN 0.182 nan 8.230 nan 0.000 0.511 171 L N 2.152 123.078 121.223 -0.495 0.000 2.257 171 L HA 0.365 4.705 4.340 -0.000 0.000 0.290 171 L C -0.225 176.226 176.870 -0.697 0.000 1.044 171 L CA 0.557 55.016 54.840 -0.635 0.000 0.810 171 L CB 0.441 42.022 42.059 -0.796 0.000 1.193 171 L HN 0.696 nan 8.230 nan 0.000 0.425 172 Q N 4.564 123.936 119.800 -0.714 0.000 2.256 172 Q HA 0.510 4.850 4.340 -0.000 0.000 0.254 172 Q C -1.455 173.970 176.000 -0.958 0.000 0.916 172 Q CA 0.076 55.464 55.803 -0.693 0.000 0.932 172 Q CB 1.460 29.913 28.738 -0.475 0.000 1.207 172 Q HN 0.438 nan 8.270 nan 0.000 0.426 173 F N 1.530 121.191 119.950 -0.480 0.000 2.518 173 F HA 0.292 4.819 4.527 -0.000 0.000 0.323 173 F C -0.105 175.522 175.800 -0.289 0.000 1.129 173 F CA -0.805 57.019 58.000 -0.294 0.000 0.920 173 F CB 1.374 40.289 39.000 -0.142 0.000 1.160 173 F HN 0.468 nan 8.300 nan 0.000 0.440 174 H N 5.022 124.250 119.070 0.263 0.000 2.690 174 H HA 0.335 4.891 4.556 -0.000 0.000 0.289 174 H C -0.628 174.881 175.328 0.301 0.000 1.089 174 H CA -0.658 55.525 56.048 0.225 0.000 1.299 174 H CB 1.312 31.169 29.762 0.159 0.000 1.405 174 H HN 0.359 nan 8.280 nan 0.000 0.463 175 L N 3.319 124.719 121.223 0.295 0.000 2.350 175 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 175 L C 0.610 177.605 176.870 0.209 0.000 1.099 175 L CA 0.011 54.993 54.840 0.236 0.000 0.808 175 L CB 0.676 42.820 42.059 0.142 0.000 1.149 175 L HN 0.397 nan 8.230 nan 0.000 0.442 176 K N 1.672 122.190 120.400 0.197 0.000 2.110 176 K HA 0.720 5.040 4.320 -0.000 0.000 0.263 176 K C -0.010 176.640 176.600 0.083 0.000 0.975 176 K CA -0.739 55.623 56.287 0.126 0.000 0.895 176 K CB 1.333 33.897 32.500 0.106 0.000 1.060 176 K HN 0.697 nan 8.250 nan 0.000 0.448 177 A N 2.374 125.229 122.820 0.058 0.000 2.377 177 A HA 0.172 4.492 4.320 -0.000 0.000 0.274 177 A C -0.245 177.361 177.584 0.037 0.000 1.178 177 A CA 0.214 52.275 52.037 0.041 0.000 0.836 177 A CB -0.019 18.998 19.000 0.029 0.000 1.111 177 A HN 0.609 nan 8.150 nan 0.000 0.517 178 L N -0.609 120.629 121.223 0.025 0.000 2.342 178 L HA 0.354 4.694 4.340 -0.000 0.000 0.271 178 L C -0.147 176.730 176.870 0.011 0.000 1.008 178 L CA -0.881 53.971 54.840 0.019 0.000 0.818 178 L CB 1.724 43.791 42.059 0.014 0.000 1.296 178 L HN 0.861 nan 8.230 nan 0.000 0.427 179 D N 0.370 120.775 120.400 0.007 0.000 2.361 179 D HA 0.074 4.714 4.640 -0.000 0.000 0.239 179 D C 0.847 177.149 176.300 0.003 0.000 1.200 179 D CA -0.168 53.834 54.000 0.003 0.000 0.915 179 D CB 1.434 42.234 40.800 -0.001 0.000 1.170 179 D HN 0.193 nan 8.370 nan 0.000 0.444 180 V N 1.875 121.789 119.914 0.001 0.000 2.220 180 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 180 V C 2.283 178.383 176.094 0.010 0.000 1.049 180 V CA 2.400 64.702 62.300 0.003 0.000 1.003 180 V CB -0.800 31.022 31.823 -0.001 0.000 0.634 180 V HN 0.730 nan 8.190 nan 0.000 0.444 181 E N -0.745 119.463 120.200 0.013 0.000 2.147 181 E HA -0.343 4.007 4.350 -0.000 0.000 0.199 181 E C 2.307 178.931 176.600 0.039 0.000 1.005 181 E CA 1.890 58.307 56.400 0.029 0.000 0.810 181 E CB -0.147 29.569 29.700 0.027 0.000 0.736 181 E HN 0.606 nan 8.360 nan 0.000 0.460 182 Q N -0.139 119.669 119.800 0.014 0.000 2.112 182 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 182 Q C 2.106 178.124 176.000 0.030 0.000 0.987 182 Q CA 1.631 57.439 55.803 0.009 0.000 0.858 182 Q CB -0.014 28.721 28.738 -0.004 0.000 0.905 182 Q HN 0.417 nan 8.270 nan 0.000 0.420 183 I N -0.234 120.348 120.570 0.019 0.000 2.277 183 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 183 I C 2.605 178.723 176.117 0.002 0.000 1.094 183 I CA 0.536 61.840 61.300 0.006 0.000 1.393 183 I CB -0.416 37.583 38.000 -0.002 0.000 1.078 183 I HN 0.215 nan 8.210 nan 0.000 0.417 184 R N 0.973 121.480 120.500 0.012 0.000 2.112 184 R HA -0.295 4.045 4.340 -0.000 0.000 0.242 184 R C 2.354 178.650 176.300 -0.007 0.000 1.137 184 R CA 2.093 58.193 56.100 -0.001 0.000 0.944 184 R CB -1.144 29.167 30.300 0.020 0.000 0.857 184 R HN 0.440 nan 8.270 nan 0.000 0.435 185 H N 0.002 119.042 119.070 -0.050 0.000 2.422 185 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 185 H C 1.954 177.241 175.328 -0.069 0.000 1.098 185 H CA 2.211 58.228 56.048 -0.051 0.000 1.315 185 H CB 0.285 30.024 29.762 -0.039 0.000 1.382 185 H HN 0.307 nan 8.280 nan 0.000 0.523 186 Q N 0.647 120.461 119.800 0.024 0.000 2.096 186 Q HA -0.023 4.317 4.340 -0.000 0.000 0.197 186 Q C 2.707 178.616 176.000 -0.151 0.000 0.964 186 Q CA 0.970 56.744 55.803 -0.049 0.000 0.838 186 Q CB -0.339 28.378 28.738 -0.034 0.000 0.906 186 Q HN 0.467 nan 8.270 nan 0.000 0.444 187 L N 0.502 121.634 121.223 -0.152 0.000 1.990 187 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 187 L C 2.556 179.240 176.870 -0.310 0.000 1.072 187 L CA 2.075 56.788 54.840 -0.210 0.000 0.755 187 L CB -0.675 41.291 42.059 -0.155 0.000 0.889 187 L HN 0.451 nan 8.230 nan 0.000 0.432 188 E N -0.397 119.614 120.200 -0.315 0.000 2.035 188 E HA -0.356 3.994 4.350 -0.000 0.000 0.204 188 E C 2.265 178.610 176.600 -0.424 0.000 1.025 188 E CA 1.797 57.932 56.400 -0.441 0.000 0.835 188 E CB -0.288 29.193 29.700 -0.364 0.000 0.764 188 E HN 0.477 nan 8.360 nan 0.000 0.457 189 H N 0.385 119.194 119.070 -0.434 0.000 2.431 189 H HA -0.173 4.383 4.556 -0.000 0.000 0.297 189 H C 2.084 177.080 175.328 -0.553 0.000 1.115 189 H CA 1.923 57.727 56.048 -0.407 0.000 1.277 189 H CB -0.088 29.474 29.762 -0.333 0.000 1.372 189 H HN 0.290 nan 8.280 nan 0.000 0.516 190 I N 0.145 120.303 120.570 -0.687 0.000 2.406 190 I HA -0.217 3.952 4.170 -0.000 0.000 0.249 190 I C 2.490 178.223 176.117 -0.639 0.000 1.122 190 I CA 0.449 61.095 61.300 -1.089 0.000 1.431 190 I CB -0.056 37.296 38.000 -1.079 0.000 1.087 190 I HN 0.151 nan 8.210 nan 0.000 0.424 191 L N 0.311 121.256 121.223 -0.464 0.000 2.240 191 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 191 L C 2.179 178.925 176.870 -0.206 0.000 1.106 191 L CA 0.674 55.342 54.840 -0.286 0.000 0.793 191 L CB -0.625 41.251 42.059 -0.307 0.000 0.927 191 L HN 0.295 nan 8.230 nan 0.000 0.446 192 N N 0.421 118.944 118.700 -0.295 0.000 2.092 192 N HA -0.203 4.537 4.740 -0.000 0.000 0.189 192 N C 1.760 177.081 175.510 -0.316 0.000 1.040 192 N CA 1.236 54.170 53.050 -0.193 0.000 0.845 192 N CB -0.116 38.245 38.487 -0.210 0.000 1.017 192 N HN 0.303 nan 8.380 nan 0.000 0.426 193 E N 0.548 120.510 120.200 -0.397 0.000 2.209 193 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 193 E C 0.770 177.220 176.600 -0.249 0.000 0.993 193 E CA 0.848 57.058 56.400 -0.317 0.000 0.819 193 E CB 0.222 29.814 29.700 -0.180 0.000 0.745 193 E HN 0.186 nan 8.360 nan 0.000 0.477 194 E N -0.214 119.892 120.200 -0.156 0.000 2.489 194 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 194 E C -0.560 176.049 176.600 0.015 0.000 1.057 194 E CA 0.163 56.558 56.400 -0.008 0.000 0.866 194 E CB 0.128 29.879 29.700 0.085 0.000 0.916 194 E HN 0.275 nan 8.360 nan 0.000 0.500 195 H N -0.480 118.608 119.070 0.030 0.000 2.702 195 H HA -0.186 4.370 4.556 -0.000 0.000 0.328 195 H C -0.305 175.043 175.328 0.033 0.000 1.111 195 H CA 0.701 56.766 56.048 0.028 0.000 1.109 195 H CB -2.046 27.730 29.762 0.024 0.000 1.606 195 H HN 0.164 nan 8.280 nan 0.000 0.399 196 I N -0.060 120.591 120.570 0.136 0.000 2.582 196 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 196 I C 0.557 176.747 176.117 0.121 0.000 1.066 196 I CA -0.896 60.465 61.300 0.103 0.000 1.053 196 I CB 2.072 40.114 38.000 0.070 0.000 1.241 196 I HN 0.435 nan 8.210 nan 0.000 0.421 197 A N 6.255 129.115 122.820 0.067 0.000 2.524 197 A HA 0.351 4.671 4.320 -0.000 0.000 0.250 197 A C -0.312 177.301 177.584 0.049 0.000 1.078 197 A CA 0.370 52.416 52.037 0.015 0.000 0.761 197 A CB -0.294 18.701 19.000 -0.009 0.000 1.012 197 A HN 0.849 nan 8.150 nan 0.000 0.500 198 H N 0.687 119.746 119.070 -0.018 0.000 3.012 198 H HA 0.644 5.200 4.556 -0.000 0.000 0.367 198 H C -1.267 174.047 175.328 -0.023 0.000 1.211 198 H CA -0.751 55.281 56.048 -0.026 0.000 1.139 198 H CB 1.221 30.958 29.762 -0.042 0.000 1.838 198 H HN 0.623 nan 8.280 nan 0.000 0.550 199 E N 1.449 121.692 120.200 0.071 0.000 2.249 199 E HA 0.254 4.604 4.350 -0.000 0.000 0.263 199 E C -1.907 174.756 176.600 0.106 0.000 0.950 199 E CA -2.287 54.130 56.400 0.028 0.000 0.827 199 E CB 2.474 32.182 29.700 0.014 0.000 1.220 199 E HN 0.367 nan 8.360 nan 0.000 0.411 200 P HA -0.081 nan 4.420 nan 0.000 0.213 200 P C 1.063 178.390 177.300 0.044 0.000 1.170 200 P CA 1.061 64.200 63.100 0.065 0.000 0.889 200 P CB 0.187 31.912 31.700 0.042 0.000 0.782 201 R N -0.224 120.294 120.500 0.030 0.000 2.200 201 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 201 R C 1.911 178.222 176.300 0.019 0.000 1.127 201 R CA 1.320 57.434 56.100 0.022 0.000 0.989 201 R CB -0.636 29.674 30.300 0.016 0.000 0.869 201 R HN 0.080 nan 8.270 nan 0.000 0.459 202 A N 0.869 123.704 122.820 0.025 0.000 1.855 202 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 202 A C 2.087 179.677 177.584 0.011 0.000 1.191 202 A CA 1.000 53.050 52.037 0.020 0.000 0.613 202 A CB -0.492 18.527 19.000 0.031 0.000 0.829 202 A HN 0.313 nan 8.150 nan 0.000 0.442 203 L N -0.425 120.805 121.223 0.011 0.000 2.191 203 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 203 L C 2.865 179.729 176.870 -0.010 0.000 1.103 203 L CA 1.041 55.871 54.840 -0.017 0.000 0.769 203 L CB -0.621 41.414 42.059 -0.041 0.000 0.908 203 L HN 0.457 nan 8.230 nan 0.000 0.438 204 Q N 0.160 119.962 119.800 0.004 0.000 1.990 204 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 204 Q C 2.452 178.454 176.000 0.003 0.000 0.980 204 Q CA 1.323 57.131 55.803 0.007 0.000 0.832 204 Q CB -0.418 28.329 28.738 0.015 0.000 0.897 204 Q HN 0.500 nan 8.270 nan 0.000 0.427 205 L N 0.625 121.850 121.223 0.003 0.000 2.081 205 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 205 L C 2.490 179.359 176.870 -0.003 0.000 1.080 205 L CA 0.912 55.752 54.840 0.000 0.000 0.754 205 L CB -0.394 41.666 42.059 0.000 0.000 0.893 205 L HN 0.192 nan 8.230 nan 0.000 0.433 206 L N -1.156 120.063 121.223 -0.006 0.000 2.072 206 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 206 L C 2.789 179.653 176.870 -0.011 0.000 1.079 206 L CA 1.039 55.873 54.840 -0.010 0.000 0.752 206 L CB -0.535 41.513 42.059 -0.018 0.000 0.906 206 L HN 0.230 nan 8.230 nan 0.000 0.436 207 A N 0.133 122.947 122.820 -0.011 0.000 1.855 207 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 207 A C 2.328 179.910 177.584 -0.004 0.000 1.191 207 A CA 1.266 53.297 52.037 -0.009 0.000 0.613 207 A CB -0.458 18.538 19.000 -0.007 0.000 0.829 207 A HN 0.292 nan 8.150 nan 0.000 0.442 208 R N -0.377 120.122 120.500 -0.002 0.000 2.127 208 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 208 R C 2.372 178.672 176.300 -0.000 0.000 1.134 208 R CA 1.140 57.240 56.100 -0.001 0.000 0.975 208 R CB -0.471 29.829 30.300 -0.000 0.000 0.865 208 R HN 0.524 nan 8.270 nan 0.000 0.447 209 A N 1.591 124.410 122.820 -0.001 0.000 1.930 209 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 209 A C 1.309 178.894 177.584 0.001 0.000 1.175 209 A CA 1.097 53.133 52.037 -0.001 0.000 0.627 209 A CB -0.180 18.819 19.000 -0.002 0.000 0.815 209 A HN 0.322 nan 8.150 nan 0.000 0.443 210 A N 0.960 123.780 122.820 0.000 0.000 2.376 210 A HA 0.434 4.754 4.320 -0.000 0.000 0.298 210 A C -0.322 177.265 177.584 0.004 0.000 1.271 210 A CA -0.395 51.644 52.037 0.002 0.000 0.926 210 A CB -0.360 18.639 19.000 -0.000 0.000 1.141 210 A HN 0.491 nan 8.150 nan 0.000 0.539 211 E N 2.126 122.330 120.200 0.007 0.000 1.775 211 E HA 0.368 4.718 4.350 -0.000 0.000 0.266 211 E C 1.179 177.786 176.600 0.011 0.000 1.191 211 E CA 0.635 57.040 56.400 0.008 0.000 1.048 211 E CB 0.002 29.708 29.700 0.009 0.000 1.081 211 E HN 1.110 nan 8.360 nan 0.000 0.434 212 G N 2.773 111.579 108.800 0.010 0.000 2.184 212 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 212 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 212 G C 0.304 175.212 174.900 0.014 0.000 0.975 212 G CA 0.486 45.593 45.100 0.013 0.000 0.642 212 G HN 0.569 nan 8.290 nan 0.000 0.536 213 S N -0.448 115.259 115.700 0.011 0.000 2.474 213 S HA 0.667 5.137 4.470 -0.000 0.000 0.321 213 S C 0.896 175.500 174.600 0.006 0.000 1.080 213 S CA -0.321 57.886 58.200 0.011 0.000 1.106 213 S CB 2.101 65.309 63.200 0.013 0.000 0.984 213 S HN 0.632 nan 8.310 nan 0.000 0.464 214 L N 3.304 124.530 121.223 0.004 0.000 2.156 214 L HA 0.135 4.475 4.340 -0.000 0.000 0.208 214 L C 2.574 179.448 176.870 0.006 0.000 1.095 214 L CA 1.467 56.308 54.840 0.002 0.000 0.770 214 L CB -0.803 41.256 42.059 0.001 0.000 0.914 214 L HN 0.912 nan 8.230 nan 0.000 0.439 215 R N -0.344 120.161 120.500 0.008 0.000 2.097 215 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 215 R C 1.854 178.161 176.300 0.012 0.000 1.135 215 R CA 2.289 58.396 56.100 0.012 0.000 0.934 215 R CB -0.350 29.956 30.300 0.010 0.000 0.846 215 R HN 0.403 nan 8.270 nan 0.000 0.431 216 D N 0.055 120.461 120.400 0.010 0.000 2.117 216 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 216 D C 1.819 178.122 176.300 0.005 0.000 0.982 216 D CA 1.282 55.287 54.000 0.009 0.000 0.828 216 D CB -0.385 40.421 40.800 0.009 0.000 0.967 216 D HN 0.414 nan 8.370 nan 0.000 0.464 217 A N 1.251 124.072 122.820 0.001 0.000 1.915 217 A HA -0.218 4.101 4.320 -0.000 0.000 0.220 217 A C 2.400 179.977 177.584 -0.010 0.000 1.198 217 A CA 1.388 53.420 52.037 -0.008 0.000 0.647 217 A CB -0.958 18.035 19.000 -0.013 0.000 0.825 217 A HN 0.237 nan 8.150 nan 0.000 0.456 218 L N -0.115 121.106 121.223 -0.004 0.000 2.109 218 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 218 L C 2.972 179.847 176.870 0.009 0.000 1.086 218 L CA 1.417 56.258 54.840 0.002 0.000 0.760 218 L CB -0.459 41.614 42.059 0.023 0.000 0.910 218 L HN 0.622 nan 8.230 nan 0.000 0.437 219 S N 0.057 115.764 115.700 0.012 0.000 2.419 219 S HA -0.114 4.355 4.470 -0.000 0.000 0.233 219 S C 1.905 176.510 174.600 0.008 0.000 1.016 219 S CA 0.833 59.041 58.200 0.013 0.000 0.974 219 S CB -0.345 62.862 63.200 0.013 0.000 0.786 219 S HN 0.380 nan 8.310 nan 0.000 0.492 220 L N 0.728 121.953 121.223 0.003 0.000 2.095 220 L HA -0.003 4.337 4.340 -0.000 0.000 0.204 220 L C 2.905 179.774 176.870 -0.001 0.000 1.080 220 L CA 1.418 56.258 54.840 0.001 0.000 0.759 220 L CB -1.162 40.896 42.059 -0.002 0.000 0.914 220 L HN 0.338 nan 8.230 nan 0.000 0.439 221 T N -0.907 113.643 114.554 -0.006 0.000 2.803 221 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 221 T C 1.390 176.090 174.700 -0.000 0.000 1.052 221 T CA 1.299 63.393 62.100 -0.011 0.000 1.136 221 T CB -0.202 68.649 68.868 -0.028 0.000 0.864 221 T HN 0.300 nan 8.240 nan 0.000 0.467 222 D N 0.565 120.969 120.400 0.007 0.000 2.234 222 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 222 D C 2.180 178.487 176.300 0.012 0.000 0.962 222 D CA 0.682 54.690 54.000 0.014 0.000 0.855 222 D CB -0.017 40.796 40.800 0.020 0.000 0.951 222 D HN 0.229 nan 8.370 nan 0.000 0.500 223 Q N -0.146 119.659 119.800 0.008 0.000 2.425 223 Q HA 0.146 4.486 4.340 -0.000 0.000 0.204 223 Q C 1.588 177.591 176.000 0.005 0.000 0.933 223 Q CA 0.053 55.860 55.803 0.007 0.000 0.939 223 Q CB 0.560 29.301 28.738 0.005 0.000 1.044 223 Q HN 0.182 nan 8.270 nan 0.000 0.513 224 A N -0.182 122.641 122.820 0.005 0.000 2.030 224 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 224 A C 1.923 179.511 177.584 0.008 0.000 1.164 224 A CA 0.297 52.337 52.037 0.005 0.000 0.697 224 A CB -0.143 18.859 19.000 0.003 0.000 0.827 224 A HN 0.281 nan 8.150 nan 0.000 0.457 225 I N -0.501 120.075 120.570 0.010 0.000 2.617 225 I HA -0.150 4.020 4.170 -0.000 0.000 0.256 225 I C 2.700 178.825 176.117 0.013 0.000 1.167 225 I CA 0.889 62.197 61.300 0.014 0.000 1.469 225 I CB -0.059 37.952 38.000 0.018 0.000 1.098 225 I HN 0.356 nan 8.210 nan 0.000 0.436 226 A N 0.344 123.170 122.820 0.011 0.000 1.911 226 A HA -0.116 4.204 4.320 -0.000 0.000 0.212 226 A C 2.460 180.048 177.584 0.007 0.000 1.189 226 A CA 1.302 53.344 52.037 0.009 0.000 0.639 226 A CB -0.629 18.377 19.000 0.009 0.000 0.839 226 A HN 0.414 nan 8.150 nan 0.000 0.449 227 S N 0.116 115.820 115.700 0.005 0.000 2.345 227 S HA 0.176 4.646 4.470 -0.000 0.000 0.220 227 S C 1.527 176.129 174.600 0.003 0.000 1.031 227 S CA 1.264 59.466 58.200 0.003 0.000 0.996 227 S CB -1.070 62.131 63.200 0.002 0.000 0.882 227 S HN 0.699 nan 8.310 nan 0.000 0.445 228 G N 1.402 110.205 108.800 0.004 0.000 2.546 228 G HA2 0.395 4.355 3.960 -0.000 0.000 0.239 228 G HA3 0.395 4.355 3.960 -0.000 0.000 0.239 228 G C -0.663 174.240 174.900 0.005 0.000 1.476 228 G CA -0.388 44.714 45.100 0.003 0.000 1.064 228 G HN 0.428 nan 8.290 nan 0.000 0.561 229 D N -0.483 119.919 120.400 0.005 0.000 2.398 229 D HA 0.301 4.941 4.640 -0.000 0.000 0.247 229 D C 0.962 177.267 176.300 0.009 0.000 1.227 229 D CA 0.069 54.072 54.000 0.005 0.000 0.980 229 D CB 0.551 41.353 40.800 0.004 0.000 1.106 229 D HN 0.403 nan 8.370 nan 0.000 0.493 230 G N 0.445 109.252 108.800 0.011 0.000 3.090 230 G HA2 0.086 4.046 3.960 -0.000 0.000 0.259 230 G HA3 0.086 4.046 3.960 -0.000 0.000 0.259 230 G C -0.015 174.897 174.900 0.020 0.000 0.797 230 G CA 0.110 45.220 45.100 0.017 0.000 2.032 230 G HN 0.204 nan 8.290 nan 0.000 0.614 231 Q N -0.118 119.693 119.800 0.019 0.000 2.281 231 Q HA 0.216 4.556 4.340 -0.000 0.000 0.263 231 Q C -1.102 174.913 176.000 0.024 0.000 0.989 231 Q CA -0.741 55.075 55.803 0.022 0.000 0.852 231 Q CB 3.025 31.769 28.738 0.011 0.000 1.337 231 Q HN 0.064 nan 8.270 nan 0.000 0.418 232 V N 2.991 122.928 119.914 0.040 0.000 2.276 232 V HA 0.138 4.258 4.120 -0.000 0.000 0.249 232 V C 0.040 176.158 176.094 0.041 0.000 1.160 232 V CA 0.006 62.329 62.300 0.038 0.000 1.042 232 V CB -0.232 31.618 31.823 0.045 0.000 1.224 232 V HN 0.716 nan 8.190 nan 0.000 0.496 233 S N 2.048 117.761 115.700 0.021 0.000 2.608 233 S HA 0.345 4.815 4.470 -0.000 0.000 0.291 233 S C 1.177 175.783 174.600 0.010 0.000 1.146 233 S CA -0.438 57.770 58.200 0.013 0.000 1.043 233 S CB 1.636 64.838 63.200 0.005 0.000 1.037 233 S HN 0.477 nan 8.310 nan 0.000 0.520 234 T N 1.418 115.977 114.554 0.008 0.000 2.699 234 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 234 T C 1.798 176.498 174.700 0.000 0.000 1.036 234 T CA 2.006 64.109 62.100 0.005 0.000 1.147 234 T CB -0.488 68.382 68.868 0.003 0.000 0.862 234 T HN 0.772 nan 8.240 nan 0.000 0.446 235 Q N 0.252 120.052 119.800 -0.001 0.000 2.096 235 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 235 Q C 2.433 178.431 176.000 -0.004 0.000 0.982 235 Q CA 1.620 57.421 55.803 -0.004 0.000 0.850 235 Q CB -0.240 28.495 28.738 -0.004 0.000 0.901 235 Q HN 0.588 nan 8.270 nan 0.000 0.422 236 A N -0.464 122.356 122.820 -0.001 0.000 1.854 236 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 236 A C 2.189 179.772 177.584 -0.001 0.000 1.192 236 A CA 1.252 53.288 52.037 -0.000 0.000 0.611 236 A CB -0.720 18.282 19.000 0.003 0.000 0.832 236 A HN 0.276 nan 8.150 nan 0.000 0.442 237 V N 1.293 121.207 119.914 0.000 0.000 2.252 237 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 237 V C 2.748 178.839 176.094 -0.005 0.000 1.056 237 V CA 2.443 64.742 62.300 -0.001 0.000 1.022 237 V CB -1.112 30.712 31.823 0.001 0.000 0.641 237 V HN 0.778 nan 8.190 nan 0.000 0.445 238 S N 0.163 115.859 115.700 -0.006 0.000 2.660 238 S HA 0.202 4.672 4.470 -0.000 0.000 0.223 238 S C 1.604 176.196 174.600 -0.014 0.000 0.963 238 S CA 0.733 58.926 58.200 -0.011 0.000 0.932 238 S CB -0.003 63.190 63.200 -0.013 0.000 0.775 238 S HN 0.553 nan 8.310 nan 0.000 0.531 239 A N 1.484 124.298 122.820 -0.011 0.000 1.997 239 A HA 0.403 4.723 4.320 -0.000 0.000 0.212 239 A C 2.132 179.710 177.584 -0.011 0.000 1.178 239 A CA 0.445 52.475 52.037 -0.012 0.000 0.698 239 A CB -0.342 18.653 19.000 -0.008 0.000 0.842 239 A HN 0.554 nan 8.150 nan 0.000 0.458 240 M N -0.475 119.120 119.600 -0.009 0.000 2.191 240 M HA 0.083 4.563 4.480 -0.000 0.000 0.262 240 M C 1.999 178.293 176.300 -0.010 0.000 1.083 240 M CA 1.151 56.447 55.300 -0.008 0.000 1.154 240 M CB -0.481 32.116 32.600 -0.005 0.000 1.344 240 M HN 0.296 nan 8.290 nan 0.000 0.431 241 L N -0.328 120.889 121.223 -0.011 0.000 2.044 241 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 241 L C 1.204 178.062 176.870 -0.020 0.000 1.075 241 L CA 1.056 55.888 54.840 -0.013 0.000 0.747 241 L CB -0.763 41.290 42.059 -0.011 0.000 0.903 241 L HN 0.633 nan 8.230 nan 0.000 0.435 242 G N 0.348 109.133 108.800 -0.025 0.000 2.337 242 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.134 242 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.134 242 G C -0.089 174.785 174.900 -0.044 0.000 1.052 242 G CA -0.293 44.785 45.100 -0.036 0.000 0.737 242 G HN 0.165 nan 8.290 nan 0.000 0.485 243 T N 0.797 115.329 114.554 -0.036 0.000 2.928 243 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 243 T C 2.014 176.688 174.700 -0.044 0.000 1.008 243 T CA -0.422 61.655 62.100 -0.038 0.000 1.057 243 T CB 1.638 70.491 68.868 -0.024 0.000 1.018 243 T HN 0.162 nan 8.240 nan 0.000 0.493 244 L N 1.002 122.194 121.223 -0.052 0.000 2.083 244 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 244 L C 1.601 178.450 176.870 -0.035 0.000 1.083 244 L CA 1.129 55.937 54.840 -0.054 0.000 0.752 244 L CB -0.463 41.559 42.059 -0.061 0.000 0.899 244 L HN 0.799 nan 8.230 nan 0.000 0.433 245 D N -0.659 119.726 120.400 -0.026 0.000 3.041 245 D HA -0.174 4.466 4.640 -0.000 0.000 0.220 245 D C -0.490 175.801 176.300 -0.015 0.000 1.157 245 D CA 0.753 54.743 54.000 -0.017 0.000 0.876 245 D CB -0.761 40.030 40.800 -0.016 0.000 1.107 245 D HN 0.386 nan 8.370 nan 0.000 0.422 246 D N -0.498 119.892 120.400 -0.016 0.000 2.490 246 D HA 0.208 4.848 4.640 -0.000 0.000 0.232 246 D C 0.434 176.729 176.300 -0.007 0.000 1.053 246 D CA -0.572 53.420 54.000 -0.012 0.000 0.914 246 D CB 0.967 41.757 40.800 -0.017 0.000 1.431 246 D HN -0.145 nan 8.370 nan 0.000 0.483 247 D N 0.594 120.992 120.400 -0.003 0.000 2.379 247 D HA -0.086 4.553 4.640 -0.000 0.000 0.243 247 D C 1.751 178.053 176.300 0.004 0.000 1.088 247 D CA 0.506 54.507 54.000 0.002 0.000 0.925 247 D CB 0.169 40.971 40.800 0.003 0.000 0.888 247 D HN 0.412 nan 8.370 nan 0.000 0.529 248 Q N 0.607 120.407 119.800 0.001 0.000 2.077 248 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 248 Q C 2.189 178.198 176.000 0.015 0.000 0.989 248 Q CA 1.656 57.463 55.803 0.006 0.000 0.853 248 Q CB -0.409 28.327 28.738 -0.003 0.000 0.907 248 Q HN 0.278 nan 8.270 nan 0.000 0.418 249 A N 1.360 124.188 122.820 0.014 0.000 1.908 249 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 249 A C 2.135 179.731 177.584 0.020 0.000 1.181 249 A CA 1.448 53.499 52.037 0.023 0.000 0.627 249 A CB -0.604 18.409 19.000 0.022 0.000 0.818 249 A HN 0.334 nan 8.150 nan 0.000 0.445 250 L N 0.717 121.950 121.223 0.015 0.000 2.005 250 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 250 L C 2.730 179.603 176.870 0.006 0.000 1.072 250 L CA 2.813 57.660 54.840 0.011 0.000 0.744 250 L CB -0.710 41.356 42.059 0.011 0.000 0.895 250 L HN 0.448 nan 8.230 nan 0.000 0.433 251 S N -0.872 114.832 115.700 0.007 0.000 2.419 251 S HA -0.204 4.266 4.470 -0.000 0.000 0.233 251 S C 2.099 176.702 174.600 0.006 0.000 1.016 251 S CA 1.454 59.657 58.200 0.006 0.000 0.974 251 S CB -0.939 62.266 63.200 0.008 0.000 0.786 251 S HN 0.477 nan 8.310 nan 0.000 0.492 252 L N 0.785 122.016 121.223 0.013 0.000 2.056 252 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 252 L C 2.618 179.486 176.870 -0.004 0.000 1.078 252 L CA 1.025 55.876 54.840 0.017 0.000 0.749 252 L CB -0.412 41.669 42.059 0.037 0.000 0.901 252 L HN 0.252 nan 8.230 nan 0.000 0.433 253 V N -0.083 119.822 119.914 -0.015 0.000 2.358 253 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 253 V C 2.318 178.368 176.094 -0.073 0.000 1.047 253 V CA 1.814 64.081 62.300 -0.055 0.000 1.035 253 V CB -0.334 31.467 31.823 -0.037 0.000 0.658 253 V HN 0.485 nan 8.190 nan 0.000 0.452 254 E N 0.121 120.300 120.200 -0.036 0.000 2.077 254 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 254 E C 2.305 178.890 176.600 -0.024 0.000 0.989 254 E CA 1.371 57.755 56.400 -0.028 0.000 0.800 254 E CB -0.342 29.352 29.700 -0.011 0.000 0.746 254 E HN 0.618 nan 8.360 nan 0.000 0.452 255 A N 1.901 124.712 122.820 -0.016 0.000 1.845 255 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 255 A C 2.206 179.784 177.584 -0.009 0.000 1.195 255 A CA 1.607 53.639 52.037 -0.008 0.000 0.616 255 A CB -0.671 18.329 19.000 0.000 0.000 0.832 255 A HN 0.278 nan 8.150 nan 0.000 0.443 256 M N 0.294 119.882 119.600 -0.020 0.000 2.103 256 M HA -0.194 4.286 4.480 -0.000 0.000 0.255 256 M C 1.714 178.018 176.300 0.007 0.000 1.074 256 M CA 2.618 57.909 55.300 -0.014 0.000 1.090 256 M CB -0.379 32.179 32.600 -0.071 0.000 1.325 256 M HN 0.211 nan 8.290 nan 0.000 0.403 257 V N 0.110 119.971 119.914 -0.088 0.000 3.141 257 V HA -0.147 3.972 4.120 -0.000 0.000 0.265 257 V C 1.562 177.812 176.094 0.261 0.000 1.126 257 V CA 1.529 63.833 62.300 0.007 0.000 1.141 257 V CB -0.977 30.749 31.823 -0.162 0.000 0.743 257 V HN 0.534 nan 8.190 nan 0.000 0.492 258 E N 0.258 120.508 120.200 0.082 0.000 2.452 258 E HA 0.449 4.799 4.350 -0.000 0.000 0.197 258 E C 1.043 177.563 176.600 -0.133 0.000 1.022 258 E CA 0.501 56.910 56.400 0.015 0.000 0.890 258 E CB 0.339 30.039 29.700 0.000 0.000 0.918 258 E HN 0.474 nan 8.360 nan 0.000 0.496 259 A N 2.293 125.037 122.820 -0.127 0.000 2.917 259 A HA -0.174 4.146 4.320 -0.000 0.000 0.286 259 A C 0.874 178.401 177.584 -0.094 0.000 1.435 259 A CA 0.672 52.603 52.037 -0.175 0.000 0.737 259 A CB -2.348 16.398 19.000 -0.422 0.000 1.049 259 A HN 0.326 nan 8.150 nan 0.000 0.483 260 N N 0.206 118.880 118.700 -0.044 0.000 2.422 260 N HA 0.105 4.845 4.740 -0.000 0.000 0.181 260 N C 1.915 177.413 175.510 -0.019 0.000 1.080 260 N CA 1.840 54.873 53.050 -0.030 0.000 0.893 260 N CB -0.417 38.060 38.487 -0.017 0.000 0.973 260 N HN 1.544 nan 8.380 nan 0.000 0.456 261 G N 2.029 110.822 108.800 -0.012 0.000 3.567 261 G HA2 -0.526 3.434 3.960 -0.000 0.000 0.379 261 G HA3 -0.526 3.434 3.960 -0.000 0.000 0.379 261 G C 1.116 176.015 174.900 -0.002 0.000 2.015 261 G CA 1.771 46.868 45.100 -0.005 0.000 2.228 261 G HN 0.562 nan 8.290 nan 0.000 0.903 262 E N 0.570 120.766 120.200 -0.006 0.000 2.136 262 E HA -0.262 4.088 4.350 -0.000 0.000 0.208 262 E C 2.440 179.042 176.600 0.004 0.000 1.035 262 E CA 2.556 58.955 56.400 -0.003 0.000 0.838 262 E CB -0.433 29.264 29.700 -0.006 0.000 0.748 262 E HN 0.701 nan 8.360 nan 0.000 0.459 263 R N -0.619 119.883 120.500 0.003 0.000 2.119 263 R HA 0.002 4.342 4.340 -0.000 0.000 0.222 263 R C 2.196 178.506 176.300 0.017 0.000 1.088 263 R CA 1.002 57.107 56.100 0.009 0.000 0.984 263 R CB 0.042 30.345 30.300 0.005 0.000 0.884 263 R HN 0.186 nan 8.270 nan 0.000 0.447 264 V N 1.042 120.965 119.914 0.015 0.000 2.270 264 V HA -0.257 3.862 4.120 -0.000 0.000 0.245 264 V C 2.341 178.454 176.094 0.031 0.000 1.043 264 V CA 1.484 63.799 62.300 0.024 0.000 1.014 264 V CB -0.336 31.501 31.823 0.023 0.000 0.645 264 V HN 0.314 nan 8.190 nan 0.000 0.447 265 M N 0.072 119.684 119.600 0.021 0.000 2.279 265 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 265 M C 2.268 178.587 176.300 0.032 0.000 1.062 265 M CA 1.810 57.121 55.300 0.019 0.000 1.099 265 M CB -1.772 30.831 32.600 0.006 0.000 1.394 265 M HN 0.402 nan 8.290 nan 0.000 0.426 266 A N 0.417 123.255 122.820 0.029 0.000 1.841 266 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 266 A C 2.339 179.953 177.584 0.049 0.000 1.195 266 A CA 1.318 53.374 52.037 0.033 0.000 0.611 266 A CB -1.002 18.012 19.000 0.023 0.000 0.835 266 A HN 0.439 nan 8.150 nan 0.000 0.443 267 L N -0.366 120.887 121.223 0.050 0.000 2.043 267 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 267 L C 2.479 179.412 176.870 0.106 0.000 1.075 267 L CA 1.435 56.312 54.840 0.062 0.000 0.752 267 L CB -0.545 41.546 42.059 0.053 0.000 0.891 267 L HN 0.412 nan 8.230 nan 0.000 0.432 268 I N -0.296 120.351 120.570 0.129 0.000 2.286 268 I HA -0.304 3.865 4.170 -0.000 0.000 0.248 268 I C 2.357 178.643 176.117 0.281 0.000 1.115 268 I CA 1.167 62.604 61.300 0.229 0.000 1.392 268 I CB -0.388 37.687 38.000 0.124 0.000 1.065 268 I HN 0.382 nan 8.210 nan 0.000 0.418 269 N N 1.053 119.848 118.700 0.158 0.000 2.135 269 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 269 N C 1.797 177.378 175.510 0.120 0.000 1.027 269 N CA 1.552 54.685 53.050 0.137 0.000 0.849 269 N CB -0.098 38.435 38.487 0.077 0.000 1.002 269 N HN 0.325 nan 8.380 nan 0.000 0.425 270 E N -0.218 120.032 120.200 0.083 0.000 2.077 270 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 270 E C 1.768 178.392 176.600 0.040 0.000 0.989 270 E CA 1.098 57.529 56.400 0.050 0.000 0.800 270 E CB -0.193 29.528 29.700 0.035 0.000 0.746 270 E HN 0.424 nan 8.360 nan 0.000 0.452 271 A N 1.401 124.256 122.820 0.058 0.000 1.873 271 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 271 A C 2.456 179.990 177.584 -0.083 0.000 1.193 271 A CA 2.247 54.274 52.037 -0.016 0.000 0.629 271 A CB -1.065 17.953 19.000 0.031 0.000 0.826 271 A HN 0.432 nan 8.150 nan 0.000 0.447 272 A N -0.284 122.599 122.820 0.105 0.000 1.940 272 A HA 0.085 4.404 4.320 -0.000 0.000 0.219 272 A C 2.474 180.092 177.584 0.056 0.000 1.176 272 A CA 2.318 54.459 52.037 0.173 0.000 0.631 272 A CB -1.050 18.231 19.000 0.469 0.000 0.814 272 A HN 1.242 nan 8.150 nan 0.000 0.446 273 A N -0.368 122.482 122.820 0.051 0.000 2.070 273 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 273 A C 1.998 179.574 177.584 -0.012 0.000 1.159 273 A CA 1.336 53.388 52.037 0.025 0.000 0.656 273 A CB -0.347 18.669 19.000 0.027 0.000 0.800 273 A HN 0.576 nan 8.150 nan 0.000 0.453 274 R N -0.884 119.588 120.500 -0.047 0.000 2.426 274 R HA 0.286 4.626 4.340 -0.000 0.000 0.263 274 R C 0.856 177.093 176.300 -0.105 0.000 0.961 274 R CA 0.332 56.392 56.100 -0.067 0.000 1.086 274 R CB -0.147 30.110 30.300 -0.071 0.000 1.186 274 R HN 0.510 nan 8.270 nan 0.000 0.537 275 G N 2.388 111.117 108.800 -0.119 0.000 2.371 275 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.299 275 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.299 275 G C 0.176 174.922 174.900 -0.257 0.000 1.014 275 G CA 0.005 45.013 45.100 -0.154 0.000 1.097 275 G HN 0.302 nan 8.290 nan 0.000 0.512 276 I N -0.270 120.031 120.570 -0.447 0.000 2.823 276 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 276 I C 0.438 176.196 176.117 -0.599 0.000 1.091 276 I CA -0.556 60.438 61.300 -0.509 0.000 1.365 276 I CB 0.683 38.274 38.000 -0.682 0.000 1.427 276 I HN 0.116 nan 8.210 nan 0.000 0.583 277 E N 4.222 124.203 120.200 -0.364 0.000 1.963 277 E HA 0.028 4.378 4.350 -0.000 0.000 0.274 277 E C 0.116 176.610 176.600 -0.177 0.000 1.061 277 E CA -0.170 56.095 56.400 -0.225 0.000 0.847 277 E CB 0.220 29.861 29.700 -0.098 0.000 1.083 277 E HN 0.574 nan 8.360 nan 0.000 0.402 278 W N 2.087 123.390 121.300 0.006 0.000 2.313 278 W HA -0.247 4.413 4.660 -0.000 0.000 0.293 278 W C 2.090 178.612 176.519 0.004 0.000 1.216 278 W CA 1.274 58.623 57.345 0.006 0.000 1.223 278 W CB -0.013 29.452 29.460 0.009 0.000 1.138 278 W HN 0.565 nan 8.180 nan 0.000 0.535 279 E N 0.304 120.626 120.200 0.203 0.000 2.107 279 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 279 E C 2.310 178.953 176.600 0.072 0.000 0.982 279 E CA 1.160 57.633 56.400 0.122 0.000 0.809 279 E CB -0.267 29.485 29.700 0.086 0.000 0.756 279 E HN 0.159 nan 8.360 nan 0.000 0.459 280 A N 1.001 123.845 122.820 0.041 0.000 1.972 280 A HA -0.160 4.159 4.320 -0.000 0.000 0.219 280 A C 2.105 179.699 177.584 0.017 0.000 1.169 280 A CA 1.238 53.282 52.037 0.011 0.000 0.635 280 A CB -0.567 18.421 19.000 -0.021 0.000 0.810 280 A HN 0.400 nan 8.150 nan 0.000 0.446 281 L N -0.434 120.809 121.223 0.033 0.000 2.056 281 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 281 L C 2.169 179.080 176.870 0.069 0.000 1.078 281 L CA 1.588 56.458 54.840 0.050 0.000 0.749 281 L CB -0.463 41.654 42.059 0.097 0.000 0.901 281 L HN 0.372 nan 8.230 nan 0.000 0.433 282 L N -1.526 119.749 121.223 0.087 0.000 2.141 282 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 282 L C 2.420 179.303 176.870 0.022 0.000 1.094 282 L CA 0.796 55.670 54.840 0.057 0.000 0.763 282 L CB -0.449 41.644 42.059 0.057 0.000 0.908 282 L HN 0.139 nan 8.230 nan 0.000 0.437 283 V N -0.416 119.511 119.914 0.022 0.000 2.427 283 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 283 V C 2.488 178.594 176.094 0.019 0.000 1.051 283 V CA 1.457 63.763 62.300 0.009 0.000 1.048 283 V CB -0.393 31.436 31.823 0.011 0.000 0.666 283 V HN 0.428 nan 8.190 nan 0.000 0.456 284 E N -0.380 119.835 120.200 0.025 0.000 2.072 284 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 284 E C 2.222 178.848 176.600 0.044 0.000 0.985 284 E CA 1.280 57.699 56.400 0.031 0.000 0.801 284 E CB -0.327 29.387 29.700 0.024 0.000 0.750 284 E HN 0.532 nan 8.360 nan 0.000 0.452 285 M N 0.330 119.954 119.600 0.041 0.000 2.108 285 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 285 M C 2.457 178.798 176.300 0.069 0.000 1.066 285 M CA 1.216 56.544 55.300 0.047 0.000 1.107 285 M CB -0.343 32.280 32.600 0.039 0.000 1.356 285 M HN 0.076 nan 8.290 nan 0.000 0.406 286 L N -0.693 120.555 121.223 0.041 0.000 2.056 286 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 286 L C 2.670 179.671 176.870 0.217 0.000 1.078 286 L CA 1.342 56.215 54.840 0.055 0.000 0.749 286 L CB -1.132 40.861 42.059 -0.110 0.000 0.901 286 L HN 0.392 nan 8.230 nan 0.000 0.433 287 G N -0.176 108.706 108.800 0.137 0.000 2.422 287 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 287 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 287 G C 1.623 176.639 174.900 0.193 0.000 1.146 287 G CA 0.408 45.597 45.100 0.147 0.000 0.769 287 G HN 0.206 nan 8.290 nan 0.000 0.547 288 L N -0.253 121.056 121.223 0.142 0.000 2.027 288 L HA 0.074 4.414 4.340 -0.000 0.000 0.206 288 L C 2.845 179.799 176.870 0.140 0.000 1.074 288 L CA 0.453 55.365 54.840 0.119 0.000 0.745 288 L CB -0.397 41.706 42.059 0.074 0.000 0.898 288 L HN 0.157 nan 8.230 nan 0.000 0.433 289 L N -0.635 120.696 121.223 0.181 0.000 2.187 289 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 289 L C 2.602 179.591 176.870 0.198 0.000 1.100 289 L CA 1.227 56.190 54.840 0.205 0.000 0.765 289 L CB -0.442 41.796 42.059 0.299 0.000 0.904 289 L HN 0.417 nan 8.230 nan 0.000 0.437 290 H N -0.272 118.882 119.070 0.141 0.000 2.284 290 H HA -0.085 4.471 4.556 -0.000 0.000 0.304 290 H C 2.450 177.789 175.328 0.019 0.000 1.069 290 H CA 1.368 57.442 56.048 0.043 0.000 1.327 290 H CB 0.084 29.892 29.762 0.077 0.000 1.387 290 H HN 0.001 nan 8.280 nan 0.000 0.498 291 R N 0.297 120.804 120.500 0.011 0.000 2.103 291 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 291 R C 2.482 178.719 176.300 -0.104 0.000 1.142 291 R CA 1.831 57.891 56.100 -0.066 0.000 0.960 291 R CB -0.431 29.917 30.300 0.079 0.000 0.858 291 R HN 0.459 nan 8.270 nan 0.000 0.439 292 I N 0.543 121.090 120.570 -0.038 0.000 2.118 292 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 292 I C 2.615 178.692 176.117 -0.066 0.000 1.070 292 I CA 1.608 62.890 61.300 -0.029 0.000 1.327 292 I CB -0.672 37.333 38.000 0.009 0.000 1.034 292 I HN 0.208 nan 8.210 nan 0.000 0.405 293 A N 0.459 123.219 122.820 -0.099 0.000 1.978 293 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 293 A C 2.328 179.820 177.584 -0.154 0.000 1.170 293 A CA 1.444 53.410 52.037 -0.118 0.000 0.636 293 A CB -0.397 18.518 19.000 -0.140 0.000 0.810 293 A HN 0.333 nan 8.150 nan 0.000 0.448 294 M N -0.627 118.836 119.600 -0.229 0.000 2.200 294 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 294 M C 2.131 178.370 176.300 -0.101 0.000 1.066 294 M CA 1.146 56.331 55.300 -0.191 0.000 1.127 294 M CB -1.079 31.377 32.600 -0.241 0.000 1.379 294 M HN 0.252 nan 8.290 nan 0.000 0.420 295 V N 0.415 120.280 119.914 -0.081 0.000 2.515 295 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 295 V C 2.220 178.292 176.094 -0.037 0.000 1.058 295 V CA 1.405 63.678 62.300 -0.044 0.000 1.064 295 V CB -0.897 30.908 31.823 -0.029 0.000 0.675 295 V HN 0.533 nan 8.190 nan 0.000 0.461 296 Q N -0.875 118.899 119.800 -0.043 0.000 2.297 296 Q HA -0.092 4.248 4.340 -0.000 0.000 0.204 296 Q C 2.078 178.059 176.000 -0.033 0.000 0.962 296 Q CA 0.987 56.771 55.803 -0.032 0.000 0.879 296 Q CB -0.027 28.693 28.738 -0.030 0.000 0.947 296 Q HN 0.503 nan 8.270 nan 0.000 0.462 297 L N -0.427 120.769 121.223 -0.044 0.000 2.253 297 L HA 0.079 4.419 4.340 -0.000 0.000 0.205 297 L C 0.080 176.933 176.870 -0.029 0.000 1.078 297 L CA 0.925 55.742 54.840 -0.038 0.000 0.805 297 L CB 0.705 42.734 42.059 -0.049 0.000 0.963 297 L HN -0.062 nan 8.230 nan 0.000 0.459 298 S N -0.683 115.000 115.700 -0.029 0.000 2.673 298 S HA 0.396 4.866 4.470 -0.000 0.000 0.256 298 S C -2.027 172.562 174.600 -0.018 0.000 1.141 298 S CA -0.902 57.286 58.200 -0.019 0.000 1.109 298 S CB 1.075 64.265 63.200 -0.017 0.000 1.101 298 S HN 0.088 nan 8.310 nan 0.000 0.471 299 P HA -0.111 nan 4.420 nan 0.000 0.231 299 P C 0.973 178.270 177.300 -0.005 0.000 1.154 299 P CA 1.005 64.099 63.100 -0.010 0.000 0.762 299 P CB -0.084 31.613 31.700 -0.006 0.000 0.790 300 A N -0.388 122.430 122.820 -0.004 0.000 2.275 300 A HA 0.425 4.745 4.320 -0.000 0.000 0.212 300 A C 2.281 179.867 177.584 0.004 0.000 1.201 300 A CA 0.619 52.657 52.037 0.002 0.000 0.843 300 A CB -0.684 18.318 19.000 0.004 0.000 0.873 300 A HN 0.204 nan 8.150 nan 0.000 0.492 301 A N -0.140 122.678 122.820 -0.003 0.000 2.076 301 A HA 0.070 4.389 4.320 -0.000 0.000 0.220 301 A C 1.055 178.645 177.584 0.010 0.000 1.160 301 A CA 0.440 52.476 52.037 -0.001 0.000 0.653 301 A CB -0.484 18.501 19.000 -0.025 0.000 0.801 301 A HN 0.451 nan 8.150 nan 0.000 0.455 302 L N 0.579 121.807 121.223 0.008 0.000 2.500 302 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 302 L C 1.446 178.329 176.870 0.022 0.000 1.149 302 L CA -0.317 54.533 54.840 0.016 0.000 0.897 302 L CB 0.556 42.622 42.059 0.012 0.000 1.178 302 L HN 0.403 nan 8.230 nan 0.000 0.473 303 G N 3.474 112.291 108.800 0.030 0.000 2.803 303 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.177 303 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.177 303 G C 0.839 175.756 174.900 0.028 0.000 1.629 303 G CA -0.161 44.958 45.100 0.032 0.000 1.077 303 G HN 0.645 nan 8.290 nan 0.000 0.556 304 N N 0.327 119.045 118.700 0.031 0.000 2.143 304 N HA -0.072 4.668 4.740 -0.000 0.000 0.190 304 N C 1.453 176.976 175.510 0.022 0.000 1.058 304 N CA 1.119 54.186 53.050 0.028 0.000 0.860 304 N CB -0.465 38.042 38.487 0.034 0.000 1.044 304 N HN 0.308 nan 8.380 nan 0.000 0.445 305 D N 0.453 120.867 120.400 0.024 0.000 2.349 305 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 305 D C 1.359 177.669 176.300 0.016 0.000 1.029 305 D CA 0.001 54.011 54.000 0.017 0.000 0.879 305 D CB -0.097 40.713 40.800 0.016 0.000 0.906 305 D HN 0.120 nan 8.370 nan 0.000 0.528 306 M N -0.463 119.150 119.600 0.021 0.000 2.722 306 M HA 0.083 4.563 4.480 -0.000 0.000 0.238 306 M C 1.504 177.813 176.300 0.016 0.000 1.098 306 M CA 0.195 55.508 55.300 0.021 0.000 1.062 306 M CB 0.223 32.840 32.600 0.028 0.000 1.573 306 M HN 0.016 nan 8.290 nan 0.000 0.531 307 A N -0.197 122.631 122.820 0.013 0.000 2.015 307 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 307 A C 2.239 179.827 177.584 0.007 0.000 1.163 307 A CA 1.448 53.490 52.037 0.009 0.000 0.646 307 A CB -0.759 18.245 19.000 0.007 0.000 0.806 307 A HN 0.615 nan 8.150 nan 0.000 0.448 308 A N -0.117 122.707 122.820 0.007 0.000 1.972 308 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 308 A C 1.975 179.563 177.584 0.006 0.000 1.169 308 A CA 1.552 53.593 52.037 0.005 0.000 0.635 308 A CB -0.443 18.560 19.000 0.005 0.000 0.810 308 A HN 0.521 nan 8.150 nan 0.000 0.446 309 I N -2.028 118.548 120.570 0.009 0.000 2.867 309 I HA -0.038 4.132 4.170 -0.000 0.000 0.265 309 I C 1.939 178.061 176.117 0.009 0.000 1.162 309 I CA 0.715 62.021 61.300 0.010 0.000 1.471 309 I CB -0.233 37.775 38.000 0.013 0.000 1.123 309 I HN 0.325 nan 8.210 nan 0.000 0.440 310 E N 1.217 121.423 120.200 0.009 0.000 2.722 310 E HA -0.360 3.989 4.350 -0.000 0.000 0.245 310 E C 1.931 178.535 176.600 0.007 0.000 1.004 310 E CA 2.576 58.981 56.400 0.008 0.000 1.405 310 E CB -0.485 29.220 29.700 0.007 0.000 1.325 310 E HN 0.243 nan 8.360 nan 0.000 0.479 311 L N 0.363 121.589 121.223 0.006 0.000 1.990 311 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 311 L C 2.471 179.345 176.870 0.006 0.000 1.072 311 L CA 2.231 57.074 54.840 0.005 0.000 0.755 311 L CB -0.581 41.481 42.059 0.005 0.000 0.889 311 L HN 0.166 nan 8.230 nan 0.000 0.432 312 R N -1.957 118.547 120.500 0.006 0.000 2.073 312 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 312 R C 2.148 178.452 176.300 0.007 0.000 1.134 312 R CA 1.395 57.499 56.100 0.006 0.000 0.952 312 R CB -0.371 29.933 30.300 0.006 0.000 0.850 312 R HN 0.290 nan 8.270 nan 0.000 0.433 313 M N 0.407 120.012 119.600 0.009 0.000 2.086 313 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 313 M C 2.114 178.419 176.300 0.007 0.000 1.067 313 M CA 1.713 57.019 55.300 0.010 0.000 1.116 313 M CB -0.800 31.807 32.600 0.012 0.000 1.348 313 M HN 0.097 nan 8.290 nan 0.000 0.407 314 R N -0.417 120.086 120.500 0.006 0.000 2.115 314 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 314 R C 2.054 178.357 176.300 0.006 0.000 1.111 314 R CA 0.754 56.856 56.100 0.004 0.000 0.976 314 R CB -0.186 30.116 30.300 0.004 0.000 0.870 314 R HN 0.380 nan 8.270 nan 0.000 0.445 315 E N 0.949 121.153 120.200 0.007 0.000 2.110 315 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 315 E C 2.066 178.673 176.600 0.011 0.000 0.988 315 E CA 1.049 57.454 56.400 0.009 0.000 0.804 315 E CB -0.065 29.640 29.700 0.008 0.000 0.745 315 E HN 0.356 nan 8.360 nan 0.000 0.458 316 L N 0.143 121.372 121.223 0.010 0.000 2.056 316 L HA -0.127 4.212 4.340 -0.000 0.000 0.207 316 L C 2.579 179.458 176.870 0.015 0.000 1.078 316 L CA 1.002 55.849 54.840 0.012 0.000 0.749 316 L CB -0.555 41.508 42.059 0.006 0.000 0.901 316 L HN 0.047 nan 8.230 nan 0.000 0.433 317 A N 1.374 124.200 122.820 0.009 0.000 1.892 317 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 317 A C 2.333 179.922 177.584 0.008 0.000 1.188 317 A CA 2.204 54.245 52.037 0.006 0.000 0.631 317 A CB -0.611 18.387 19.000 -0.002 0.000 0.822 317 A HN 0.576 nan 8.150 nan 0.000 0.447 318 R N -0.599 119.907 120.500 0.009 0.000 2.240 318 R HA -0.012 4.328 4.340 -0.000 0.000 0.203 318 R C 1.649 177.959 176.300 0.016 0.000 1.011 318 R CA 1.687 57.793 56.100 0.010 0.000 1.007 318 R CB -0.775 29.530 30.300 0.008 0.000 0.911 318 R HN 0.510 nan 8.270 nan 0.000 0.468 319 T N -1.783 112.783 114.554 0.021 0.000 3.023 319 T HA 0.305 4.655 4.350 -0.000 0.000 0.249 319 T C 0.829 175.552 174.700 0.040 0.000 1.050 319 T CA -0.219 61.899 62.100 0.029 0.000 1.088 319 T CB 0.048 68.935 68.868 0.031 0.000 0.946 319 T HN 0.084 nan 8.240 nan 0.000 0.480 320 I N 2.621 123.216 120.570 0.041 0.000 2.359 320 I HA 0.415 4.585 4.170 -0.000 0.000 0.294 320 I C -2.647 173.499 176.117 0.048 0.000 0.987 320 I CA -3.090 58.245 61.300 0.058 0.000 1.225 320 I CB 1.763 39.808 38.000 0.076 0.000 1.366 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.030 nan 4.420 nan 0.000 0.264 321 P C -1.936 175.376 177.300 0.019 0.000 1.193 321 P CA -0.897 62.215 63.100 0.020 0.000 0.763 321 P CB 0.131 31.835 31.700 0.006 0.000 0.810 322 P HA -0.189 nan 4.420 nan 0.000 0.216 322 P C 1.093 178.386 177.300 -0.012 0.000 1.150 322 P CA 1.847 64.946 63.100 -0.002 0.000 0.837 322 P CB -0.453 31.237 31.700 -0.016 0.000 0.786 323 T N 0.183 114.724 114.554 -0.022 0.000 2.699 323 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 323 T C 1.408 176.071 174.700 -0.062 0.000 1.036 323 T CA 1.941 64.017 62.100 -0.039 0.000 1.147 323 T CB -0.869 67.976 68.868 -0.038 0.000 0.862 323 T HN 0.155 nan 8.240 nan 0.000 0.446 324 D N 0.663 121.025 120.400 -0.064 0.000 2.123 324 D HA 0.094 4.734 4.640 -0.000 0.000 0.200 324 D C 2.093 178.349 176.300 -0.073 0.000 0.976 324 D CA 0.460 54.375 54.000 -0.142 0.000 0.831 324 D CB -0.377 40.366 40.800 -0.095 0.000 0.974 324 D HN 0.331 nan 8.370 nan 0.000 0.469 325 I N 0.988 121.608 120.570 0.083 0.000 2.423 325 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 325 I C 2.268 178.474 176.117 0.148 0.000 1.151 325 I CA 0.905 62.321 61.300 0.193 0.000 1.421 325 I CB 0.041 38.113 38.000 0.121 0.000 1.079 325 I HN -0.012 nan 8.210 nan 0.000 0.431 326 Q N -0.007 119.818 119.800 0.042 0.000 2.049 326 Q HA -0.172 4.168 4.340 -0.000 0.000 0.198 326 Q C 2.262 178.297 176.000 0.058 0.000 0.971 326 Q CA 1.287 57.110 55.803 0.033 0.000 0.833 326 Q CB -0.693 28.030 28.738 -0.024 0.000 0.896 326 Q HN 0.435 nan 8.270 nan 0.000 0.434 327 L N 0.157 121.342 121.223 -0.063 0.000 1.997 327 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 327 L C 2.159 178.957 176.870 -0.121 0.000 1.074 327 L CA 1.842 56.589 54.840 -0.155 0.000 0.763 327 L CB -0.762 41.107 42.059 -0.317 0.000 0.890 327 L HN 0.100 nan 8.230 nan 0.000 0.434 328 Y N -1.539 118.795 120.300 0.056 0.000 2.181 328 Y HA -0.286 4.264 4.550 -0.000 0.000 0.288 328 Y C 2.502 178.457 175.900 0.091 0.000 1.146 328 Y CA 2.054 60.193 58.100 0.065 0.000 1.164 328 Y CB -1.206 37.291 38.460 0.062 0.000 0.982 328 Y HN 0.355 nan 8.280 nan 0.000 0.515 329 Y N 0.692 121.086 120.300 0.156 0.000 2.145 329 Y HA -0.337 4.213 4.550 -0.000 0.000 0.286 329 Y C 2.677 178.613 175.900 0.060 0.000 1.145 329 Y CA 2.196 60.358 58.100 0.103 0.000 1.148 329 Y CB -0.508 38.004 38.460 0.086 0.000 0.981 329 Y HN 0.168 nan 8.280 nan 0.000 0.507 330 Q N -0.625 119.319 119.800 0.240 0.000 2.002 330 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 330 Q C 2.166 178.164 176.000 -0.004 0.000 0.988 330 Q CA 2.708 58.580 55.803 0.115 0.000 0.843 330 Q CB -0.311 28.475 28.738 0.080 0.000 0.908 330 Q HN 0.461 nan 8.270 nan 0.000 0.420 331 T N 1.277 115.831 114.554 0.001 0.000 2.759 331 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 331 T C 1.689 176.384 174.700 -0.009 0.000 1.042 331 T CA 1.154 63.248 62.100 -0.010 0.000 1.140 331 T CB -0.128 68.755 68.868 0.025 0.000 0.864 331 T HN 0.237 nan 8.240 nan 0.000 0.455 332 L N 0.270 121.481 121.223 -0.019 0.000 2.095 332 L HA 0.032 4.372 4.340 -0.000 0.000 0.204 332 L C 2.544 179.349 176.870 -0.108 0.000 1.080 332 L CA 0.520 55.331 54.840 -0.049 0.000 0.759 332 L CB -0.625 41.401 42.059 -0.055 0.000 0.914 332 L HN 0.243 nan 8.230 nan 0.000 0.439 333 L N 0.864 121.967 121.223 -0.200 0.000 1.971 333 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 333 L C 2.569 179.388 176.870 -0.086 0.000 1.072 333 L CA 2.121 56.843 54.840 -0.196 0.000 0.758 333 L CB -0.717 41.206 42.059 -0.225 0.000 0.889 333 L HN 0.186 nan 8.230 nan 0.000 0.433 334 I N -0.058 120.473 120.570 -0.064 0.000 2.145 334 I HA -0.325 3.845 4.170 -0.000 0.000 0.244 334 I C 2.600 178.695 176.117 -0.037 0.000 1.075 334 I CA 1.575 62.848 61.300 -0.045 0.000 1.332 334 I CB -1.115 36.853 38.000 -0.053 0.000 1.033 334 I HN 0.410 nan 8.210 nan 0.000 0.410 335 G N 0.435 109.215 108.800 -0.035 0.000 2.503 335 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.221 335 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.221 335 G C 1.783 176.682 174.900 -0.002 0.000 1.131 335 G CA 1.006 46.095 45.100 -0.019 0.000 0.756 335 G HN 0.351 nan 8.290 nan 0.000 0.572 336 R N 1.127 121.622 120.500 -0.008 0.000 2.092 336 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 336 R C 2.594 178.916 176.300 0.036 0.000 1.119 336 R CA 1.798 57.905 56.100 0.012 0.000 0.970 336 R CB -0.218 30.077 30.300 -0.008 0.000 0.864 336 R HN 0.529 nan 8.270 nan 0.000 0.440 337 K N 0.398 120.818 120.400 0.034 0.000 2.025 337 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 337 K C 1.415 178.110 176.600 0.159 0.000 1.049 337 K CA 1.813 58.147 56.287 0.077 0.000 0.933 337 K CB -0.154 32.383 32.500 0.061 0.000 0.714 337 K HN 0.180 nan 8.250 nan 0.000 0.438 338 E N 0.621 120.880 120.200 0.098 0.000 2.478 338 E HA -0.098 4.252 4.350 -0.000 0.000 0.198 338 E C 1.808 178.518 176.600 0.183 0.000 1.046 338 E CA 0.233 56.707 56.400 0.123 0.000 0.870 338 E CB -0.085 29.538 29.700 -0.129 0.000 0.818 338 E HN 0.208 nan 8.360 nan 0.000 0.527 339 L N 2.053 123.344 121.223 0.112 0.000 2.051 339 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 339 L C -0.688 176.236 176.870 0.089 0.000 1.076 339 L CA 2.052 56.939 54.840 0.079 0.000 0.758 339 L CB -0.784 41.314 42.059 0.065 0.000 0.890 339 L HN 0.127 nan 8.230 nan 0.000 0.433 340 P HA -0.099 nan 4.420 nan 0.000 0.255 340 P C 1.038 178.369 177.300 0.051 0.000 1.248 340 P CA 0.915 64.045 63.100 0.051 0.000 0.807 340 P CB -0.001 31.704 31.700 0.009 0.000 1.150 341 Y N 1.197 121.494 120.300 -0.005 0.000 2.337 341 Y HA 0.168 4.718 4.550 -0.000 0.000 0.293 341 Y C 1.756 177.649 175.900 -0.012 0.000 1.123 341 Y CA 0.298 58.394 58.100 -0.007 0.000 1.201 341 Y CB -0.488 37.967 38.460 -0.008 0.000 1.011 341 Y HN -0.096 nan 8.280 nan 0.000 0.545 342 A N 1.766 124.677 122.820 0.151 0.000 2.477 342 A HA 0.069 4.389 4.320 -0.000 0.000 0.246 342 A C -1.088 176.515 177.584 0.032 0.000 1.078 342 A CA -0.948 51.124 52.037 0.059 0.000 0.770 342 A CB -0.298 18.709 19.000 0.010 0.000 1.011 342 A HN 0.217 nan 8.150 nan 0.000 0.494 343 P HA -0.121 nan 4.420 nan 0.000 0.218 343 P C 0.010 177.307 177.300 -0.004 0.000 1.146 343 P CA 1.528 64.632 63.100 0.006 0.000 0.813 343 P CB 0.173 31.872 31.700 -0.002 0.000 0.778 344 D N -1.888 118.497 120.400 -0.024 0.000 2.927 344 D HA 0.140 4.780 4.640 -0.000 0.000 0.219 344 D C 0.847 177.095 176.300 -0.085 0.000 1.248 344 D CA -0.678 53.299 54.000 -0.039 0.000 0.861 344 D CB 1.438 42.207 40.800 -0.053 0.000 1.677 344 D HN -0.303 nan 8.370 nan 0.000 0.511 345 R N 1.377 121.838 120.500 -0.065 0.000 2.127 345 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 345 R C 2.124 178.145 176.300 -0.464 0.000 1.134 345 R CA 1.258 57.291 56.100 -0.112 0.000 0.975 345 R CB 0.097 30.456 30.300 0.098 0.000 0.865 345 R HN 0.394 nan 8.270 nan 0.000 0.447 346 R N 0.743 120.809 120.500 -0.724 0.000 2.073 346 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 346 R C 2.191 178.113 176.300 -0.630 0.000 1.120 346 R CA 1.289 56.661 56.100 -1.213 0.000 0.967 346 R CB -0.177 29.567 30.300 -0.927 0.000 0.862 346 R HN 0.168 nan 8.270 nan 0.000 0.436 347 M N 0.420 119.812 119.600 -0.347 0.000 2.358 347 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 347 M C 1.674 177.866 176.300 -0.180 0.000 1.064 347 M CA 1.822 56.995 55.300 -0.211 0.000 1.093 347 M CB -0.133 32.391 32.600 -0.126 0.000 1.401 347 M HN 0.359 nan 8.290 nan 0.000 0.440 348 G N -0.314 108.368 108.800 -0.197 0.000 2.394 348 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 348 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 348 G C 1.267 176.089 174.900 -0.130 0.000 1.176 348 G CA 0.786 45.813 45.100 -0.121 0.000 0.786 348 G HN 0.371 nan 8.290 nan 0.000 0.533 349 V N 0.906 120.686 119.914 -0.224 0.000 2.515 349 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 349 V C 2.657 178.671 176.094 -0.132 0.000 1.058 349 V CA 2.059 64.260 62.300 -0.165 0.000 1.064 349 V CB -0.398 31.283 31.823 -0.238 0.000 0.675 349 V HN 0.480 nan 8.190 nan 0.000 0.461 350 E N -0.564 119.525 120.200 -0.186 0.000 2.072 350 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 350 E C 2.330 178.895 176.600 -0.058 0.000 0.982 350 E CA 1.112 57.445 56.400 -0.111 0.000 0.803 350 E CB -0.191 29.432 29.700 -0.128 0.000 0.755 350 E HN 0.435 nan 8.360 nan 0.000 0.453 351 M N 0.734 120.296 119.600 -0.063 0.000 2.082 351 M HA -0.160 4.320 4.480 -0.000 0.000 0.258 351 M C 2.363 178.663 176.300 0.001 0.000 1.069 351 M CA 1.626 56.909 55.300 -0.029 0.000 1.102 351 M CB -1.137 31.442 32.600 -0.035 0.000 1.336 351 M HN 0.142 nan 8.290 nan 0.000 0.404 352 T N 1.538 116.090 114.554 -0.003 0.000 2.668 352 T HA -0.069 4.281 4.350 -0.000 0.000 0.262 352 T C 2.024 176.758 174.700 0.057 0.000 1.045 352 T CA 1.145 63.261 62.100 0.026 0.000 1.152 352 T CB -0.517 68.360 68.868 0.015 0.000 0.864 352 T HN 0.316 nan 8.240 nan 0.000 0.419 353 L N 0.625 121.875 121.223 0.045 0.000 2.083 353 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 353 L C 2.590 179.506 176.870 0.077 0.000 1.083 353 L CA 1.111 55.991 54.840 0.067 0.000 0.752 353 L CB -0.837 41.251 42.059 0.048 0.000 0.899 353 L HN 0.247 nan 8.230 nan 0.000 0.433 354 L N -0.328 120.924 121.223 0.048 0.000 2.201 354 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 354 L C 2.809 179.722 176.870 0.072 0.000 1.105 354 L CA 0.788 55.654 54.840 0.043 0.000 0.775 354 L CB -0.410 41.657 42.059 0.012 0.000 0.913 354 L HN 0.249 nan 8.230 nan 0.000 0.440 355 R N 0.781 121.342 120.500 0.102 0.000 2.075 355 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 355 R C 2.167 178.624 176.300 0.261 0.000 1.126 355 R CA 1.656 57.865 56.100 0.181 0.000 0.963 355 R CB -0.479 29.928 30.300 0.177 0.000 0.858 355 R HN 0.284 nan 8.270 nan 0.000 0.435 356 A N -0.356 122.604 122.820 0.234 0.000 2.066 356 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 356 A C 1.770 179.574 177.584 0.367 0.000 1.157 356 A CA 0.731 52.960 52.037 0.321 0.000 0.670 356 A CB -0.267 18.969 19.000 0.393 0.000 0.804 356 A HN 0.262 nan 8.150 nan 0.000 0.453 357 L N -0.709 120.666 121.223 0.253 0.000 2.095 357 L HA 0.035 4.374 4.340 -0.000 0.000 0.204 357 L C 2.852 179.816 176.870 0.157 0.000 1.080 357 L CA 1.765 56.731 54.840 0.210 0.000 0.759 357 L CB -1.058 41.059 42.059 0.097 0.000 0.914 357 L HN 0.369 nan 8.230 nan 0.000 0.439 358 A N -1.120 121.737 122.820 0.061 0.000 1.840 358 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 358 A C 1.447 178.975 177.584 -0.093 0.000 1.198 358 A CA 0.826 52.806 52.037 -0.095 0.000 0.608 358 A CB -1.013 17.823 19.000 -0.273 0.000 0.839 358 A HN 0.273 nan 8.150 nan 0.000 0.443 359 F N 0.541 120.531 119.950 0.067 0.000 2.668 359 F HA 0.145 4.672 4.527 -0.000 0.000 0.365 359 F C 0.508 176.316 175.800 0.014 0.000 1.165 359 F CA 0.210 58.225 58.000 0.024 0.000 1.344 359 F CB -0.574 38.418 39.000 -0.015 0.000 1.658 359 F HN 0.331 nan 8.300 nan 0.000 0.620 360 H N 2.263 121.399 119.070 0.109 0.000 2.595 360 H HA 0.275 4.831 4.556 -0.000 0.000 0.313 360 H C -2.321 173.047 175.328 0.066 0.000 1.023 360 H CA -2.457 53.650 56.048 0.099 0.000 1.218 360 H CB 1.138 30.981 29.762 0.134 0.000 1.403 360 H HN -0.027 nan 8.280 nan 0.000 0.477 361 P HA 0.055 nan 4.420 nan 0.000 0.270 361 P C -0.618 176.898 177.300 0.360 0.000 1.242 361 P CA 0.050 63.259 63.100 0.181 0.000 0.768 361 P CB 0.569 32.300 31.700 0.051 0.000 0.820 362 R N 0.367 120.988 120.500 0.202 0.000 3.390 362 R HA -0.095 4.245 4.340 -0.000 0.000 0.280 362 R C 0.127 176.452 176.300 0.041 0.000 1.126 362 R CA 0.337 56.510 56.100 0.122 0.000 0.757 362 R CB -1.977 28.395 30.300 0.120 0.000 1.296 362 R HN 0.558 nan 8.270 nan 0.000 0.431 363 M N 0.286 119.908 119.600 0.038 0.000 2.812 363 M HA 0.484 4.964 4.480 -0.000 0.000 0.285 363 M C -1.934 174.341 176.300 -0.041 0.000 1.216 363 M CA -2.160 53.102 55.300 -0.064 0.000 0.749 363 M CB 1.539 34.135 32.600 -0.006 0.000 1.756 363 M HN -0.159 nan 8.290 nan 0.000 0.439 364 P HA -0.097 nan 4.420 nan 0.000 0.261 364 P C -1.662 175.602 177.300 -0.060 0.000 1.140 364 P CA 0.993 64.059 63.100 -0.056 0.000 0.757 364 P CB -0.032 31.631 31.700 -0.060 0.000 0.735 365 L N 4.688 125.880 121.223 -0.051 0.000 2.303 365 L HA 0.614 4.954 4.340 -0.000 0.000 0.266 365 L C -1.462 175.380 176.870 -0.047 0.000 1.011 365 L CA -2.077 52.734 54.840 -0.048 0.000 0.818 365 L CB 1.705 43.745 42.059 -0.033 0.000 1.326 365 L HN 0.383 nan 8.230 nan 0.000 0.435 366 P HA 0.567 nan 4.420 nan 0.000 0.283 366 P C -1.402 175.881 177.300 -0.028 0.000 1.271 366 P CA -0.497 62.580 63.100 -0.039 0.000 0.841 366 P CB 2.188 33.863 31.700 -0.041 0.000 1.122 367 E N -0.524 119.661 120.200 -0.024 0.000 2.447 367 E HA 0.379 4.729 4.350 -0.000 0.000 0.279 367 E C -2.020 174.570 176.600 -0.016 0.000 1.053 367 E CA -1.198 55.190 56.400 -0.019 0.000 0.840 367 E CB 0.654 30.343 29.700 -0.018 0.000 1.409 367 E HN 0.575 nan 8.360 nan 0.000 0.461 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.009 0.000 0.726