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 2via_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA AAAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.219 176.300 -0.136 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 K N 0.048 120.343 120.400 -0.175 0.000 2.443 2 K HA 0.257 4.591 4.320 0.023 0.000 0.200 2 K C 0.532 176.823 176.600 -0.515 0.000 1.278 2 K CA 0.597 56.646 56.287 -0.397 0.000 0.925 2 K CB 0.557 32.730 32.500 -0.545 0.000 1.225 2 K HN 0.655 nan 8.250 nan 0.000 0.514 3 Y N 0.090 120.312 120.300 -0.130 0.000 2.522 3 Y HA 0.092 4.644 4.550 0.004 0.000 0.277 3 Y C 1.764 177.582 175.900 -0.135 0.000 1.104 3 Y CA -0.033 57.999 58.100 -0.114 0.000 1.260 3 Y CB 0.079 38.494 38.460 -0.075 0.000 1.151 3 Y HN 0.000 nan 8.280 nan 0.000 0.539 4 L N 1.622 122.841 121.223 -0.007 0.000 2.046 4 L HA -0.052 4.302 4.340 0.023 0.000 0.208 4 L C -0.949 175.801 176.870 -0.201 0.000 1.077 4 L CA 1.933 56.743 54.840 -0.050 0.000 0.747 4 L CB -1.529 40.550 42.059 0.034 0.000 0.896 4 L HN -0.015 nan 8.230 nan 0.000 0.432 5 P HA -0.199 nan 4.420 nan 0.000 0.216 5 P C 1.425 178.571 177.300 -0.256 0.000 1.150 5 P CA 1.281 63.959 63.100 -0.703 0.000 0.837 5 P CB 0.077 31.166 31.700 -1.018 0.000 0.786 6 Q N -0.413 119.272 119.800 -0.193 0.000 2.096 6 Q HA -0.162 4.192 4.340 0.023 0.000 0.197 6 Q C 2.311 178.286 176.000 -0.042 0.000 0.964 6 Q CA 1.531 57.276 55.803 -0.096 0.000 0.838 6 Q CB -0.892 27.794 28.738 -0.087 0.000 0.906 6 Q HN 0.016 nan 8.270 nan 0.000 0.444 7 Q N 0.252 120.038 119.800 -0.025 0.000 2.079 7 Q HA -0.052 4.302 4.340 0.023 0.000 0.200 7 Q C -0.362 175.644 176.000 0.011 0.000 0.974 7 Q CA 1.568 57.373 55.803 0.003 0.000 0.840 7 Q CB 0.274 29.024 28.738 0.019 0.000 0.898 7 Q HN 0.211 nan 8.270 nan 0.000 0.430 8 D N -1.370 119.042 120.400 0.019 0.000 2.429 8 D HA 0.204 4.858 4.640 0.023 0.000 0.255 8 D C -2.245 174.108 176.300 0.088 0.000 1.257 8 D CA -1.710 52.318 54.000 0.047 0.000 0.890 8 D CB 1.313 42.145 40.800 0.053 0.000 1.267 8 D HN -0.035 nan 8.370 nan 0.000 0.521 9 P HA -0.163 nan 4.420 nan 0.000 0.216 9 P C 1.411 178.788 177.300 0.129 0.000 1.153 9 P CA 1.293 64.465 63.100 0.121 0.000 0.858 9 P CB 0.534 32.278 31.700 0.073 0.000 0.789 10 Q N -0.859 118.989 119.800 0.080 0.000 2.050 10 Q HA -0.109 4.245 4.340 0.023 0.000 0.202 10 Q C 2.132 178.168 176.000 0.060 0.000 0.980 10 Q CA 1.387 57.224 55.803 0.056 0.000 0.840 10 Q CB -0.804 27.956 28.738 0.036 0.000 0.898 10 Q HN 0.109 nan 8.270 nan 0.000 0.424 11 V N 0.534 120.494 119.914 0.077 0.000 2.343 11 V HA -0.237 3.897 4.120 0.023 0.000 0.247 11 V C 1.941 178.099 176.094 0.107 0.000 1.051 11 V CA 1.690 64.035 62.300 0.075 0.000 1.036 11 V CB -0.606 31.261 31.823 0.073 0.000 0.654 11 V HN 0.308 nan 8.190 nan 0.000 0.451 12 F N 1.648 121.600 119.950 0.003 0.000 2.126 12 F HA -0.170 4.361 4.527 0.006 0.000 0.299 12 F C 2.293 178.093 175.800 0.000 0.000 1.096 12 F CA 1.375 59.376 58.000 0.002 0.000 1.255 12 F CB -0.669 38.331 39.000 0.000 0.000 0.997 12 F HN 0.076 nan 8.300 nan 0.000 0.479 13 A N 0.254 123.034 122.820 -0.066 0.000 1.940 13 A HA -0.073 4.260 4.320 0.023 0.000 0.219 13 A C 2.418 179.900 177.584 -0.170 0.000 1.176 13 A CA 1.931 53.872 52.037 -0.159 0.000 0.631 13 A CB -1.544 17.439 19.000 -0.029 0.000 0.814 13 A HN 0.504 nan 8.150 nan 0.000 0.446 14 A N -0.187 122.576 122.820 -0.096 0.000 1.898 14 A HA -0.008 4.326 4.320 0.023 0.000 0.216 14 A C 2.113 179.639 177.584 -0.097 0.000 1.181 14 A CA 1.335 53.329 52.037 -0.072 0.000 0.620 14 A CB -0.550 18.432 19.000 -0.030 0.000 0.819 14 A HN 0.481 nan 8.150 nan 0.000 0.442 15 I N -0.226 120.273 120.570 -0.118 0.000 2.163 15 I HA -0.240 3.944 4.170 0.023 0.000 0.243 15 I C 2.466 178.471 176.117 -0.186 0.000 1.085 15 I CA 1.351 62.581 61.300 -0.116 0.000 1.347 15 I CB -0.358 37.604 38.000 -0.063 0.000 1.044 15 I HN 0.325 nan 8.210 nan 0.000 0.408 16 E N 0.595 120.580 120.200 -0.358 0.000 2.077 16 E HA -0.247 4.117 4.350 0.023 0.000 0.193 16 E C 2.148 178.638 176.600 -0.183 0.000 0.989 16 E CA 1.206 57.398 56.400 -0.347 0.000 0.800 16 E CB -0.287 29.073 29.700 -0.567 0.000 0.746 16 E HN 0.599 nan 8.360 nan 0.000 0.452 17 Q N 0.340 120.051 119.800 -0.148 0.000 2.061 17 Q HA -0.219 4.135 4.340 0.023 0.000 0.204 17 Q C 2.158 178.128 176.000 -0.050 0.000 0.984 17 Q CA 1.710 57.465 55.803 -0.080 0.000 0.846 17 Q CB -0.114 28.587 28.738 -0.061 0.000 0.902 17 Q HN 0.104 nan 8.270 nan 0.000 0.421 18 E N 1.001 121.172 120.200 -0.050 0.000 2.072 18 E HA -0.192 4.171 4.350 0.023 0.000 0.191 18 E C 1.822 178.420 176.600 -0.004 0.000 0.985 18 E CA 1.313 57.703 56.400 -0.017 0.000 0.801 18 E CB -0.068 29.625 29.700 -0.013 0.000 0.750 18 E HN 0.175 nan 8.360 nan 0.000 0.452 19 R N 0.231 120.713 120.500 -0.030 0.000 2.083 19 R HA -0.134 4.220 4.340 0.023 0.000 0.237 19 R C 2.139 178.433 176.300 -0.010 0.000 1.137 19 R CA 1.940 58.025 56.100 -0.024 0.000 0.951 19 R CB -0.071 30.196 30.300 -0.055 0.000 0.851 19 R HN 0.073 nan 8.270 nan 0.000 0.434 20 K N -0.273 120.115 120.400 -0.020 0.000 2.097 20 K HA -0.134 4.200 4.320 0.023 0.000 0.205 20 K C 2.263 178.895 176.600 0.053 0.000 1.050 20 K CA 1.155 57.451 56.287 0.014 0.000 0.938 20 K CB -0.166 32.328 32.500 -0.010 0.000 0.718 20 K HN 0.134 nan 8.250 nan 0.000 0.442 21 R N 1.511 122.029 120.500 0.031 0.000 2.083 21 R HA -0.178 4.176 4.340 0.023 0.000 0.237 21 R C 2.088 178.422 176.300 0.057 0.000 1.137 21 R CA 1.711 57.834 56.100 0.038 0.000 0.951 21 R CB -0.044 30.273 30.300 0.029 0.000 0.851 21 R HN 0.290 nan 8.270 nan 0.000 0.434 22 Q N -1.357 118.486 119.800 0.071 0.000 2.226 22 Q HA -0.226 4.128 4.340 0.023 0.000 0.204 22 Q C 1.825 177.829 176.000 0.007 0.000 0.975 22 Q CA 1.761 57.628 55.803 0.107 0.000 0.866 22 Q CB -0.132 28.697 28.738 0.152 0.000 0.915 22 Q HN 0.530 nan 8.270 nan 0.000 0.440 23 H N -0.300 118.715 119.070 -0.091 0.000 2.415 23 H HA 0.117 4.686 4.556 0.023 0.000 0.297 23 H C 1.755 177.057 175.328 -0.043 0.000 1.048 23 H CA 1.347 57.326 56.048 -0.115 0.000 1.365 23 H CB 0.116 29.820 29.762 -0.097 0.000 1.421 23 H HN 0.191 nan 8.280 nan 0.000 0.533 24 A N 0.897 123.671 122.820 -0.078 0.000 1.970 24 A HA 0.075 4.409 4.320 0.023 0.000 0.216 24 A C 0.934 178.478 177.584 -0.066 0.000 1.170 24 A CA 0.373 52.354 52.037 -0.094 0.000 0.645 24 A CB 0.034 19.041 19.000 0.012 0.000 0.816 24 A HN 0.147 nan 8.150 nan 0.000 0.447 25 K N -0.091 120.294 120.400 -0.024 0.000 2.098 25 K HA 0.479 4.813 4.320 0.023 0.000 0.257 25 K C -0.734 175.873 176.600 0.011 0.000 0.999 25 K CA -0.360 55.932 56.287 0.008 0.000 0.924 25 K CB 1.035 33.554 32.500 0.032 0.000 1.028 25 K HN 0.238 nan 8.250 nan 0.000 0.466 26 I N 2.206 122.795 120.570 0.032 0.000 2.291 26 I HA 0.002 4.186 4.170 0.023 0.000 0.292 26 I C 0.430 176.562 176.117 0.025 0.000 1.064 26 I CA -0.453 60.869 61.300 0.036 0.000 1.269 26 I CB 0.495 38.552 38.000 0.095 0.000 1.418 26 I HN 0.374 nan 8.210 nan 0.000 0.485 27 E N 7.399 127.612 120.200 0.022 0.000 1.996 27 E HA 0.214 4.578 4.350 0.023 0.000 0.280 27 E C -0.039 176.551 176.600 -0.016 0.000 1.092 27 E CA 0.136 56.549 56.400 0.022 0.000 0.862 27 E CB 0.461 30.205 29.700 0.073 0.000 1.066 27 E HN 0.563 nan 8.360 nan 0.000 0.396 28 L N 4.831 126.048 121.223 -0.009 0.000 2.857 28 L HA 0.279 4.633 4.340 0.023 0.000 0.249 28 L C 0.151 177.016 176.870 -0.009 0.000 1.172 28 L CA -0.512 54.322 54.840 -0.011 0.000 0.980 28 L CB 0.134 42.189 42.059 -0.007 0.000 1.299 28 L HN 0.466 nan 8.230 nan 0.000 0.535 29 I N 1.536 122.099 120.570 -0.012 0.000 2.752 29 I HA -0.099 4.085 4.170 0.023 0.000 0.286 29 I C 1.731 177.865 176.117 0.028 0.000 1.180 29 I CA 0.433 61.736 61.300 0.005 0.000 1.404 29 I CB 0.500 38.498 38.000 -0.002 0.000 1.389 29 I HN 0.157 nan 8.210 nan 0.000 0.549 30 A N 5.596 128.460 122.820 0.073 0.000 2.019 30 A HA -0.138 4.196 4.320 0.023 0.000 0.219 30 A C 1.978 179.705 177.584 0.237 0.000 1.164 30 A CA 1.763 53.893 52.037 0.155 0.000 0.644 30 A CB -0.366 18.709 19.000 0.124 0.000 0.805 30 A HN 0.797 nan 8.150 nan 0.000 0.449 31 S N -0.918 114.869 115.700 0.145 0.000 2.575 31 S HA 0.205 4.689 4.470 0.023 0.000 0.215 31 S C 0.335 174.905 174.600 -0.050 0.000 0.966 31 S CA -0.315 57.855 58.200 -0.050 0.000 0.911 31 S CB 0.060 63.236 63.200 -0.040 0.000 0.780 31 S HN 0.617 nan 8.310 nan 0.000 0.514 32 E N 1.066 121.241 120.200 -0.042 0.000 2.232 32 E HA 0.562 4.926 4.350 0.023 0.000 0.265 32 E C -0.592 175.891 176.600 -0.195 0.000 1.001 32 E CA -0.793 55.538 56.400 -0.115 0.000 0.870 32 E CB 0.838 30.444 29.700 -0.157 0.000 1.175 32 E HN 0.145 nan 8.360 nan 0.000 0.407 33 N N 0.029 118.543 118.700 -0.311 0.000 3.277 33 N HA 0.354 5.108 4.740 0.023 0.000 0.278 33 N C -1.943 173.221 175.510 -0.576 0.000 1.544 33 N CA -0.553 52.272 53.050 -0.376 0.000 0.869 33 N CB 0.958 39.396 38.487 -0.081 0.000 1.584 33 N HN 0.211 nan 8.380 nan 0.000 0.564 34 F N 1.106 121.066 119.950 0.017 0.000 2.460 34 F HA 0.364 4.901 4.527 0.016 0.000 0.341 34 F C 0.658 176.452 175.800 -0.010 0.000 1.130 34 F CA -0.875 57.124 58.000 -0.002 0.000 0.962 34 F CB 1.167 40.159 39.000 -0.014 0.000 1.171 34 F HN 0.142 nan 8.300 nan 0.000 0.436 35 V N 0.476 120.483 119.914 0.156 0.000 3.003 35 V HA 0.613 4.747 4.120 0.023 0.000 0.305 35 V C 0.441 176.577 176.094 0.070 0.000 1.078 35 V CA -0.831 61.518 62.300 0.081 0.000 1.083 35 V CB 1.035 32.886 31.823 0.047 0.000 1.039 35 V HN 0.830 nan 8.190 nan 0.000 0.481 36 S N 3.082 118.802 115.700 0.034 0.000 2.600 36 S HA 0.322 4.806 4.470 0.023 0.000 0.265 36 S C 0.925 175.534 174.600 0.014 0.000 1.325 36 S CA -0.151 58.060 58.200 0.019 0.000 1.002 36 S CB 0.663 63.867 63.200 0.006 0.000 0.921 36 S HN 0.764 nan 8.310 nan 0.000 0.554 37 R N 0.812 121.317 120.500 0.009 0.000 2.120 37 R HA -0.070 4.284 4.340 0.023 0.000 0.234 37 R C 2.577 178.878 176.300 0.002 0.000 1.123 37 R CA 1.314 57.419 56.100 0.007 0.000 0.975 37 R CB -0.984 29.318 30.300 0.003 0.000 0.866 37 R HN 0.823 nan 8.270 nan 0.000 0.446 38 A N 0.717 123.535 122.820 -0.003 0.000 1.902 38 A HA -0.128 4.206 4.320 0.023 0.000 0.217 38 A C 2.347 179.921 177.584 -0.017 0.000 1.181 38 A CA 1.425 53.456 52.037 -0.010 0.000 0.623 38 A CB -0.579 18.413 19.000 -0.013 0.000 0.818 38 A HN 0.115 nan 8.150 nan 0.000 0.443 39 V N -0.038 119.864 119.914 -0.020 0.000 2.287 39 V HA -0.345 3.789 4.120 0.023 0.000 0.248 39 V C 2.670 178.752 176.094 -0.020 0.000 1.053 39 V CA 2.369 64.649 62.300 -0.033 0.000 1.027 39 V CB -0.695 31.109 31.823 -0.033 0.000 0.646 39 V HN 0.584 nan 8.190 nan 0.000 0.447 40 M N -0.814 118.784 119.600 -0.003 0.000 2.117 40 M HA -0.214 4.280 4.480 0.023 0.000 0.262 40 M C 2.224 178.530 176.300 0.009 0.000 1.065 40 M CA 1.878 57.183 55.300 0.007 0.000 1.114 40 M CB -0.544 32.066 32.600 0.018 0.000 1.361 40 M HN 0.375 nan 8.290 nan 0.000 0.408 41 E N 0.396 120.598 120.200 0.005 0.000 2.085 41 E HA -0.188 4.176 4.350 0.023 0.000 0.194 41 E C 2.089 178.690 176.600 0.002 0.000 0.994 41 E CA 1.299 57.702 56.400 0.005 0.000 0.801 41 E CB -0.167 29.533 29.700 0.001 0.000 0.743 41 E HN 0.515 nan 8.360 nan 0.000 0.453 42 A N 1.384 124.200 122.820 -0.006 0.000 1.883 42 A HA -0.266 4.068 4.320 0.023 0.000 0.217 42 A C 2.059 179.656 177.584 0.022 0.000 1.186 42 A CA 1.466 53.499 52.037 -0.007 0.000 0.624 42 A CB -0.483 18.497 19.000 -0.033 0.000 0.822 42 A HN 0.206 nan 8.150 nan 0.000 0.444 43 Q N -1.014 118.800 119.800 0.023 0.000 2.226 43 Q HA -0.100 4.254 4.340 0.023 0.000 0.204 43 Q C 1.710 177.779 176.000 0.115 0.000 0.975 43 Q CA 1.097 56.948 55.803 0.079 0.000 0.866 43 Q CB -0.324 28.437 28.738 0.038 0.000 0.915 43 Q HN 0.658 nan 8.270 nan 0.000 0.440 44 G N 1.181 110.008 108.800 0.045 0.000 3.314 44 G HA2 0.055 4.029 3.960 0.023 0.000 0.238 44 G HA3 0.055 4.029 3.960 0.023 0.000 0.238 44 G C 0.310 175.199 174.900 -0.019 0.000 1.184 44 G CA 0.020 45.127 45.100 0.012 0.000 0.806 44 G HN 0.261 nan 8.290 nan 0.000 0.536 45 S N -0.816 114.876 115.700 -0.013 0.000 2.707 45 S HA 0.295 4.779 4.470 0.023 0.000 0.276 45 S C 1.548 176.098 174.600 -0.083 0.000 1.179 45 S CA 0.046 58.225 58.200 -0.034 0.000 0.992 45 S CB 1.515 64.710 63.200 -0.009 0.000 1.030 45 S HN 0.529 nan 8.310 nan 0.000 0.554 46 V N -0.758 119.110 119.914 -0.078 0.000 3.383 46 V HA 0.040 4.174 4.120 0.023 0.000 0.272 46 V C 1.684 177.719 176.094 -0.098 0.000 1.181 46 V CA 0.832 63.073 62.300 -0.098 0.000 1.171 46 V CB -1.438 30.340 31.823 -0.075 0.000 0.800 46 V HN 0.686 nan 8.190 nan 0.000 0.515 47 L N 0.968 122.152 121.223 -0.065 0.000 2.265 47 L HA -0.095 4.259 4.340 0.023 0.000 0.215 47 L C 2.762 179.583 176.870 -0.082 0.000 1.117 47 L CA 2.296 57.118 54.840 -0.031 0.000 0.782 47 L CB -1.291 40.792 42.059 0.040 0.000 0.914 47 L HN 0.526 nan 8.230 nan 0.000 0.441 48 T N -0.950 113.422 114.554 -0.302 0.000 2.849 48 T HA -0.199 4.164 4.350 0.023 0.000 0.270 48 T C 1.588 176.124 174.700 -0.274 0.000 1.066 48 T CA 1.872 63.649 62.100 -0.539 0.000 1.130 48 T CB -0.382 67.942 68.868 -0.907 0.000 0.864 48 T HN 0.536 nan 8.240 nan 0.000 0.481 49 N N -0.083 118.501 118.700 -0.194 0.000 2.512 49 N HA 0.018 4.772 4.740 0.023 0.000 0.183 49 N C 0.342 175.776 175.510 -0.127 0.000 1.073 49 N CA 0.210 53.176 53.050 -0.140 0.000 0.911 49 N CB 0.127 38.555 38.487 -0.099 0.000 0.964 49 N HN 0.100 nan 8.380 nan 0.000 0.447 50 K N 0.870 121.187 120.400 -0.139 0.000 2.253 50 K HA 0.147 4.481 4.320 0.023 0.000 0.277 50 K C -1.467 174.986 176.600 -0.244 0.000 1.053 50 K CA -0.526 55.681 56.287 -0.133 0.000 0.892 50 K CB 0.055 32.506 32.500 -0.081 0.000 1.102 50 K HN -0.057 nan 8.250 nan 0.000 0.469 51 Y N 2.360 122.452 120.300 -0.347 0.000 2.402 51 Y HA 0.321 4.889 4.550 0.030 0.000 0.333 51 Y C 0.570 176.057 175.900 -0.689 0.000 1.076 51 Y CA 0.470 58.188 58.100 -0.636 0.000 1.299 51 Y CB 1.242 39.052 38.460 -1.084 0.000 1.197 51 Y HN 0.708 nan 8.280 nan 0.000 0.517 52 A N 4.150 126.809 122.820 -0.269 0.000 2.843 52 A HA 0.249 4.583 4.320 0.023 0.000 0.248 52 A C -0.170 177.359 177.584 -0.091 0.000 0.904 52 A CA -0.589 51.378 52.037 -0.117 0.000 1.091 52 A CB -0.316 18.615 19.000 -0.115 0.000 1.208 52 A HN 0.770 nan 8.150 nan 0.000 0.476 53 E N 0.260 120.474 120.200 0.023 0.000 2.481 53 E HA 0.364 4.728 4.350 0.023 0.000 0.263 53 E C 1.002 177.469 176.600 -0.221 0.000 0.992 53 E CA 1.379 57.569 56.400 -0.349 0.000 0.938 53 E CB 0.529 30.018 29.700 -0.352 0.000 0.933 53 E HN 1.103 nan 8.360 nan 0.000 0.453 54 G N 1.341 109.842 108.800 -0.498 0.000 2.472 54 G HA2 -0.212 3.762 3.960 0.023 0.000 0.205 54 G HA3 -0.212 3.762 3.960 0.023 0.000 0.205 54 G C -1.469 173.106 174.900 -0.542 0.000 1.270 54 G CA -0.689 44.330 45.100 -0.136 0.000 0.974 54 G HN 0.439 nan 8.290 nan 0.000 0.542 55 Y N -0.258 120.053 120.300 0.018 0.000 2.605 55 Y HA 0.606 5.170 4.550 0.024 0.000 0.343 55 Y C -2.058 173.838 175.900 -0.005 0.000 1.036 55 Y CA -1.837 56.281 58.100 0.031 0.000 1.065 55 Y CB 1.961 40.471 38.460 0.084 0.000 1.288 55 Y HN 0.439 nan 8.280 nan 0.000 0.481 56 P HA 0.036 nan 4.420 nan 0.000 0.260 56 P C 0.600 177.935 177.300 0.058 0.000 1.172 56 P CA 2.162 65.309 63.100 0.079 0.000 0.760 56 P CB 0.201 31.953 31.700 0.088 0.000 0.773 57 G N 3.136 111.943 108.800 0.010 0.000 2.189 57 G HA2 -0.276 3.698 3.960 0.023 0.000 0.267 57 G HA3 -0.276 3.698 3.960 0.023 0.000 0.267 57 G C 0.473 175.359 174.900 -0.024 0.000 0.975 57 G CA -0.191 44.905 45.100 -0.007 0.000 0.644 57 G HN 0.567 nan 8.290 nan 0.000 0.537 58 R N -0.047 120.435 120.500 -0.031 0.000 2.647 58 R HA 0.244 4.598 4.340 0.023 0.000 0.295 58 R C 0.347 176.496 176.300 -0.251 0.000 1.267 58 R CA -0.459 55.584 56.100 -0.097 0.000 1.386 58 R CB 0.389 30.691 30.300 0.003 0.000 1.309 58 R HN 0.268 nan 8.270 nan 0.000 0.692 59 R N 0.017 120.364 120.500 -0.254 0.000 2.596 59 R HA 0.313 4.667 4.340 0.023 0.000 0.267 59 R C 0.302 176.328 176.300 -0.457 0.000 1.026 59 R CA -0.437 55.494 56.100 -0.282 0.000 1.087 59 R CB 0.588 30.849 30.300 -0.065 0.000 1.132 59 R HN 0.151 nan 8.270 nan 0.000 0.531 60 Y N -0.426 119.895 120.300 0.035 0.000 2.607 60 Y HA 0.284 4.847 4.550 0.022 0.000 0.266 60 Y C -0.481 175.194 175.900 -0.375 0.000 1.178 60 Y CA -0.186 57.839 58.100 -0.126 0.000 1.226 60 Y CB 0.210 38.587 38.460 -0.137 0.000 1.144 60 Y HN 0.382 nan 8.280 nan 0.000 0.528 61 Y N -0.908 119.415 120.300 0.038 0.000 2.504 61 Y HA 0.598 5.165 4.550 0.028 0.000 0.344 61 Y C 0.759 176.651 175.900 -0.013 0.000 1.023 61 Y CA -1.865 56.248 58.100 0.022 0.000 1.020 61 Y CB 1.366 39.848 38.460 0.036 0.000 1.282 61 Y HN 0.010 nan 8.280 nan 0.000 0.454 62 G N 0.094 108.974 108.800 0.132 0.000 2.651 62 G HA2 0.392 4.366 3.960 0.023 0.000 0.260 62 G HA3 0.392 4.366 3.960 0.023 0.000 0.260 62 G C 0.854 175.784 174.900 0.051 0.000 1.216 62 G CA 0.005 45.140 45.100 0.058 0.000 0.913 62 G HN 1.479 nan 8.290 nan 0.000 0.535 63 G N -2.175 106.619 108.800 -0.010 0.000 2.143 63 G HA2 -0.292 3.682 3.960 0.023 0.000 0.248 63 G HA3 -0.292 3.682 3.960 0.023 0.000 0.248 63 G C 0.893 175.747 174.900 -0.076 0.000 0.991 63 G CA 0.576 45.653 45.100 -0.039 0.000 0.689 63 G HN 0.948 nan 8.290 nan 0.000 0.522 64 C N 0.320 119.571 119.300 -0.082 0.000 2.625 64 C HA 0.338 4.812 4.460 0.023 0.000 0.285 64 C C 2.266 177.157 174.990 -0.164 0.000 1.279 64 C CA 0.421 59.388 59.018 -0.085 0.000 1.698 64 C CB -0.622 27.095 27.740 -0.038 0.000 1.821 64 C HN 0.649 nan 8.230 nan 0.000 0.600 65 E N 0.796 120.797 120.200 -0.332 0.000 2.097 65 E HA -0.214 4.150 4.350 0.023 0.000 0.196 65 E C 1.204 177.574 176.600 -0.384 0.000 1.000 65 E CA 1.876 58.004 56.400 -0.454 0.000 0.804 65 E CB -0.226 29.028 29.700 -0.744 0.000 0.740 65 E HN 0.812 nan 8.360 nan 0.000 0.454 66 Y N -0.851 119.448 120.300 -0.001 0.000 2.347 66 Y HA -0.036 4.527 4.550 0.022 0.000 0.294 66 Y C 2.321 178.216 175.900 -0.007 0.000 1.117 66 Y CA 0.357 58.455 58.100 -0.004 0.000 1.184 66 Y CB -0.253 38.202 38.460 -0.008 0.000 1.047 66 Y HN 0.003 nan 8.280 nan 0.000 0.546 67 V N -1.824 118.145 119.914 0.092 0.000 2.626 67 V HA -0.196 3.938 4.120 0.023 0.000 0.252 67 V C 1.319 177.426 176.094 0.020 0.000 1.067 67 V CA 1.974 64.298 62.300 0.041 0.000 1.081 67 V CB -0.470 31.356 31.823 0.006 0.000 0.686 67 V HN 0.188 nan 8.190 nan 0.000 0.468 68 D N 0.985 121.388 120.400 0.004 0.000 2.117 68 D HA -0.070 4.583 4.640 0.023 0.000 0.197 68 D C 2.061 178.381 176.300 0.033 0.000 0.987 68 D CA 1.897 55.903 54.000 0.009 0.000 0.829 68 D CB -0.271 40.520 40.800 -0.016 0.000 0.961 68 D HN 0.527 nan 8.370 nan 0.000 0.460 69 I N 0.182 120.781 120.570 0.049 0.000 2.226 69 I HA -0.236 3.948 4.170 0.023 0.000 0.245 69 I C 2.368 178.516 176.117 0.051 0.000 1.100 69 I CA 0.596 61.933 61.300 0.061 0.000 1.374 69 I CB -0.143 37.915 38.000 0.097 0.000 1.057 69 I HN -0.095 nan 8.210 nan 0.000 0.413 70 V N 0.693 120.636 119.914 0.048 0.000 2.295 70 V HA -0.324 3.810 4.120 0.023 0.000 0.246 70 V C 2.492 178.601 176.094 0.024 0.000 1.049 70 V CA 2.311 64.628 62.300 0.028 0.000 1.024 70 V CB -0.616 31.219 31.823 0.020 0.000 0.648 70 V HN 0.496 nan 8.190 nan 0.000 0.447 71 E N -0.127 120.090 120.200 0.029 0.000 2.106 71 E HA -0.284 4.080 4.350 0.023 0.000 0.192 71 E C 2.154 178.791 176.600 0.062 0.000 0.984 71 E CA 1.438 57.862 56.400 0.040 0.000 0.806 71 E CB -0.038 29.687 29.700 0.042 0.000 0.750 71 E HN 0.596 nan 8.360 nan 0.000 0.458 72 E N 0.518 120.753 120.200 0.059 0.000 2.106 72 E HA -0.125 4.238 4.350 0.023 0.000 0.192 72 E C 2.015 178.652 176.600 0.061 0.000 0.984 72 E CA 0.852 57.289 56.400 0.061 0.000 0.806 72 E CB -0.232 29.500 29.700 0.054 0.000 0.750 72 E HN 0.334 nan 8.360 nan 0.000 0.458 73 L N -0.078 121.179 121.223 0.055 0.000 2.012 73 L HA -0.235 4.119 4.340 0.023 0.000 0.210 73 L C 2.506 179.435 176.870 0.098 0.000 1.073 73 L CA 1.395 56.270 54.840 0.059 0.000 0.748 73 L CB -0.682 41.401 42.059 0.039 0.000 0.891 73 L HN 0.226 nan 8.230 nan 0.000 0.431 74 A N 0.047 122.928 122.820 0.102 0.000 1.883 74 A HA -0.220 4.114 4.320 0.023 0.000 0.217 74 A C 2.387 180.138 177.584 0.279 0.000 1.186 74 A CA 1.681 53.842 52.037 0.206 0.000 0.624 74 A CB -0.510 18.553 19.000 0.105 0.000 0.822 74 A HN 0.337 nan 8.150 nan 0.000 0.444 75 R N -0.693 119.895 120.500 0.146 0.000 2.073 75 R HA -0.100 4.254 4.340 0.023 0.000 0.234 75 R C 2.087 178.416 176.300 0.048 0.000 1.134 75 R CA 1.343 57.488 56.100 0.075 0.000 0.952 75 R CB -0.359 29.956 30.300 0.025 0.000 0.850 75 R HN 0.484 nan 8.270 nan 0.000 0.433 76 E N 0.742 120.976 120.200 0.056 0.000 2.072 76 E HA -0.144 4.220 4.350 0.023 0.000 0.191 76 E C 2.052 178.668 176.600 0.026 0.000 0.985 76 E CA 1.129 57.550 56.400 0.035 0.000 0.801 76 E CB -0.099 29.622 29.700 0.036 0.000 0.750 76 E HN 0.307 nan 8.360 nan 0.000 0.452 77 R N 0.542 121.081 120.500 0.064 0.000 2.092 77 R HA -0.016 4.338 4.340 0.023 0.000 0.231 77 R C 2.345 178.602 176.300 -0.071 0.000 1.119 77 R CA 1.142 57.270 56.100 0.046 0.000 0.970 77 R CB -0.300 30.094 30.300 0.156 0.000 0.864 77 R HN 0.100 nan 8.270 nan 0.000 0.440 78 A N 1.524 124.281 122.820 -0.104 0.000 1.902 78 A HA -0.198 4.136 4.320 0.023 0.000 0.217 78 A C 1.880 179.417 177.584 -0.079 0.000 1.181 78 A CA 1.433 53.292 52.037 -0.296 0.000 0.623 78 A CB -0.242 18.590 19.000 -0.280 0.000 0.818 78 A HN 0.188 nan 8.150 nan 0.000 0.443 79 K N -0.767 119.609 120.400 -0.039 0.000 2.057 79 K HA -0.184 4.150 4.320 0.023 0.000 0.207 79 K C 2.388 178.970 176.600 -0.031 0.000 1.049 79 K CA 1.571 57.853 56.287 -0.007 0.000 0.931 79 K CB -0.158 32.341 32.500 -0.002 0.000 0.714 79 K HN 0.659 nan 8.250 nan 0.000 0.440 80 Q N 0.866 120.629 119.800 -0.063 0.000 2.084 80 Q HA -0.127 4.227 4.340 0.023 0.000 0.202 80 Q C 2.059 177.961 176.000 -0.163 0.000 0.978 80 Q CA 1.143 56.896 55.803 -0.083 0.000 0.844 80 Q CB 0.040 28.738 28.738 -0.066 0.000 0.898 80 Q HN 0.294 nan 8.270 nan 0.000 0.426 81 L N -0.834 120.212 121.223 -0.296 0.000 2.083 81 L HA -0.141 4.213 4.340 0.023 0.000 0.209 81 L C 1.306 177.748 176.870 -0.714 0.000 1.083 81 L CA 1.066 55.545 54.840 -0.602 0.000 0.752 81 L CB -0.023 41.442 42.059 -0.989 0.000 0.899 81 L HN 0.253 nan 8.230 nan 0.000 0.433 82 F N -1.337 118.547 119.950 -0.109 0.000 2.706 82 F HA 0.337 4.876 4.527 0.021 0.000 0.313 82 F C 1.595 177.360 175.800 -0.058 0.000 1.096 82 F CA 0.200 58.150 58.000 -0.082 0.000 1.219 82 F CB 0.043 38.973 39.000 -0.115 0.000 1.051 82 F HN 0.023 nan 8.300 nan 0.000 0.568 83 G N 1.443 110.278 108.800 0.059 0.000 2.249 83 G HA2 -0.115 3.859 3.960 0.023 0.000 0.273 83 G HA3 -0.115 3.859 3.960 0.023 0.000 0.273 83 G C 0.290 175.214 174.900 0.040 0.000 1.036 83 G CA 0.123 45.243 45.100 0.032 0.000 0.824 83 G HN 0.659 nan 8.290 nan 0.000 0.504 84 A N -0.909 121.946 122.820 0.059 0.000 2.302 84 A HA 0.761 5.095 4.320 0.023 0.000 0.285 84 A C 1.041 178.650 177.584 0.041 0.000 1.105 84 A CA 0.459 52.522 52.037 0.043 0.000 0.816 84 A CB 0.612 19.636 19.000 0.040 0.000 1.067 84 A HN 0.407 nan 8.150 nan 0.000 0.489 85 E N -0.711 119.521 120.200 0.054 0.000 2.230 85 E HA -0.018 4.346 4.350 0.023 0.000 0.192 85 E C -0.215 176.464 176.600 0.132 0.000 0.987 85 E CA 0.863 57.304 56.400 0.069 0.000 0.841 85 E CB 0.099 29.831 29.700 0.053 0.000 0.783 85 E HN 0.740 nan 8.360 nan 0.000 0.481 86 H N -0.947 118.138 119.070 0.025 0.000 2.894 86 H HA 0.571 5.142 4.556 0.025 0.000 0.367 86 H C -1.719 173.631 175.328 0.036 0.000 1.144 86 H CA -0.633 55.433 56.048 0.030 0.000 1.180 86 H CB 1.640 31.424 29.762 0.037 0.000 1.758 86 H HN -0.008 nan 8.280 nan 0.000 0.541 87 A N 4.025 126.497 122.820 -0.581 0.000 2.386 87 A HA 0.454 4.788 4.320 0.023 0.000 0.311 87 A C -1.082 176.203 177.584 -0.498 0.000 1.068 87 A CA -0.868 50.945 52.037 -0.374 0.000 0.743 87 A CB 1.232 20.139 19.000 -0.155 0.000 1.258 87 A HN 0.724 nan 8.150 nan 0.000 0.429 88 N N 1.919 120.517 118.700 -0.170 0.000 2.483 88 N HA 0.315 5.069 4.740 0.023 0.000 0.267 88 N C 0.041 175.588 175.510 0.061 0.000 0.998 88 N CA -0.167 52.886 53.050 0.005 0.000 0.918 88 N CB 1.897 40.455 38.487 0.119 0.000 1.215 88 N HN 0.702 nan 8.380 nan 0.000 0.500 89 V N 1.297 121.270 119.914 0.098 0.000 3.444 89 V HA 0.228 4.362 4.120 0.023 0.000 0.308 89 V C 1.268 177.401 176.094 0.064 0.000 1.371 89 V CA 0.284 62.650 62.300 0.109 0.000 1.141 89 V CB -0.029 31.883 31.823 0.149 0.000 1.037 89 V HN 0.536 nan 8.190 nan 0.000 0.433 90 Q N 0.666 120.503 119.800 0.061 0.000 2.389 90 Q HA 0.171 4.524 4.340 0.023 0.000 0.204 90 Q C -1.592 174.347 176.000 -0.102 0.000 0.944 90 Q CA -0.413 55.379 55.803 -0.018 0.000 0.908 90 Q CB -0.734 27.992 28.738 -0.019 0.000 1.002 90 Q HN 0.562 nan 8.270 nan 0.000 0.493 91 P HA -0.092 nan 4.420 nan 0.000 0.264 91 P C -0.082 177.179 177.300 -0.064 0.000 1.193 91 P CA 0.515 63.551 63.100 -0.107 0.000 0.763 91 P CB 0.438 32.118 31.700 -0.034 0.000 0.810 92 H N 0.518 119.579 119.070 -0.016 0.000 2.491 92 H HA 0.009 4.579 4.556 0.023 0.000 0.290 92 H C 1.001 176.319 175.328 -0.017 0.000 1.050 92 H CA 1.158 57.186 56.048 -0.033 0.000 1.309 92 H CB 0.070 29.807 29.762 -0.041 0.000 1.392 92 H HN 0.510 nan 8.280 nan 0.000 0.554 93 S N -2.881 112.885 115.700 0.110 0.000 2.636 93 S HA 0.384 4.868 4.470 0.023 0.000 0.266 93 S C 1.280 175.931 174.600 0.084 0.000 1.147 93 S CA -0.370 57.894 58.200 0.107 0.000 0.815 93 S CB 1.019 64.276 63.200 0.094 0.000 1.119 93 S HN 0.096 nan 8.310 nan 0.000 0.470 94 G N 0.794 109.653 108.800 0.099 0.000 2.418 94 G HA2 0.108 4.082 3.960 0.023 0.000 0.217 94 G HA3 0.108 4.082 3.960 0.023 0.000 0.217 94 G C 1.558 176.497 174.900 0.065 0.000 1.158 94 G CA 1.215 46.336 45.100 0.036 0.000 0.771 94 G HN 1.397 nan 8.290 nan 0.000 0.545 95 A N 0.285 123.176 122.820 0.118 0.000 1.892 95 A HA -0.164 4.170 4.320 0.023 0.000 0.218 95 A C 2.382 180.018 177.584 0.087 0.000 1.188 95 A CA 2.319 54.467 52.037 0.184 0.000 0.631 95 A CB -0.453 18.653 19.000 0.178 0.000 0.822 95 A HN 0.358 nan 8.150 nan 0.000 0.447 96 Q N -0.695 119.114 119.800 0.015 0.000 2.172 96 Q HA 0.149 4.503 4.340 0.023 0.000 0.200 96 Q C 2.301 178.267 176.000 -0.057 0.000 0.964 96 Q CA 1.515 57.285 55.803 -0.056 0.000 0.855 96 Q CB -0.635 28.073 28.738 -0.049 0.000 0.918 96 Q HN 0.649 nan 8.270 nan 0.000 0.444 97 A N 0.898 123.699 122.820 -0.031 0.000 1.883 97 A HA -0.242 4.092 4.320 0.023 0.000 0.217 97 A C 1.798 179.320 177.584 -0.104 0.000 1.186 97 A CA 1.845 53.851 52.037 -0.051 0.000 0.624 97 A CB -0.629 18.349 19.000 -0.037 0.000 0.822 97 A HN 0.342 nan 8.150 nan 0.000 0.444 98 N N -0.661 117.980 118.700 -0.099 0.000 2.142 98 N HA -0.139 4.615 4.740 0.023 0.000 0.186 98 N C 1.731 177.004 175.510 -0.395 0.000 1.023 98 N CA 1.637 54.514 53.050 -0.287 0.000 0.852 98 N CB -0.537 37.873 38.487 -0.129 0.000 0.998 98 N HN 0.626 nan 8.380 nan 0.000 0.424 99 M N 0.618 120.220 119.600 0.003 0.000 2.106 99 M HA -0.177 4.317 4.480 0.023 0.000 0.259 99 M C 1.818 178.158 176.300 0.066 0.000 1.068 99 M CA 1.737 57.105 55.300 0.113 0.000 1.100 99 M CB -0.019 32.412 32.600 -0.282 0.000 1.351 99 M HN 0.196 nan 8.290 nan 0.000 0.404 100 A N -0.657 122.136 122.820 -0.045 0.000 1.898 100 A HA -0.096 4.238 4.320 0.023 0.000 0.216 100 A C 2.009 179.575 177.584 -0.030 0.000 1.181 100 A CA 1.724 53.759 52.037 -0.004 0.000 0.620 100 A CB -1.014 17.969 19.000 -0.030 0.000 0.819 100 A HN 0.419 nan 8.150 nan 0.000 0.442 101 V N -0.949 118.843 119.914 -0.202 0.000 2.343 101 V HA -0.267 3.867 4.120 0.023 0.000 0.247 101 V C 2.441 178.370 176.094 -0.275 0.000 1.051 101 V CA 1.870 63.925 62.300 -0.409 0.000 1.036 101 V CB -1.125 30.396 31.823 -0.504 0.000 0.654 101 V HN 0.628 nan 8.190 nan 0.000 0.451 102 Y N -0.825 119.412 120.300 -0.104 0.000 2.165 102 Y HA -0.211 4.353 4.550 0.025 0.000 0.286 102 Y C 2.296 178.187 175.900 -0.014 0.000 1.155 102 Y CA 1.002 59.017 58.100 -0.142 0.000 1.164 102 Y CB -1.257 37.214 38.460 0.018 0.000 0.978 102 Y HN 0.282 nan 8.280 nan 0.000 0.513 103 F N 0.671 120.719 119.950 0.164 0.000 2.216 103 F HA -0.206 4.336 4.527 0.025 0.000 0.300 103 F C 2.174 177.979 175.800 0.008 0.000 1.085 103 F CA 1.830 59.908 58.000 0.129 0.000 1.326 103 F CB -0.449 38.606 39.000 0.092 0.000 1.027 103 F HN -0.044 nan 8.300 nan 0.000 0.497 104 T N -0.604 113.932 114.554 -0.030 0.000 2.770 104 T HA -0.109 4.255 4.350 0.023 0.000 0.263 104 T C 1.908 176.462 174.700 -0.243 0.000 1.039 104 T CA 1.989 63.989 62.100 -0.166 0.000 1.142 104 T CB -0.430 68.275 68.868 -0.272 0.000 0.868 104 T HN 0.248 nan 8.240 nan 0.000 0.435 105 V N -1.953 117.768 119.914 -0.321 0.000 3.645 105 V HA 0.490 4.624 4.120 0.023 0.000 0.275 105 V C 0.361 176.342 176.094 -0.188 0.000 1.356 105 V CA -0.202 61.892 62.300 -0.343 0.000 1.051 105 V CB -0.396 30.993 31.823 -0.724 0.000 0.828 105 V HN 0.221 nan 8.190 nan 0.000 0.441 106 L N 2.084 123.209 121.223 -0.164 0.000 2.334 106 L HA 0.670 5.024 4.340 0.023 0.000 0.273 106 L C -0.003 176.897 176.870 0.051 0.000 1.013 106 L CA -0.612 54.169 54.840 -0.099 0.000 0.816 106 L CB 1.949 43.801 42.059 -0.344 0.000 1.278 106 L HN 0.412 nan 8.230 nan 0.000 0.431 107 E N 1.087 121.346 120.200 0.098 0.000 2.227 107 E HA 0.206 4.570 4.350 0.023 0.000 0.268 107 E C -0.351 176.406 176.600 0.263 0.000 0.990 107 E CA -0.807 55.682 56.400 0.148 0.000 0.856 107 E CB 1.206 30.953 29.700 0.079 0.000 1.159 107 E HN 0.566 nan 8.360 nan 0.000 0.401 108 H N 0.943 120.082 119.070 0.116 0.000 3.167 108 H HA -0.037 4.533 4.556 0.023 0.000 0.306 108 H C 0.917 176.274 175.328 0.048 0.000 0.965 108 H CA 2.190 58.252 56.048 0.022 0.000 1.408 108 H CB 0.143 29.895 29.762 -0.017 0.000 1.406 108 H HN 0.946 nan 8.280 nan 0.000 0.576 109 G N 4.476 113.009 108.800 -0.445 0.000 2.176 109 G HA2 -0.256 3.718 3.960 0.023 0.000 0.253 109 G HA3 -0.256 3.718 3.960 0.023 0.000 0.253 109 G C 0.073 174.923 174.900 -0.084 0.000 0.979 109 G CA 0.246 45.151 45.100 -0.324 0.000 0.641 109 G HN 0.696 nan 8.290 nan 0.000 0.530 110 D N 1.294 121.707 120.400 0.022 0.000 2.449 110 D HA 0.398 5.052 4.640 0.023 0.000 0.236 110 D C 0.906 177.152 176.300 -0.090 0.000 1.149 110 D CA 0.835 54.825 54.000 -0.015 0.000 0.878 110 D CB 0.634 41.424 40.800 -0.017 0.000 1.198 110 D HN 0.128 nan 8.370 nan 0.000 0.446 111 T N 1.223 115.706 114.554 -0.119 0.000 2.832 111 T HA 0.408 4.772 4.350 0.023 0.000 0.296 111 T C 0.042 174.557 174.700 -0.308 0.000 0.968 111 T CA -0.511 61.478 62.100 -0.185 0.000 1.107 111 T CB 0.776 69.586 68.868 -0.096 0.000 0.916 111 T HN -0.002 nan 8.240 nan 0.000 0.517 112 V N 3.968 123.555 119.914 -0.545 0.000 2.789 112 V HA 0.563 4.697 4.120 0.023 0.000 0.311 112 V C -0.774 174.996 176.094 -0.540 0.000 1.073 112 V CA -1.049 60.815 62.300 -0.728 0.000 0.921 112 V CB 2.033 32.937 31.823 -1.531 0.000 1.009 112 V HN 0.667 nan 8.190 nan 0.000 0.426 113 L N 3.458 124.551 121.223 -0.217 0.000 2.298 113 L HA 0.960 5.314 4.340 0.023 0.000 0.284 113 L C 0.169 177.151 176.870 0.188 0.000 1.013 113 L CA 0.436 55.295 54.840 0.032 0.000 0.824 113 L CB 0.981 43.130 42.059 0.150 0.000 1.221 113 L HN 0.811 nan 8.230 nan 0.000 0.418 114 G N 3.966 112.873 108.800 0.179 0.000 2.730 114 G HA2 0.449 4.423 3.960 0.023 0.000 0.289 114 G HA3 0.449 4.423 3.960 0.023 0.000 0.289 114 G C -1.184 173.389 174.900 -0.546 0.000 1.341 114 G CA -0.976 44.174 45.100 0.082 0.000 0.932 114 G HN 0.669 nan 8.290 nan 0.000 0.481 115 M N 1.692 120.885 119.600 -0.679 0.000 2.219 115 M HA 0.144 4.638 4.480 0.023 0.000 0.353 115 M C 0.609 176.609 176.300 -0.499 0.000 1.304 115 M CA -0.618 54.096 55.300 -0.976 0.000 1.115 115 M CB 0.387 32.747 32.600 -0.399 0.000 1.664 115 M HN 0.592 nan 8.290 nan 0.000 0.459 116 N N 4.586 122.965 118.700 -0.535 0.000 2.301 116 N HA -0.092 4.662 4.740 0.023 0.000 0.267 116 N C 0.685 176.018 175.510 -0.296 0.000 1.304 116 N CA 0.361 53.142 53.050 -0.449 0.000 0.851 116 N CB 0.459 38.468 38.487 -0.798 0.000 1.070 116 N HN 0.798 nan 8.380 nan 0.000 0.483 117 L N 2.529 123.608 121.223 -0.241 0.000 2.131 117 L HA -0.176 4.178 4.340 0.023 0.000 0.210 117 L C 2.050 178.838 176.870 -0.138 0.000 1.092 117 L CA 1.351 56.082 54.840 -0.181 0.000 0.759 117 L CB -0.701 41.236 42.059 -0.203 0.000 0.903 117 L HN 0.620 nan 8.230 nan 0.000 0.435 118 S N -2.697 112.921 115.700 -0.138 0.000 2.593 118 S HA -0.045 4.439 4.470 0.023 0.000 0.217 118 S C 1.273 175.928 174.600 0.091 0.000 0.966 118 S CA -0.030 58.139 58.200 -0.051 0.000 0.914 118 S CB -0.461 62.707 63.200 -0.053 0.000 0.776 118 S HN 0.546 nan 8.310 nan 0.000 0.523 119 H N -0.286 118.684 119.070 -0.167 0.000 2.755 119 H HA 0.374 4.944 4.556 0.023 0.000 0.273 119 H C 1.494 176.789 175.328 -0.056 0.000 1.055 119 H CA 0.020 55.988 56.048 -0.133 0.000 1.191 119 H CB 0.844 30.511 29.762 -0.159 0.000 1.536 119 H HN 0.600 nan 8.280 nan 0.000 0.529 120 G N 0.571 109.400 108.800 0.049 0.000 2.613 120 G HA2 -0.171 3.803 3.960 0.023 0.000 0.199 120 G HA3 -0.171 3.803 3.960 0.023 0.000 0.199 120 G C 0.687 175.602 174.900 0.024 0.000 0.991 120 G CA -0.336 44.792 45.100 0.047 0.000 0.756 120 G HN 0.495 nan 8.290 nan 0.000 0.515 121 G N -0.184 108.607 108.800 -0.015 0.000 2.594 121 G HA2 0.449 4.422 3.960 0.023 0.000 0.243 121 G HA3 0.449 4.422 3.960 0.023 0.000 0.243 121 G C -0.219 174.653 174.900 -0.045 0.000 1.229 121 G CA 0.102 45.221 45.100 0.033 0.000 0.843 121 G HN 0.440 nan 8.290 nan 0.000 0.578 122 H N 1.169 120.043 119.070 -0.326 0.000 2.482 122 H HA 0.134 4.704 4.556 0.023 0.000 0.344 122 H C 1.440 176.502 175.328 -0.443 0.000 1.151 122 H CA -0.904 54.840 56.048 -0.505 0.000 1.300 122 H CB 1.691 30.975 29.762 -0.796 0.000 1.494 122 H HN 0.319 nan 8.280 nan 0.000 0.542 123 L N 3.166 123.723 121.223 -1.111 0.000 2.064 123 L HA -0.251 4.103 4.340 0.023 0.000 0.216 123 L C 2.338 178.884 176.870 -0.540 0.000 1.077 123 L CA 2.696 57.083 54.840 -0.755 0.000 0.766 123 L CB -0.765 40.849 42.059 -0.742 0.000 0.890 123 L HN 0.856 nan 8.230 nan 0.000 0.435 124 T N -4.917 109.387 114.554 -0.416 0.000 3.148 124 T HA -0.044 4.320 4.350 0.023 0.000 0.253 124 T C 0.939 175.628 174.700 -0.017 0.000 1.134 124 T CA 0.701 62.731 62.100 -0.116 0.000 1.051 124 T CB -0.944 68.079 68.868 0.258 0.000 0.959 124 T HN 0.638 nan 8.240 nan 0.000 0.525 125 H N 0.411 119.330 119.070 -0.252 0.000 2.524 125 H HA 0.500 5.069 4.556 0.023 0.000 0.299 125 H C 1.427 176.160 175.328 -0.991 0.000 1.074 125 H CA -0.446 55.398 56.048 -0.340 0.000 1.115 125 H CB 0.206 29.933 29.762 -0.058 0.000 1.522 125 H HN 0.515 nan 8.280 nan 0.000 0.543 126 G N 0.867 108.930 108.800 -1.228 0.000 2.173 126 G HA2 -0.269 3.705 3.960 0.023 0.000 0.142 126 G HA3 -0.269 3.705 3.960 0.023 0.000 0.142 126 G C 0.180 174.739 174.900 -0.568 0.000 1.019 126 G CA -0.077 44.192 45.100 -1.384 0.000 0.699 126 G HN 0.361 nan 8.290 nan 0.000 0.495 127 S N 1.334 116.765 115.700 -0.448 0.000 2.552 127 S HA 0.402 4.886 4.470 0.023 0.000 0.289 127 S C -0.087 174.385 174.600 -0.212 0.000 1.304 127 S CA 0.066 58.097 58.200 -0.282 0.000 1.063 127 S CB 1.138 64.183 63.200 -0.259 0.000 0.848 127 S HN 0.170 nan 8.310 nan 0.000 0.499 128 P HA 0.020 nan 4.420 nan 0.000 0.242 128 P C 0.887 178.153 177.300 -0.057 0.000 1.197 128 P CA 0.542 63.593 63.100 -0.083 0.000 0.765 128 P CB -0.289 31.379 31.700 -0.054 0.000 0.936 129 V N -4.513 115.364 119.914 -0.062 0.000 3.483 129 V HA 0.295 4.429 4.120 0.023 0.000 0.301 129 V C 0.658 176.739 176.094 -0.023 0.000 1.389 129 V CA -0.441 61.843 62.300 -0.027 0.000 1.101 129 V CB -0.814 31.005 31.823 -0.007 0.000 0.971 129 V HN 0.010 nan 8.190 nan 0.000 0.434 130 N N 0.618 119.276 118.700 -0.071 0.000 2.430 130 N HA 0.250 5.004 4.740 0.023 0.000 0.298 130 N C 0.988 176.467 175.510 -0.052 0.000 1.130 130 N CA -0.147 52.868 53.050 -0.057 0.000 0.894 130 N CB 2.196 40.570 38.487 -0.189 0.000 1.209 130 N HN 0.202 nan 8.380 nan 0.000 0.503 131 F N 2.114 122.078 119.950 0.024 0.000 2.192 131 F HA -0.185 4.356 4.527 0.023 0.000 0.301 131 F C 2.292 178.141 175.800 0.081 0.000 1.079 131 F CA 1.474 59.505 58.000 0.052 0.000 1.303 131 F CB -1.032 38.022 39.000 0.091 0.000 1.024 131 F HN 0.445 nan 8.300 nan 0.000 0.494 132 S N 0.511 115.638 115.700 -0.955 0.000 2.359 132 S HA -0.075 4.409 4.470 0.023 0.000 0.224 132 S C 2.281 176.780 174.600 -0.169 0.000 1.035 132 S CA 1.047 58.904 58.200 -0.573 0.000 1.018 132 S CB -1.678 61.041 63.200 -0.803 0.000 0.876 132 S HN 0.564 nan 8.310 nan 0.000 0.448 133 G N 0.290 108.923 108.800 -0.280 0.000 2.623 133 G HA2 0.126 4.100 3.960 0.023 0.000 0.214 133 G HA3 0.126 4.100 3.960 0.023 0.000 0.214 133 G C 1.295 176.176 174.900 -0.031 0.000 1.138 133 G CA 0.604 45.638 45.100 -0.110 0.000 0.794 133 G HN 0.473 nan 8.290 nan 0.000 0.535 134 V N 0.015 119.900 119.914 -0.048 0.000 2.599 134 V HA -0.059 4.075 4.120 0.023 0.000 0.245 134 V C 2.539 178.607 176.094 -0.044 0.000 1.046 134 V CA 1.909 64.199 62.300 -0.016 0.000 1.065 134 V CB 0.391 32.228 31.823 0.022 0.000 0.703 134 V HN 0.423 nan 8.190 nan 0.000 0.464 135 Q N -0.804 118.916 119.800 -0.135 0.000 2.250 135 Q HA 0.066 4.419 4.340 0.023 0.000 0.200 135 Q C -0.125 175.466 176.000 -0.682 0.000 0.941 135 Q CA 0.986 56.565 55.803 -0.374 0.000 0.872 135 Q CB 0.231 28.634 28.738 -0.558 0.000 0.965 135 Q HN 0.634 nan 8.270 nan 0.000 0.480 136 Y N -0.751 119.546 120.300 -0.005 0.000 2.570 136 Y HA 0.410 4.973 4.550 0.023 0.000 0.345 136 Y C -0.570 175.301 175.900 -0.048 0.000 1.014 136 Y CA -1.897 56.150 58.100 -0.090 0.000 1.063 136 Y CB 0.869 39.235 38.460 -0.155 0.000 1.272 136 Y HN -0.158 nan 8.280 nan 0.000 0.477 137 N N 1.406 120.111 118.700 0.008 0.000 2.719 137 N HA 0.220 4.974 4.740 0.023 0.000 0.243 137 N C -1.729 173.718 175.510 -0.104 0.000 1.104 137 N CA -0.110 52.917 53.050 -0.038 0.000 0.981 137 N CB -0.343 38.099 38.487 -0.076 0.000 1.290 137 N HN 0.408 nan 8.380 nan 0.000 0.513 138 F N 2.330 122.214 119.950 -0.109 0.000 2.427 138 F HA 0.238 4.779 4.527 0.023 0.000 0.352 138 F C 0.797 176.496 175.800 -0.169 0.000 1.100 138 F CA -0.395 57.524 58.000 -0.135 0.000 1.191 138 F CB 0.780 39.699 39.000 -0.135 0.000 1.128 138 F HN 0.122 nan 8.300 nan 0.000 0.533 139 V N 0.685 120.552 119.914 -0.078 0.000 3.019 139 V HA 0.990 5.124 4.120 0.023 0.000 0.317 139 V C -0.595 175.464 176.094 -0.059 0.000 1.094 139 V CA -1.163 61.035 62.300 -0.169 0.000 1.000 139 V CB 1.426 32.951 31.823 -0.497 0.000 1.060 139 V HN 0.886 nan 8.190 nan 0.000 0.443 140 A N 1.853 124.624 122.820 -0.082 0.000 2.386 140 A HA 0.920 5.254 4.320 0.023 0.000 0.311 140 A C -1.026 176.529 177.584 -0.049 0.000 1.068 140 A CA -0.723 51.236 52.037 -0.130 0.000 0.743 140 A CB 1.473 20.348 19.000 -0.208 0.000 1.258 140 A HN 1.561 nan 8.150 nan 0.000 0.429 141 Y N 0.001 120.291 120.300 -0.016 0.000 2.496 141 Y HA 0.839 5.403 4.550 0.023 0.000 0.331 141 Y C 0.460 176.329 175.900 -0.052 0.000 1.140 141 Y CA -0.849 57.241 58.100 -0.016 0.000 1.166 141 Y CB 1.012 39.471 38.460 -0.001 0.000 1.249 141 Y HN 0.786 nan 8.280 nan 0.000 0.479 142 G N 0.387 109.304 108.800 0.195 0.000 2.644 142 G HA2 0.585 4.559 3.960 0.023 0.000 0.307 142 G HA3 0.585 4.559 3.960 0.023 0.000 0.307 142 G C -0.980 174.125 174.900 0.343 0.000 1.250 142 G CA -0.742 44.504 45.100 0.244 0.000 0.996 142 G HN 1.071 nan 8.290 nan 0.000 0.489 143 V N -1.725 118.456 119.914 0.445 0.000 2.863 143 V HA 0.481 4.615 4.120 0.023 0.000 0.307 143 V C 0.262 176.545 176.094 0.314 0.000 1.061 143 V CA -1.136 61.328 62.300 0.274 0.000 1.024 143 V CB 1.717 33.683 31.823 0.239 0.000 1.049 143 V HN 0.692 nan 8.190 nan 0.000 0.471 144 D N 3.587 124.119 120.400 0.221 0.000 2.455 144 D HA 0.118 4.772 4.640 0.023 0.000 0.241 144 D C -1.544 174.850 176.300 0.157 0.000 1.138 144 D CA -1.125 52.966 54.000 0.151 0.000 0.877 144 D CB 1.977 42.820 40.800 0.071 0.000 1.187 144 D HN 0.494 nan 8.370 nan 0.000 0.451 145 P HA -0.085 nan 4.420 nan 0.000 0.225 145 P C 0.607 177.832 177.300 -0.126 0.000 1.148 145 P CA 1.061 64.034 63.100 -0.211 0.000 0.779 145 P CB 0.499 31.859 31.700 -0.566 0.000 0.780 146 E N -0.852 119.232 120.200 -0.193 0.000 2.228 146 E HA -0.018 4.346 4.350 0.023 0.000 0.197 146 E C 1.955 178.246 176.600 -0.516 0.000 0.909 146 E CA 1.331 57.557 56.400 -0.290 0.000 0.911 146 E CB -0.266 29.340 29.700 -0.156 0.000 0.887 146 E HN 0.269 nan 8.360 nan 0.000 0.481 147 T N -2.429 111.933 114.554 -0.319 0.000 3.043 147 T HA -0.062 4.302 4.350 0.023 0.000 0.263 147 T C 0.414 175.002 174.700 -0.186 0.000 1.094 147 T CA 0.945 62.906 62.100 -0.231 0.000 1.127 147 T CB -0.340 68.494 68.868 -0.057 0.000 0.905 147 T HN 0.334 nan 8.240 nan 0.000 0.490 148 H N -0.862 118.263 119.070 0.093 0.000 3.047 148 H HA -0.106 4.464 4.556 0.023 0.000 0.263 148 H C -0.373 175.089 175.328 0.224 0.000 1.168 148 H CA 0.110 56.234 56.048 0.127 0.000 1.152 148 H CB -2.450 27.362 29.762 0.083 0.000 1.278 148 H HN 0.349 nan 8.280 nan 0.000 0.339 149 V N 1.393 121.473 119.914 0.277 0.000 2.607 149 V HA 0.133 4.267 4.120 0.023 0.000 0.289 149 V C 1.369 177.626 176.094 0.272 0.000 1.053 149 V CA -0.476 62.038 62.300 0.357 0.000 0.996 149 V CB 1.403 33.373 31.823 0.246 0.000 0.995 149 V HN 0.196 nan 8.190 nan 0.000 0.476 150 I N 3.389 124.081 120.570 0.203 0.000 2.906 150 I HA -0.068 4.116 4.170 0.023 0.000 0.301 150 I C 0.692 176.691 176.117 -0.197 0.000 1.221 150 I CA 0.605 61.825 61.300 -0.133 0.000 1.435 150 I CB 0.069 37.777 38.000 -0.486 0.000 1.345 150 I HN 0.642 nan 8.210 nan 0.000 0.558 151 D N 6.945 127.277 120.400 -0.114 0.000 2.393 151 D HA 0.041 4.694 4.640 0.023 0.000 0.232 151 D C 0.556 176.732 176.300 -0.207 0.000 1.192 151 D CA -0.055 53.912 54.000 -0.055 0.000 0.882 151 D CB 0.450 41.281 40.800 0.051 0.000 1.038 151 D HN 0.332 nan 8.370 nan 0.000 0.499 152 Y N 1.574 121.802 120.300 -0.120 0.000 2.421 152 Y HA -0.104 4.460 4.550 0.023 0.000 0.292 152 Y C 1.973 177.762 175.900 -0.186 0.000 1.136 152 Y CA 0.623 58.574 58.100 -0.248 0.000 1.255 152 Y CB 0.211 38.512 38.460 -0.265 0.000 0.991 152 Y HN 0.393 nan 8.280 nan 0.000 0.552 153 D N -0.202 120.210 120.400 0.020 0.000 2.183 153 D HA -0.164 4.490 4.640 0.023 0.000 0.203 153 D C 1.540 177.832 176.300 -0.013 0.000 0.969 153 D CA 1.393 55.393 54.000 -0.000 0.000 0.842 153 D CB -0.194 40.615 40.800 0.015 0.000 0.957 153 D HN 0.406 nan 8.370 nan 0.000 0.484 154 D N 0.426 120.819 120.400 -0.011 0.000 2.123 154 D HA -0.114 4.540 4.640 0.023 0.000 0.200 154 D C 2.158 178.457 176.300 -0.001 0.000 0.976 154 D CA 0.537 54.551 54.000 0.024 0.000 0.831 154 D CB 0.147 40.993 40.800 0.078 0.000 0.974 154 D HN -0.111 nan 8.370 nan 0.000 0.469 155 V N 0.659 120.488 119.914 -0.142 0.000 2.252 155 V HA -0.282 3.852 4.120 0.023 0.000 0.249 155 V C 2.639 178.656 176.094 -0.127 0.000 1.056 155 V CA 2.230 64.364 62.300 -0.277 0.000 1.022 155 V CB -0.661 30.727 31.823 -0.724 0.000 0.641 155 V HN 0.236 nan 8.190 nan 0.000 0.445 156 R N -0.119 120.314 120.500 -0.112 0.000 2.081 156 R HA -0.225 4.129 4.340 0.023 0.000 0.235 156 R C 2.437 178.727 176.300 -0.018 0.000 1.131 156 R CA 2.119 58.185 56.100 -0.057 0.000 0.960 156 R CB -0.287 29.984 30.300 -0.050 0.000 0.856 156 R HN 0.705 nan 8.270 nan 0.000 0.436 157 E N 0.161 120.357 120.200 -0.006 0.000 2.047 157 E HA -0.187 4.177 4.350 0.023 0.000 0.191 157 E C 1.593 178.205 176.600 0.019 0.000 0.987 157 E CA 1.043 57.445 56.400 0.003 0.000 0.799 157 E CB 0.189 29.895 29.700 0.010 0.000 0.752 157 E HN 0.155 nan 8.360 nan 0.000 0.449 158 K N 0.340 120.786 120.400 0.076 0.000 2.057 158 K HA -0.132 4.202 4.320 0.023 0.000 0.207 158 K C 2.104 178.807 176.600 0.173 0.000 1.049 158 K CA 1.104 57.503 56.287 0.187 0.000 0.931 158 K CB -0.456 32.194 32.500 0.250 0.000 0.714 158 K HN 0.199 nan 8.250 nan 0.000 0.440 159 A N 1.667 124.548 122.820 0.101 0.000 1.902 159 A HA -0.178 4.156 4.320 0.023 0.000 0.217 159 A C 2.235 179.843 177.584 0.040 0.000 1.181 159 A CA 1.467 53.550 52.037 0.076 0.000 0.623 159 A CB -0.389 18.638 19.000 0.045 0.000 0.818 159 A HN 0.269 nan 8.150 nan 0.000 0.443 160 R N -1.341 119.164 120.500 0.008 0.000 2.115 160 R HA -0.004 4.350 4.340 0.023 0.000 0.226 160 R C 2.085 178.355 176.300 -0.050 0.000 1.100 160 R CA 1.171 57.261 56.100 -0.017 0.000 0.980 160 R CB -0.393 29.895 30.300 -0.021 0.000 0.875 160 R HN 0.500 nan 8.270 nan 0.000 0.445 161 L N 0.022 121.184 121.223 -0.101 0.000 2.023 161 L HA -0.100 4.254 4.340 0.023 0.000 0.205 161 L C 1.788 178.502 176.870 -0.260 0.000 1.073 161 L CA 1.891 56.590 54.840 -0.235 0.000 0.745 161 L CB -0.309 41.503 42.059 -0.410 0.000 0.900 161 L HN 0.177 nan 8.230 nan 0.000 0.435 162 H N 0.035 119.105 119.070 0.000 0.000 2.562 162 H HA 0.239 4.809 4.556 0.023 0.000 0.267 162 H C 0.041 175.360 175.328 -0.016 0.000 0.959 162 H CA 0.143 56.186 56.048 -0.008 0.000 1.204 162 H CB 0.254 30.012 29.762 -0.007 0.000 1.430 162 H HN 0.166 nan 8.280 nan 0.000 0.545 163 R N 0.484 121.029 120.500 0.076 0.000 3.205 163 R HA -0.101 4.253 4.340 0.023 0.000 0.249 163 R C -2.600 173.718 176.300 0.029 0.000 0.937 163 R CA 0.010 56.132 56.100 0.037 0.000 0.641 163 R CB -2.394 27.915 30.300 0.015 0.000 1.114 163 R HN 0.440 nan 8.270 nan 0.000 0.451 164 P HA 0.071 nan 4.420 nan 0.000 0.272 164 P C 0.626 177.916 177.300 -0.015 0.000 1.223 164 P CA -0.256 62.834 63.100 -0.017 0.000 0.784 164 P CB 0.873 32.559 31.700 -0.022 0.000 0.923 165 K N 0.511 120.889 120.400 -0.037 0.000 2.228 165 K HA 0.011 4.345 4.320 0.023 0.000 0.202 165 K C 0.334 176.978 176.600 0.073 0.000 1.051 165 K CA 0.545 56.840 56.287 0.012 0.000 0.960 165 K CB 0.011 32.515 32.500 0.007 0.000 0.743 165 K HN 0.312 nan 8.250 nan 0.000 0.458 166 L N 0.847 122.072 121.223 0.003 0.000 2.455 166 L HA 0.458 4.812 4.340 0.023 0.000 0.264 166 L C -1.571 175.316 176.870 0.027 0.000 0.968 166 L CA -0.601 54.271 54.840 0.053 0.000 0.827 166 L CB 1.928 43.967 42.059 -0.033 0.000 1.317 166 L HN -0.089 nan 8.230 nan 0.000 0.407 167 I N 4.865 125.509 120.570 0.124 0.000 2.404 167 I HA 0.513 4.697 4.170 0.023 0.000 0.293 167 I C -0.793 175.419 176.117 0.159 0.000 0.992 167 I CA -1.007 60.391 61.300 0.164 0.000 1.149 167 I CB 1.992 40.136 38.000 0.239 0.000 1.315 167 I HN 0.250 nan 8.210 nan 0.000 0.446 168 V N 5.408 125.412 119.914 0.150 0.000 2.398 168 V HA 0.706 4.840 4.120 0.023 0.000 0.286 168 V C 0.259 176.335 176.094 -0.031 0.000 1.026 168 V CA -0.432 61.893 62.300 0.040 0.000 0.868 168 V CB 1.403 33.222 31.823 -0.007 0.000 0.982 168 V HN 0.844 nan 8.190 nan 0.000 0.443 169 A N 4.060 126.738 122.820 -0.237 0.000 2.356 169 A HA 1.057 5.391 4.320 0.023 0.000 0.323 169 A C 0.017 177.507 177.584 -0.155 0.000 1.119 169 A CA 0.033 51.786 52.037 -0.474 0.000 0.790 169 A CB 1.559 19.891 19.000 -1.114 0.000 1.273 169 A HN 2.480 nan 8.150 nan 0.000 0.452 170 A N -0.771 122.033 122.820 -0.025 0.000 2.435 170 A HA 0.567 4.901 4.320 0.023 0.000 0.686 170 A C -0.348 177.355 177.584 0.198 0.000 0.140 170 A CA -0.056 52.058 52.037 0.128 0.000 0.030 170 A CB -1.425 17.652 19.000 0.129 0.000 3.972 170 A HN 2.948 nan 8.150 nan 0.000 0.548 171 A N -0.975 121.986 122.820 0.234 0.000 2.594 171 A HA 1.022 5.356 4.320 0.023 0.000 0.295 171 A C 0.580 178.227 177.584 0.104 0.000 1.071 171 A CA 0.447 52.602 52.037 0.196 0.000 0.685 171 A CB 0.665 19.767 19.000 0.171 0.000 1.285 171 A HN 2.626 nan 8.150 nan 0.000 0.405 172 A N 0.174 123.015 122.820 0.035 0.000 2.081 172 A HA 0.541 4.875 4.320 0.023 0.000 0.214 172 A C 1.116 178.487 177.584 -0.355 0.000 1.158 172 A CA 1.566 53.536 52.037 -0.112 0.000 0.724 172 A CB -0.017 19.048 19.000 0.107 0.000 0.826 172 A HN 2.313 nan 8.150 nan 0.000 0.463 173 A N -1.320 121.414 122.820 -0.143 0.000 3.448 173 A HA 0.493 4.827 4.320 0.023 0.000 0.232 173 A C -0.933 176.674 177.584 0.039 0.000 1.018 173 A CA -0.238 51.731 52.037 -0.113 0.000 0.996 173 A CB -0.138 18.816 19.000 -0.078 0.000 1.283 173 A HN 0.371 nan 8.150 nan 0.000 0.586 174 Y N 1.972 122.219 120.300 -0.088 0.000 2.326 174 Y HA 0.565 5.128 4.550 0.023 0.000 0.331 174 Y C -2.275 173.623 175.900 -0.004 0.000 0.962 174 Y CA -2.294 55.801 58.100 -0.008 0.000 1.167 174 Y CB 2.316 40.811 38.460 0.058 0.000 1.148 174 Y HN 0.270 nan 8.280 nan 0.000 0.463 175 P HA 0.107 nan 4.420 nan 0.000 0.249 175 P C -0.277 176.810 177.300 -0.356 0.000 1.229 175 P CA 0.581 63.500 63.100 -0.303 0.000 0.788 175 P CB 0.505 32.079 31.700 -0.211 0.000 1.072 176 R N -0.139 119.934 120.500 -0.711 0.000 2.892 176 R HA 0.487 4.841 4.340 0.023 0.000 0.265 176 R C 0.428 176.674 176.300 -0.089 0.000 1.025 176 R CA -1.485 54.370 56.100 -0.409 0.000 0.982 176 R CB 0.783 30.843 30.300 -0.399 0.000 1.185 176 R HN 0.001 nan 8.270 nan 0.000 0.484 177 I N 2.136 122.720 120.570 0.023 0.000 2.710 177 I HA -0.015 4.169 4.170 0.023 0.000 0.286 177 I C 0.550 176.774 176.117 0.177 0.000 1.181 177 I CA 0.517 61.838 61.300 0.035 0.000 1.430 177 I CB 0.257 38.123 38.000 -0.223 0.000 1.367 177 I HN 0.240 nan 8.210 nan 0.000 0.577 178 I N 5.630 126.312 120.570 0.187 0.000 2.365 178 I HA 0.094 4.278 4.170 0.023 0.000 0.291 178 I C 0.256 176.156 176.117 -0.362 0.000 1.004 178 I CA -0.284 61.046 61.300 0.050 0.000 1.311 178 I CB 0.925 38.893 38.000 -0.053 0.000 1.401 178 I HN 0.488 nan 8.210 nan 0.000 0.491 179 D N 6.444 126.819 120.400 -0.041 0.000 2.453 179 D HA 0.128 4.782 4.640 0.023 0.000 0.223 179 D C 0.751 177.012 176.300 -0.066 0.000 1.183 179 D CA 0.025 53.895 54.000 -0.218 0.000 0.933 179 D CB 0.316 40.859 40.800 -0.427 0.000 1.038 179 D HN 0.353 nan 8.370 nan 0.000 0.513 180 F N 1.775 121.734 119.950 0.015 0.000 2.293 180 F HA -0.097 4.444 4.527 0.023 0.000 0.300 180 F C 2.492 178.093 175.800 -0.331 0.000 1.086 180 F CA 0.508 58.484 58.000 -0.040 0.000 1.375 180 F CB -0.007 38.968 39.000 -0.042 0.000 1.045 180 F HN 0.432 nan 8.300 nan 0.000 0.516 181 A N 0.637 123.105 122.820 -0.587 0.000 1.877 181 A HA -0.205 4.129 4.320 0.023 0.000 0.216 181 A C 2.201 179.686 177.584 -0.164 0.000 1.186 181 A CA 1.613 53.312 52.037 -0.564 0.000 0.620 181 A CB -0.554 18.164 19.000 -0.470 0.000 0.822 181 A HN 0.288 nan 8.150 nan 0.000 0.443 182 K N -1.503 118.784 120.400 -0.188 0.000 2.057 182 K HA -0.096 4.238 4.320 0.023 0.000 0.207 182 K C 1.691 178.246 176.600 -0.076 0.000 1.049 182 K CA 1.502 57.672 56.287 -0.195 0.000 0.931 182 K CB -0.361 31.853 32.500 -0.478 0.000 0.714 182 K HN 0.465 nan 8.250 nan 0.000 0.440 183 F N 1.186 121.166 119.950 0.049 0.000 2.126 183 F HA -0.215 4.326 4.527 0.024 0.000 0.299 183 F C 2.636 178.483 175.800 0.079 0.000 1.096 183 F CA 1.366 59.420 58.000 0.091 0.000 1.255 183 F CB -0.201 38.894 39.000 0.158 0.000 0.997 183 F HN -0.053 nan 8.300 nan 0.000 0.479 184 R N 0.867 121.523 120.500 0.261 0.000 2.092 184 R HA -0.153 4.201 4.340 0.023 0.000 0.231 184 R C 2.038 178.416 176.300 0.130 0.000 1.119 184 R CA 1.743 57.964 56.100 0.200 0.000 0.970 184 R CB -0.774 29.663 30.300 0.228 0.000 0.864 184 R HN 0.407 nan 8.270 nan 0.000 0.440 185 E N -0.159 120.089 120.200 0.080 0.000 2.070 185 E HA -0.206 4.158 4.350 0.023 0.000 0.197 185 E C 1.869 178.486 176.600 0.029 0.000 1.004 185 E CA 1.899 58.323 56.400 0.039 0.000 0.805 185 E CB -0.167 29.530 29.700 -0.005 0.000 0.744 185 E HN 0.428 nan 8.360 nan 0.000 0.451 186 I N 0.710 121.289 120.570 0.015 0.000 2.202 186 I HA -0.249 3.935 4.170 0.023 0.000 0.242 186 I C 2.600 178.745 176.117 0.046 0.000 1.091 186 I CA 0.943 62.245 61.300 0.004 0.000 1.368 186 I CB -0.369 37.598 38.000 -0.054 0.000 1.058 186 I HN 0.178 nan 8.210 nan 0.000 0.410 187 A N 0.649 123.528 122.820 0.099 0.000 1.883 187 A HA -0.274 4.060 4.320 0.023 0.000 0.217 187 A C 1.956 179.589 177.584 0.082 0.000 1.186 187 A CA 2.291 54.400 52.037 0.119 0.000 0.624 187 A CB -0.687 18.431 19.000 0.197 0.000 0.822 187 A HN 0.351 nan 8.150 nan 0.000 0.444 188 D N -0.818 119.632 120.400 0.084 0.000 2.144 188 D HA -0.155 4.499 4.640 0.023 0.000 0.199 188 D C 1.886 178.202 176.300 0.028 0.000 0.984 188 D CA 1.461 55.496 54.000 0.058 0.000 0.834 188 D CB -0.352 40.484 40.800 0.060 0.000 0.955 188 D HN 0.748 nan 8.370 nan 0.000 0.465 189 E N 0.299 120.513 120.200 0.024 0.000 2.110 189 E HA -0.144 4.220 4.350 0.023 0.000 0.193 189 E C 1.712 178.315 176.600 0.004 0.000 0.988 189 E CA 1.204 57.609 56.400 0.009 0.000 0.804 189 E CB 0.279 29.981 29.700 0.003 0.000 0.745 189 E HN 0.237 nan 8.360 nan 0.000 0.458 190 V N -3.296 116.623 119.914 0.008 0.000 3.621 190 V HA 0.428 4.562 4.120 0.023 0.000 0.285 190 V C 1.018 177.105 176.094 -0.011 0.000 1.346 190 V CA 0.340 62.642 62.300 0.002 0.000 1.104 190 V CB 0.017 31.847 31.823 0.012 0.000 0.913 190 V HN 0.269 nan 8.190 nan 0.000 0.432 191 G N 0.447 109.235 108.800 -0.020 0.000 2.246 191 G HA2 0.002 3.975 3.960 0.023 0.000 0.273 191 G HA3 0.002 3.975 3.960 0.023 0.000 0.273 191 G C 0.187 175.023 174.900 -0.107 0.000 1.055 191 G CA 0.413 45.475 45.100 -0.062 0.000 0.851 191 G HN 1.673 nan 8.290 nan 0.000 0.500 192 A N -0.561 122.221 122.820 -0.063 0.000 2.325 192 A HA 0.828 5.162 4.320 0.023 0.000 0.333 192 A C 0.040 177.581 177.584 -0.071 0.000 1.155 192 A CA -0.828 51.180 52.037 -0.049 0.000 0.814 192 A CB 0.888 19.914 19.000 0.043 0.000 1.206 192 A HN 0.545 nan 8.150 nan 0.000 0.482 193 Y N 0.183 120.455 120.300 -0.046 0.000 2.457 193 Y HA 0.333 4.897 4.550 0.024 0.000 0.341 193 Y C 0.329 176.338 175.900 0.181 0.000 1.240 193 Y CA 0.422 58.464 58.100 -0.098 0.000 1.437 193 Y CB 0.594 39.010 38.460 -0.073 0.000 1.328 193 Y HN 0.556 nan 8.280 nan 0.000 0.588 194 L N 4.794 126.379 121.223 0.603 0.000 2.313 194 L HA 0.507 4.861 4.340 0.023 0.000 0.283 194 L C -0.806 176.251 176.870 0.311 0.000 1.013 194 L CA -0.811 54.251 54.840 0.370 0.000 0.816 194 L CB 1.141 43.367 42.059 0.277 0.000 1.236 194 L HN 0.730 nan 8.230 nan 0.000 0.419 195 M N 5.713 125.449 119.600 0.226 0.000 2.294 195 M HA 0.607 5.101 4.480 0.023 0.000 0.335 195 M C -1.708 174.602 176.300 0.015 0.000 1.079 195 M CA -0.621 54.778 55.300 0.166 0.000 0.982 195 M CB 1.578 34.274 32.600 0.160 0.000 1.651 195 M HN 0.411 nan 8.290 nan 0.000 0.437 196 V N 4.237 124.115 119.914 -0.060 0.000 2.384 196 V HA 0.274 4.408 4.120 0.023 0.000 0.287 196 V C -0.621 175.403 176.094 -0.116 0.000 1.020 196 V CA -0.591 61.619 62.300 -0.150 0.000 0.850 196 V CB 1.554 33.148 31.823 -0.381 0.000 0.987 196 V HN 0.769 nan 8.190 nan 0.000 0.436 197 D N 5.719 126.079 120.400 -0.067 0.000 2.456 197 D HA 0.242 4.896 4.640 0.023 0.000 0.219 197 D C 0.783 177.089 176.300 0.009 0.000 1.126 197 D CA -0.454 53.541 54.000 -0.009 0.000 0.890 197 D CB 1.140 42.010 40.800 0.117 0.000 1.025 197 D HN 0.610 nan 8.370 nan 0.000 0.511 198 M N 1.659 121.220 119.600 -0.066 0.000 2.530 198 M HA 0.355 4.849 4.480 0.023 0.000 0.231 198 M C 1.394 177.660 176.300 -0.056 0.000 1.180 198 M CA -0.354 54.912 55.300 -0.058 0.000 0.985 198 M CB 0.647 33.159 32.600 -0.145 0.000 1.623 198 M HN 0.130 nan 8.290 nan 0.000 0.475 199 A N 1.273 124.062 122.820 -0.052 0.000 1.896 199 A HA -0.243 4.091 4.320 0.023 0.000 0.220 199 A C 2.099 179.601 177.584 -0.135 0.000 1.206 199 A CA 2.158 54.121 52.037 -0.122 0.000 0.647 199 A CB -1.395 17.513 19.000 -0.153 0.000 0.828 199 A HN 0.753 nan 8.150 nan 0.000 0.455 200 H N -0.516 118.510 119.070 -0.073 0.000 2.389 200 H HA -0.044 4.528 4.556 0.026 0.000 0.299 200 H C 1.890 177.074 175.328 -0.240 0.000 1.081 200 H CA 1.793 57.803 56.048 -0.063 0.000 1.345 200 H CB -0.028 29.826 29.762 0.155 0.000 1.393 200 H HN 0.735 nan 8.280 nan 0.000 0.520 201 I N -2.718 117.832 120.570 -0.033 0.000 4.018 201 I HA 0.345 4.529 4.170 0.023 0.000 0.337 201 I C 2.230 178.330 176.117 -0.028 0.000 1.327 201 I CA 0.202 61.445 61.300 -0.095 0.000 1.100 201 I CB 0.179 38.093 38.000 -0.144 0.000 1.025 201 I HN -0.095 nan 8.210 nan 0.000 0.396 202 A N 2.251 125.061 122.820 -0.016 0.000 1.917 202 A HA -0.097 4.237 4.320 0.023 0.000 0.219 202 A C 2.343 180.096 177.584 0.281 0.000 1.182 202 A CA 2.134 54.219 52.037 0.081 0.000 0.633 202 A CB -1.437 17.559 19.000 -0.007 0.000 0.819 202 A HN 0.546 nan 8.150 nan 0.000 0.448 203 G N -0.385 108.554 108.800 0.231 0.000 2.408 203 G HA2 -0.090 3.884 3.960 0.023 0.000 0.217 203 G HA3 -0.090 3.884 3.960 0.023 0.000 0.217 203 G C 1.525 176.621 174.900 0.328 0.000 1.150 203 G CA 0.959 46.300 45.100 0.402 0.000 0.776 203 G HN 0.457 nan 8.290 nan 0.000 0.542 204 L N 0.276 121.600 121.223 0.168 0.000 2.056 204 L HA -0.050 4.304 4.340 0.023 0.000 0.207 204 L C 2.938 179.939 176.870 0.217 0.000 1.078 204 L CA 0.333 55.260 54.840 0.144 0.000 0.749 204 L CB -0.720 41.409 42.059 0.116 0.000 0.901 204 L HN 0.051 nan 8.230 nan 0.000 0.433 205 V N 0.641 120.711 119.914 0.261 0.000 2.287 205 V HA -0.325 3.809 4.120 0.023 0.000 0.248 205 V C 2.865 179.119 176.094 0.266 0.000 1.053 205 V CA 1.969 64.463 62.300 0.322 0.000 1.027 205 V CB -0.964 31.081 31.823 0.369 0.000 0.646 205 V HN 0.495 nan 8.190 nan 0.000 0.447 206 A N -0.232 122.733 122.820 0.241 0.000 1.978 206 A HA -0.100 4.234 4.320 0.023 0.000 0.220 206 A C 2.172 179.793 177.584 0.061 0.000 1.170 206 A CA 2.075 54.069 52.037 -0.072 0.000 0.636 206 A CB -0.558 18.324 19.000 -0.198 0.000 0.810 206 A HN 0.648 nan 8.150 nan 0.000 0.448 207 A N -2.017 120.913 122.820 0.182 0.000 2.275 207 A HA 0.441 4.775 4.320 0.023 0.000 0.212 207 A C 1.656 179.302 177.584 0.102 0.000 1.201 207 A CA 1.058 53.189 52.037 0.157 0.000 0.843 207 A CB -0.838 18.244 19.000 0.136 0.000 0.873 207 A HN 1.899 nan 8.150 nan 0.000 0.492 208 G N -0.850 108.019 108.800 0.114 0.000 2.160 208 G HA2 -0.234 3.740 3.960 0.023 0.000 0.244 208 G HA3 -0.234 3.740 3.960 0.023 0.000 0.244 208 G C 0.509 175.472 174.900 0.106 0.000 1.022 208 G CA 0.535 45.698 45.100 0.106 0.000 0.741 208 G HN 0.527 nan 8.290 nan 0.000 0.508 209 L N -0.518 120.781 121.223 0.128 0.000 2.693 209 L HA 0.372 4.726 4.340 0.023 0.000 0.235 209 L C 0.901 177.874 176.870 0.172 0.000 1.127 209 L CA -0.185 54.723 54.840 0.112 0.000 0.914 209 L CB 0.296 42.401 42.059 0.076 0.000 1.193 209 L HN 0.419 nan 8.230 nan 0.000 0.502 210 H N 0.500 119.643 119.070 0.121 0.000 2.806 210 H HA 0.368 4.939 4.556 0.024 0.000 0.367 210 H C -2.716 172.730 175.328 0.197 0.000 1.136 210 H CA -1.886 54.251 56.048 0.149 0.000 1.178 210 H CB 2.734 32.603 29.762 0.179 0.000 1.718 210 H HN -0.253 nan 8.280 nan 0.000 0.540 211 P HA -0.052 nan 4.420 nan 0.000 0.265 211 P C -0.185 177.477 177.300 0.604 0.000 1.187 211 P CA 0.128 63.410 63.100 0.303 0.000 0.766 211 P CB 0.490 32.288 31.700 0.162 0.000 0.820 212 N N 3.999 122.967 118.700 0.445 0.000 2.430 212 N HA 0.092 4.846 4.740 0.023 0.000 0.265 212 N C -1.506 174.189 175.510 0.309 0.000 1.100 212 N CA -2.193 51.068 53.050 0.352 0.000 0.961 212 N CB 0.434 39.065 38.487 0.239 0.000 1.075 212 N HN 0.221 nan 8.380 nan 0.000 0.478 213 P HA -0.056 nan 4.420 nan 0.000 0.229 213 P C 1.343 178.555 177.300 -0.146 0.000 1.160 213 P CA 0.344 63.169 63.100 -0.458 0.000 0.777 213 P CB 0.511 31.485 31.700 -1.210 0.000 0.814 214 V N 2.001 121.861 119.914 -0.090 0.000 2.282 214 V HA -0.178 3.956 4.120 0.023 0.000 0.249 214 V C -0.234 175.795 176.094 -0.109 0.000 1.057 214 V CA 2.686 64.937 62.300 -0.082 0.000 1.032 214 V CB -2.540 29.270 31.823 -0.022 0.000 0.645 214 V HN 0.211 nan 8.190 nan 0.000 0.447 215 P HA -0.101 nan 4.420 nan 0.000 0.225 215 P C 0.895 177.942 177.300 -0.421 0.000 1.148 215 P CA 1.431 64.328 63.100 -0.339 0.000 0.779 215 P CB -0.065 31.320 31.700 -0.525 0.000 0.780 216 Y N -1.227 119.040 120.300 -0.055 0.000 2.535 216 Y HA 0.431 4.994 4.550 0.023 0.000 0.266 216 Y C 1.356 177.174 175.900 -0.137 0.000 1.088 216 Y CA -0.320 57.752 58.100 -0.047 0.000 1.285 216 Y CB -0.354 38.149 38.460 0.071 0.000 1.166 216 Y HN -0.205 nan 8.280 nan 0.000 0.525 217 A N -0.560 122.231 122.820 -0.049 0.000 2.306 217 A HA 0.381 4.715 4.320 0.023 0.000 0.314 217 A C -0.047 177.381 177.584 -0.260 0.000 1.164 217 A CA -0.415 51.546 52.037 -0.127 0.000 0.822 217 A CB 0.300 19.230 19.000 -0.117 0.000 1.130 217 A HN 0.461 nan 8.150 nan 0.000 0.496 218 H N 0.862 119.811 119.070 -0.201 0.000 2.389 218 H HA 0.104 4.673 4.556 0.023 0.000 0.299 218 H C -0.655 174.086 175.328 -0.979 0.000 1.081 218 H CA 2.080 57.764 56.048 -0.607 0.000 1.345 218 H CB -0.043 29.185 29.762 -0.890 0.000 1.393 218 H HN 0.578 nan 8.280 nan 0.000 0.520 219 F N -0.483 119.458 119.950 -0.016 0.000 2.556 219 F HA 0.478 5.019 4.527 0.023 0.000 0.314 219 F C -0.875 174.866 175.800 -0.098 0.000 1.106 219 F CA -1.235 56.719 58.000 -0.077 0.000 0.911 219 F CB 1.906 40.825 39.000 -0.134 0.000 1.190 219 F HN -0.341 nan 8.300 nan 0.000 0.448 220 V N 1.760 121.701 119.914 0.046 0.000 2.444 220 V HA 0.588 4.722 4.120 0.023 0.000 0.294 220 V C -0.179 175.866 176.094 -0.082 0.000 1.022 220 V CA -0.697 61.555 62.300 -0.080 0.000 0.850 220 V CB 1.862 33.572 31.823 -0.188 0.000 0.992 220 V HN 0.900 nan 8.190 nan 0.000 0.426 221 T N 0.834 115.333 114.554 -0.092 0.000 2.945 221 T HA 0.837 5.201 4.350 0.023 0.000 0.286 221 T C -0.301 174.321 174.700 -0.130 0.000 1.025 221 T CA -0.669 61.373 62.100 -0.096 0.000 1.039 221 T CB 2.134 70.957 68.868 -0.076 0.000 1.068 221 T HN 0.736 nan 8.240 nan 0.000 0.497 222 T N 0.482 114.961 114.554 -0.124 0.000 2.827 222 T HA 0.570 4.934 4.350 0.023 0.000 0.328 222 T C -0.708 173.923 174.700 -0.115 0.000 1.598 222 T CA -0.395 61.619 62.100 -0.143 0.000 1.043 222 T CB 1.351 70.089 68.868 -0.217 0.000 1.447 222 T HN 1.203 nan 8.240 nan 0.000 0.491 223 T N -0.053 114.396 114.554 -0.174 0.000 2.902 223 T HA 0.488 4.852 4.350 0.023 0.000 0.280 223 T C 1.369 175.967 174.700 -0.169 0.000 0.992 223 T CA 0.138 62.106 62.100 -0.220 0.000 1.015 223 T CB 1.094 69.607 68.868 -0.591 0.000 1.044 223 T HN 0.754 nan 8.240 nan 0.000 0.520 224 T N -2.152 112.378 114.554 -0.040 0.000 3.086 224 T HA 0.048 4.412 4.350 0.023 0.000 0.250 224 T C 1.231 175.970 174.700 0.065 0.000 1.074 224 T CA 0.123 62.276 62.100 0.089 0.000 0.988 224 T CB -0.457 68.511 68.868 0.167 0.000 0.988 224 T HN 0.919 nan 8.240 nan 0.000 0.530 225 H N -0.202 118.865 119.070 -0.006 0.000 2.652 225 H HA 0.473 5.044 4.556 0.025 0.000 0.274 225 H C 0.830 176.128 175.328 -0.049 0.000 1.021 225 H CA -0.500 55.532 56.048 -0.027 0.000 1.187 225 H CB 0.351 30.086 29.762 -0.045 0.000 1.505 225 H HN 0.268 nan 8.280 nan 0.000 0.530 226 K N 1.149 121.426 120.400 -0.206 0.000 3.730 226 K HA 0.061 4.395 4.320 0.023 0.000 0.166 226 K C 1.935 178.498 176.600 -0.061 0.000 1.148 226 K CA 0.744 56.917 56.287 -0.191 0.000 1.638 226 K CB -0.200 32.064 32.500 -0.393 0.000 2.264 226 K HN 0.139 nan 8.250 nan 0.000 0.518 227 T N 0.317 114.813 114.554 -0.096 0.000 3.007 227 T HA -0.079 4.285 4.350 0.023 0.000 0.270 227 T C 1.731 176.587 174.700 0.260 0.000 1.107 227 T CA 0.694 62.812 62.100 0.029 0.000 1.118 227 T CB -0.068 68.721 68.868 -0.132 0.000 0.889 227 T HN 0.071 nan 8.240 nan 0.000 0.506 228 L N 1.157 122.495 121.223 0.191 0.000 2.465 228 L HA 0.350 4.704 4.340 0.023 0.000 0.224 228 L C 1.571 178.580 176.870 0.231 0.000 1.145 228 L CA 0.808 55.800 54.840 0.253 0.000 0.834 228 L CB -1.231 40.943 42.059 0.192 0.000 0.944 228 L HN 0.422 nan 8.230 nan 0.000 0.451 229 R N -0.967 119.655 120.500 0.204 0.000 3.422 229 R HA -0.163 4.191 4.340 0.023 0.000 0.267 229 R C 0.407 176.761 176.300 0.090 0.000 1.074 229 R CA 0.467 56.662 56.100 0.159 0.000 0.718 229 R CB -1.626 28.811 30.300 0.228 0.000 1.157 229 R HN 0.547 nan 8.270 nan 0.000 0.440 230 G N 0.019 108.868 108.800 0.080 0.000 2.938 230 G HA2 0.699 4.673 3.960 0.023 0.000 0.258 230 G HA3 0.699 4.673 3.960 0.023 0.000 0.258 230 G C -2.643 172.278 174.900 0.035 0.000 1.356 230 G CA -0.988 44.128 45.100 0.027 0.000 1.052 230 G HN 0.118 nan 8.290 nan 0.000 0.550 231 P HA 0.171 nan 4.420 nan 0.000 0.273 231 P C -0.554 176.762 177.300 0.027 0.000 1.250 231 P CA -0.493 62.594 63.100 -0.021 0.000 0.793 231 P CB 1.009 32.662 31.700 -0.078 0.000 1.011 232 R N 0.248 120.708 120.500 -0.067 0.000 2.351 232 R HA 0.486 4.840 4.340 0.023 0.000 0.318 232 R C 0.355 176.632 176.300 -0.038 0.000 1.055 232 R CA 0.693 56.667 56.100 -0.209 0.000 0.968 232 R CB -0.643 29.426 30.300 -0.385 0.000 0.974 232 R HN 0.846 nan 8.270 nan 0.000 0.439 233 G N 1.362 110.271 108.800 0.182 0.000 2.320 233 G HA2 0.407 4.381 3.960 0.023 0.000 0.296 233 G HA3 0.407 4.381 3.960 0.023 0.000 0.296 233 G C -1.294 173.705 174.900 0.164 0.000 1.306 233 G CA -0.419 44.757 45.100 0.126 0.000 0.836 233 G HN 0.784 nan 8.290 nan 0.000 0.517 234 G N -1.406 107.449 108.800 0.091 0.000 2.788 234 G HA2 0.839 4.813 3.960 0.023 0.000 0.293 234 G HA3 0.839 4.813 3.960 0.023 0.000 0.293 234 G C -0.831 174.100 174.900 0.051 0.000 1.305 234 G CA -0.386 44.746 45.100 0.054 0.000 1.005 234 G HN 1.210 nan 8.290 nan 0.000 0.496 235 M N -0.286 119.326 119.600 0.020 0.000 2.490 235 M HA 0.601 5.094 4.480 0.023 0.000 0.286 235 M C -2.145 174.137 176.300 -0.030 0.000 1.185 235 M CA -0.624 54.688 55.300 0.020 0.000 0.912 235 M CB 2.176 34.808 32.600 0.053 0.000 1.744 235 M HN 0.406 nan 8.290 nan 0.000 0.494 236 I N 4.443 125.004 120.570 -0.015 0.000 2.465 236 I HA 0.506 4.690 4.170 0.023 0.000 0.291 236 I C -1.300 174.811 176.117 -0.010 0.000 1.014 236 I CA -0.723 60.572 61.300 -0.009 0.000 1.093 236 I CB 2.022 40.045 38.000 0.038 0.000 1.267 236 I HN 0.591 nan 8.210 nan 0.000 0.431 237 L N 6.025 127.234 121.223 -0.024 0.000 2.342 237 L HA 0.834 5.187 4.340 0.023 0.000 0.271 237 L C -0.511 176.408 176.870 0.082 0.000 1.008 237 L CA -0.615 54.220 54.840 -0.009 0.000 0.818 237 L CB 1.924 43.922 42.059 -0.101 0.000 1.296 237 L HN 0.821 nan 8.230 nan 0.000 0.427 238 C N -0.387 118.996 119.300 0.139 0.000 3.306 238 C HA 0.406 4.880 4.460 0.023 0.000 0.335 238 C C -0.717 174.381 174.990 0.180 0.000 1.382 238 C CA -1.013 58.108 59.018 0.171 0.000 1.254 238 C CB 1.722 29.645 27.740 0.305 0.000 1.555 238 C HN 0.872 nan 8.230 nan 0.000 0.463 239 Q N 0.501 120.410 119.800 0.182 0.000 2.368 239 Q HA 0.163 4.517 4.340 0.023 0.000 0.237 239 Q C 0.956 176.995 176.000 0.064 0.000 0.987 239 Q CA 0.132 55.996 55.803 0.101 0.000 0.896 239 Q CB 1.127 29.894 28.738 0.048 0.000 1.241 239 Q HN 0.846 nan 8.270 nan 0.000 0.485 240 E N 1.283 121.481 120.200 -0.003 0.000 2.171 240 E HA -0.274 4.090 4.350 0.023 0.000 0.197 240 E C 1.712 178.225 176.600 -0.146 0.000 0.997 240 E CA 1.957 58.322 56.400 -0.059 0.000 0.810 240 E CB 0.110 29.780 29.700 -0.049 0.000 0.738 240 E HN 0.559 nan 8.360 nan 0.000 0.467 241 Q N -0.787 118.865 119.800 -0.246 0.000 2.291 241 Q HA -0.166 4.188 4.340 0.023 0.000 0.206 241 Q C 1.229 176.934 176.000 -0.492 0.000 0.976 241 Q CA 1.268 56.816 55.803 -0.425 0.000 0.875 241 Q CB -0.435 27.940 28.738 -0.604 0.000 0.927 241 Q HN 0.429 nan 8.270 nan 0.000 0.450 242 F N 0.277 120.228 119.950 0.001 0.000 2.678 242 F HA 0.451 4.992 4.527 0.023 0.000 0.305 242 F C 2.216 178.014 175.800 -0.004 0.000 1.090 242 F CA -0.177 57.860 58.000 0.062 0.000 1.272 242 F CB -0.200 38.908 39.000 0.180 0.000 1.060 242 F HN 0.060 nan 8.300 nan 0.000 0.576 243 A N 0.880 123.670 122.820 -0.049 0.000 1.873 243 A HA -0.289 4.045 4.320 0.023 0.000 0.218 243 A C 2.363 179.764 177.584 -0.305 0.000 1.193 243 A CA 2.245 54.008 52.037 -0.457 0.000 0.629 243 A CB -0.682 17.806 19.000 -0.852 0.000 0.826 243 A HN 0.340 nan 8.150 nan 0.000 0.447 244 K N -0.743 119.553 120.400 -0.172 0.000 2.026 244 K HA -0.221 4.113 4.320 0.023 0.000 0.208 244 K C 2.311 178.906 176.600 -0.008 0.000 1.048 244 K CA 1.786 58.017 56.287 -0.093 0.000 0.929 244 K CB -0.224 32.245 32.500 -0.051 0.000 0.713 244 K HN 0.643 nan 8.250 nan 0.000 0.439 245 Q N 0.219 120.050 119.800 0.052 0.000 2.084 245 Q HA -0.141 4.213 4.340 0.023 0.000 0.202 245 Q C 2.132 178.193 176.000 0.102 0.000 0.978 245 Q CA 1.366 57.226 55.803 0.095 0.000 0.844 245 Q CB -0.017 28.812 28.738 0.152 0.000 0.898 245 Q HN 0.312 nan 8.270 nan 0.000 0.426 246 I N 1.225 121.869 120.570 0.122 0.000 2.179 246 I HA -0.245 3.939 4.170 0.023 0.000 0.242 246 I C 1.553 177.747 176.117 0.127 0.000 1.088 246 I CA 1.437 62.812 61.300 0.124 0.000 1.357 246 I CB -0.979 37.142 38.000 0.201 0.000 1.051 246 I HN 0.224 nan 8.210 nan 0.000 0.409 247 D N 0.880 121.322 120.400 0.070 0.000 2.123 247 D HA -0.166 4.488 4.640 0.023 0.000 0.196 247 D C 2.155 178.588 176.300 0.223 0.000 0.992 247 D CA 1.019 55.024 54.000 0.009 0.000 0.833 247 D CB -0.113 40.420 40.800 -0.446 0.000 0.954 247 D HN 0.168 nan 8.370 nan 0.000 0.455 248 K N 0.573 121.070 120.400 0.162 0.000 2.148 248 K HA 0.046 4.380 4.320 0.023 0.000 0.204 248 K C 1.953 178.670 176.600 0.194 0.000 1.050 248 K CA 0.658 57.059 56.287 0.190 0.000 0.942 248 K CB -0.266 32.311 32.500 0.129 0.000 0.724 248 K HN 0.074 nan 8.250 nan 0.000 0.446 249 A N 1.532 124.477 122.820 0.208 0.000 1.898 249 A HA -0.126 4.208 4.320 0.023 0.000 0.216 249 A C 2.139 179.796 177.584 0.122 0.000 1.181 249 A CA 1.052 53.248 52.037 0.264 0.000 0.620 249 A CB -0.306 18.844 19.000 0.250 0.000 0.819 249 A HN 0.085 nan 8.150 nan 0.000 0.442 250 I N -2.638 118.028 120.570 0.161 0.000 2.202 250 I HA 0.030 4.214 4.170 0.023 0.000 0.242 250 I C 0.498 176.742 176.117 0.211 0.000 1.091 250 I CA 1.290 62.676 61.300 0.144 0.000 1.368 250 I CB -0.537 37.589 38.000 0.210 0.000 1.058 250 I HN 0.336 nan 8.210 nan 0.000 0.410 251 F N 2.408 122.460 119.950 0.170 0.000 2.588 251 F HA 0.406 4.948 4.527 0.026 0.000 0.318 251 F C -2.235 173.689 175.800 0.207 0.000 1.155 251 F CA -1.868 56.214 58.000 0.136 0.000 0.967 251 F CB 2.016 41.062 39.000 0.077 0.000 1.236 251 F HN -0.242 nan 8.300 nan 0.000 0.455 252 P HA 0.172 nan 4.420 nan 0.000 0.257 252 P C 0.962 178.020 177.300 -0.404 0.000 1.325 252 P CA 0.523 62.956 63.100 -1.111 0.000 0.850 252 P CB 0.358 31.471 31.700 -0.978 0.000 1.324 253 G N 2.253 110.946 108.800 -0.178 0.000 2.524 253 G HA2 -0.193 3.781 3.960 0.023 0.000 0.215 253 G HA3 -0.193 3.781 3.960 0.023 0.000 0.215 253 G C 1.286 175.914 174.900 -0.452 0.000 1.239 253 G CA 1.080 46.058 45.100 -0.204 0.000 0.798 253 G HN 0.441 nan 8.290 nan 0.000 0.557 254 I N -3.662 116.702 120.570 -0.345 0.000 4.403 254 I HA 0.451 4.635 4.170 0.023 0.000 0.331 254 I C 0.475 176.511 176.117 -0.136 0.000 1.327 254 I CA -0.237 60.862 61.300 -0.334 0.000 1.175 254 I CB 0.597 38.359 38.000 -0.397 0.000 1.165 254 I HN 0.046 nan 8.210 nan 0.000 0.413 255 Q N 0.786 120.570 119.800 -0.026 0.000 2.552 255 Q HA 0.659 5.013 4.340 0.023 0.000 0.289 255 Q C -0.132 176.032 176.000 0.274 0.000 1.097 255 Q CA -0.472 55.377 55.803 0.077 0.000 0.812 255 Q CB 2.481 31.173 28.738 -0.076 0.000 1.460 255 Q HN 0.255 nan 8.270 nan 0.000 0.452 256 G N -0.439 108.540 108.800 0.298 0.000 3.306 256 G HA2 0.458 4.432 3.960 0.023 0.000 0.202 256 G HA3 0.458 4.432 3.960 0.023 0.000 0.202 256 G C -0.241 174.762 174.900 0.172 0.000 1.673 256 G CA -0.118 45.209 45.100 0.377 0.000 0.776 256 G HN 0.582 nan 8.290 nan 0.000 0.740 257 G N 2.081 111.002 108.800 0.202 0.000 2.313 257 G HA2 0.473 4.447 3.960 0.023 0.000 0.250 257 G HA3 0.473 4.447 3.960 0.023 0.000 0.250 257 G C -2.028 172.852 174.900 -0.033 0.000 1.281 257 G CA -0.294 44.799 45.100 -0.013 0.000 0.917 257 G HN 0.371 nan 8.290 nan 0.000 0.501 258 P HA 0.151 nan 4.420 nan 0.000 0.274 258 P C -0.065 177.215 177.300 -0.034 0.000 1.237 258 P CA -0.440 62.638 63.100 -0.036 0.000 0.793 258 P CB 1.227 32.851 31.700 -0.127 0.000 0.977 259 L N 2.576 123.802 121.223 0.005 0.000 2.375 259 L HA 0.132 4.486 4.340 0.023 0.000 0.276 259 L C 1.809 178.583 176.870 -0.160 0.000 1.162 259 L CA -0.494 54.280 54.840 -0.110 0.000 0.991 259 L CB -0.122 41.794 42.059 -0.238 0.000 1.315 259 L HN 0.238 nan 8.230 nan 0.000 0.431 260 M N 1.310 120.900 119.600 -0.018 0.000 2.213 260 M HA -0.152 4.342 4.480 0.023 0.000 0.263 260 M C 2.393 178.696 176.300 0.004 0.000 1.062 260 M CA 1.534 56.826 55.300 -0.014 0.000 1.105 260 M CB -1.079 31.517 32.600 -0.007 0.000 1.385 260 M HN 0.634 nan 8.290 nan 0.000 0.417 261 H N -0.746 118.277 119.070 -0.078 0.000 2.387 261 H HA 0.018 4.576 4.556 0.004 0.000 0.299 261 H C 2.091 177.377 175.328 -0.070 0.000 1.090 261 H CA 1.481 57.487 56.048 -0.070 0.000 1.332 261 H CB -1.449 28.270 29.762 -0.072 0.000 1.386 261 H HN 0.250 nan 8.280 nan 0.000 0.516 262 V N 1.619 121.207 119.914 -0.542 0.000 2.453 262 V HA -0.168 3.965 4.120 0.023 0.000 0.247 262 V C 2.983 178.949 176.094 -0.213 0.000 1.048 262 V CA 1.424 63.513 62.300 -0.352 0.000 1.049 262 V CB -0.554 31.044 31.823 -0.375 0.000 0.672 262 V HN 0.244 nan 8.190 nan 0.000 0.457 263 I N 0.655 121.119 120.570 -0.178 0.000 2.226 263 I HA -0.247 3.937 4.170 0.023 0.000 0.245 263 I C 2.708 178.744 176.117 -0.136 0.000 1.100 263 I CA 1.432 62.655 61.300 -0.129 0.000 1.374 263 I CB -0.593 37.361 38.000 -0.077 0.000 1.057 263 I HN 0.293 nan 8.210 nan 0.000 0.413 264 A N 0.889 123.649 122.820 -0.099 0.000 1.892 264 A HA -0.248 4.086 4.320 0.023 0.000 0.218 264 A C 2.548 180.055 177.584 -0.129 0.000 1.188 264 A CA 2.149 54.135 52.037 -0.084 0.000 0.631 264 A CB -0.922 18.056 19.000 -0.036 0.000 0.822 264 A HN 0.449 nan 8.150 nan 0.000 0.447 265 A N -0.438 122.299 122.820 -0.138 0.000 1.933 265 A HA -0.157 4.177 4.320 0.023 0.000 0.218 265 A C 2.092 179.519 177.584 -0.263 0.000 1.175 265 A CA 1.800 53.745 52.037 -0.154 0.000 0.628 265 A CB -0.422 18.506 19.000 -0.121 0.000 0.814 265 A HN 0.578 nan 8.150 nan 0.000 0.444 266 K N -0.234 119.952 120.400 -0.357 0.000 2.032 266 K HA -0.112 4.222 4.320 0.023 0.000 0.209 266 K C 2.349 178.324 176.600 -1.042 0.000 1.048 266 K CA 1.213 57.058 56.287 -0.736 0.000 0.927 266 K CB -0.390 31.730 32.500 -0.633 0.000 0.712 266 K HN 0.437 nan 8.250 nan 0.000 0.441 267 A N 1.177 123.674 122.820 -0.537 0.000 1.908 267 A HA -0.162 4.172 4.320 0.023 0.000 0.218 267 A C 2.419 179.876 177.584 -0.211 0.000 1.181 267 A CA 1.743 53.609 52.037 -0.285 0.000 0.627 267 A CB -0.814 18.121 19.000 -0.108 0.000 0.818 267 A HN 0.089 nan 8.150 nan 0.000 0.445 268 V N -0.213 119.582 119.914 -0.198 0.000 2.295 268 V HA -0.257 3.877 4.120 0.023 0.000 0.246 268 V C 3.063 179.081 176.094 -0.125 0.000 1.049 268 V CA 2.034 64.261 62.300 -0.122 0.000 1.024 268 V CB -1.351 30.415 31.823 -0.096 0.000 0.648 268 V HN 0.632 nan 8.190 nan 0.000 0.447 269 A N -0.432 122.267 122.820 -0.202 0.000 1.902 269 A HA -0.176 4.158 4.320 0.023 0.000 0.217 269 A C 2.145 179.710 177.584 -0.032 0.000 1.181 269 A CA 1.833 53.785 52.037 -0.141 0.000 0.623 269 A CB -0.761 18.142 19.000 -0.161 0.000 0.818 269 A HN 0.548 nan 8.150 nan 0.000 0.443 270 F N 0.009 119.892 119.950 -0.111 0.000 2.171 270 F HA -0.107 4.441 4.527 0.035 0.000 0.300 270 F C 2.730 178.438 175.800 -0.154 0.000 1.090 270 F CA 0.239 58.155 58.000 -0.140 0.000 1.293 270 F CB -0.580 38.374 39.000 -0.076 0.000 1.013 270 F HN 0.370 nan 8.300 nan 0.000 0.486 271 G N 0.350 109.188 108.800 0.063 0.000 2.446 271 G HA2 -0.253 3.721 3.960 0.023 0.000 0.217 271 G HA3 -0.253 3.721 3.960 0.023 0.000 0.217 271 G C 1.375 176.259 174.900 -0.026 0.000 1.168 271 G CA 0.941 46.046 45.100 0.008 0.000 0.771 271 G HN 0.347 nan 8.290 nan 0.000 0.551 272 E N 0.492 120.664 120.200 -0.048 0.000 2.110 272 E HA -0.040 4.324 4.350 0.023 0.000 0.193 272 E C 2.878 179.400 176.600 -0.131 0.000 0.988 272 E CA 0.770 57.140 56.400 -0.050 0.000 0.804 272 E CB -0.184 29.494 29.700 -0.038 0.000 0.745 272 E HN 0.429 nan 8.360 nan 0.000 0.458 273 A N 0.868 123.472 122.820 -0.360 0.000 2.015 273 A HA -0.087 4.247 4.320 0.023 0.000 0.219 273 A C 2.068 179.484 177.584 -0.280 0.000 1.163 273 A CA 0.749 52.313 52.037 -0.789 0.000 0.646 273 A CB -0.374 18.087 19.000 -0.897 0.000 0.806 273 A HN 0.135 nan 8.150 nan 0.000 0.448 274 L N -0.428 120.710 121.223 -0.143 0.000 2.465 274 L HA -0.066 4.288 4.340 0.023 0.000 0.224 274 L C 0.913 177.788 176.870 0.008 0.000 1.145 274 L CA 0.190 54.991 54.840 -0.066 0.000 0.834 274 L CB -0.273 41.754 42.059 -0.054 0.000 0.944 274 L HN 0.479 nan 8.230 nan 0.000 0.451 275 Q N -0.132 119.694 119.800 0.045 0.000 2.354 275 Q HA -0.019 4.335 4.340 0.023 0.000 0.244 275 Q C 0.444 176.522 176.000 0.129 0.000 0.969 275 Q CA -0.566 55.286 55.803 0.081 0.000 0.885 275 Q CB 0.978 29.768 28.738 0.087 0.000 1.241 275 Q HN 0.032 nan 8.270 nan 0.000 0.461 276 D N 1.607 122.064 120.400 0.095 0.000 2.123 276 D HA -0.195 4.458 4.640 0.023 0.000 0.196 276 D C 1.289 177.661 176.300 0.120 0.000 0.992 276 D CA 1.666 55.723 54.000 0.095 0.000 0.833 276 D CB -0.141 40.697 40.800 0.064 0.000 0.954 276 D HN 0.666 nan 8.370 nan 0.000 0.455 277 D N -0.130 120.345 120.400 0.124 0.000 2.263 277 D HA -0.191 4.463 4.640 0.023 0.000 0.208 277 D C 1.931 178.341 176.300 0.183 0.000 0.971 277 D CA 0.340 54.416 54.000 0.128 0.000 0.867 277 D CB -0.963 39.899 40.800 0.103 0.000 0.929 277 D HN 0.274 nan 8.370 nan 0.000 0.492 278 F N 1.582 121.592 119.950 0.100 0.000 2.186 278 F HA -0.012 4.528 4.527 0.022 0.000 0.299 278 F C 2.046 177.956 175.800 0.183 0.000 1.090 278 F CA 1.215 59.313 58.000 0.162 0.000 1.307 278 F CB 0.069 39.137 39.000 0.114 0.000 1.019 278 F HN -0.182 nan 8.300 nan 0.000 0.489 279 K N 0.219 120.732 120.400 0.188 0.000 2.057 279 K HA -0.114 4.220 4.320 0.023 0.000 0.207 279 K C 2.303 178.892 176.600 -0.018 0.000 1.049 279 K CA 1.181 57.513 56.287 0.074 0.000 0.931 279 K CB -0.637 31.926 32.500 0.105 0.000 0.714 279 K HN 0.333 nan 8.250 nan 0.000 0.440 280 A N 1.400 124.233 122.820 0.022 0.000 1.902 280 A HA -0.217 4.117 4.320 0.023 0.000 0.217 280 A C 2.139 179.710 177.584 -0.023 0.000 1.181 280 A CA 1.423 53.466 52.037 0.010 0.000 0.623 280 A CB -0.829 18.198 19.000 0.045 0.000 0.818 280 A HN 0.447 nan 8.150 nan 0.000 0.443 281 Y N 0.856 121.068 120.300 -0.145 0.000 2.097 281 Y HA -0.170 4.397 4.550 0.028 0.000 0.282 281 Y C 2.580 178.329 175.900 -0.253 0.000 1.152 281 Y CA 1.566 59.546 58.100 -0.199 0.000 1.136 281 Y CB -0.804 37.494 38.460 -0.271 0.000 0.975 281 Y HN 0.286 nan 8.280 nan 0.000 0.498 282 A N 0.550 122.940 122.820 -0.717 0.000 1.940 282 A HA -0.233 4.101 4.320 0.023 0.000 0.219 282 A C 2.362 179.726 177.584 -0.366 0.000 1.176 282 A CA 1.986 53.616 52.037 -0.679 0.000 0.631 282 A CB -0.854 17.881 19.000 -0.443 0.000 0.814 282 A HN 0.583 nan 8.150 nan 0.000 0.446 283 K N -0.455 119.811 120.400 -0.222 0.000 2.097 283 K HA -0.130 4.204 4.320 0.023 0.000 0.206 283 K C 2.259 178.786 176.600 -0.123 0.000 1.049 283 K CA 1.245 57.460 56.287 -0.120 0.000 0.933 283 K CB -0.164 32.300 32.500 -0.060 0.000 0.717 283 K HN 0.449 nan 8.250 nan 0.000 0.442 284 R N 0.165 120.575 120.500 -0.151 0.000 2.096 284 R HA -0.091 4.263 4.340 0.023 0.000 0.235 284 R C 2.270 178.490 176.300 -0.134 0.000 1.127 284 R CA 1.237 57.275 56.100 -0.103 0.000 0.968 284 R CB -0.334 29.937 30.300 -0.048 0.000 0.861 284 R HN 0.061 nan 8.270 nan 0.000 0.440 285 V N 0.642 120.386 119.914 -0.284 0.000 2.255 285 V HA -0.250 3.883 4.120 0.023 0.000 0.247 285 V C 2.390 178.431 176.094 -0.087 0.000 1.051 285 V CA 1.826 63.991 62.300 -0.225 0.000 1.018 285 V CB -0.398 31.199 31.823 -0.378 0.000 0.641 285 V HN 0.117 nan 8.190 nan 0.000 0.445 286 V N 0.089 119.952 119.914 -0.084 0.000 2.307 286 V HA -0.244 3.890 4.120 0.023 0.000 0.245 286 V C 2.302 178.387 176.094 -0.016 0.000 1.045 286 V CA 2.197 64.484 62.300 -0.022 0.000 1.024 286 V CB -0.785 31.031 31.823 -0.011 0.000 0.651 286 V HN 0.536 nan 8.190 nan 0.000 0.449 287 D N 0.397 120.781 120.400 -0.026 0.000 2.116 287 D HA -0.165 4.489 4.640 0.023 0.000 0.193 287 D C 2.063 178.363 176.300 0.001 0.000 0.998 287 D CA 1.361 55.354 54.000 -0.010 0.000 0.836 287 D CB -0.464 40.329 40.800 -0.011 0.000 0.951 287 D HN 0.360 nan 8.370 nan 0.000 0.449 288 N N 0.428 119.129 118.700 0.002 0.000 2.120 288 N HA -0.082 4.672 4.740 0.023 0.000 0.188 288 N C 1.706 177.229 175.510 0.021 0.000 1.024 288 N CA 1.264 54.328 53.050 0.024 0.000 0.852 288 N CB -0.417 38.096 38.487 0.043 0.000 1.003 288 N HN 0.147 nan 8.380 nan 0.000 0.424 289 A N 1.030 123.856 122.820 0.010 0.000 1.902 289 A HA -0.135 4.199 4.320 0.023 0.000 0.217 289 A C 2.194 179.777 177.584 -0.001 0.000 1.181 289 A CA 1.553 53.591 52.037 0.002 0.000 0.623 289 A CB -0.359 18.640 19.000 -0.002 0.000 0.818 289 A HN 0.152 nan 8.150 nan 0.000 0.443 290 K N -0.617 119.783 120.400 0.001 0.000 2.057 290 K HA -0.116 4.218 4.320 0.023 0.000 0.207 290 K C 2.240 178.845 176.600 0.008 0.000 1.049 290 K CA 1.641 57.929 56.287 0.001 0.000 0.931 290 K CB -0.196 32.305 32.500 0.001 0.000 0.714 290 K HN 0.378 nan 8.250 nan 0.000 0.440 291 R N 0.675 121.182 120.500 0.012 0.000 2.075 291 R HA -0.055 4.299 4.340 0.023 0.000 0.232 291 R C 1.959 178.272 176.300 0.022 0.000 1.126 291 R CA 1.139 57.249 56.100 0.017 0.000 0.963 291 R CB -0.795 29.517 30.300 0.019 0.000 0.858 291 R HN 0.169 nan 8.270 nan 0.000 0.435 292 L N 0.304 121.540 121.223 0.022 0.000 2.046 292 L HA 0.036 4.390 4.340 0.023 0.000 0.208 292 L C 2.088 178.968 176.870 0.017 0.000 1.077 292 L CA 2.180 57.033 54.840 0.023 0.000 0.747 292 L CB -1.089 40.982 42.059 0.020 0.000 0.896 292 L HN 0.281 nan 8.230 nan 0.000 0.432 293 A N -1.383 121.443 122.820 0.009 0.000 1.865 293 A HA -0.230 4.104 4.320 0.023 0.000 0.217 293 A C 2.401 180.004 177.584 0.031 0.000 1.191 293 A CA 2.239 54.282 52.037 0.010 0.000 0.623 293 A CB -1.147 17.853 19.000 -0.001 0.000 0.826 293 A HN 0.519 nan 8.150 nan 0.000 0.444 294 S N -0.236 115.480 115.700 0.027 0.000 2.370 294 S HA -0.082 4.402 4.470 0.023 0.000 0.226 294 S C 2.290 176.917 174.600 0.044 0.000 1.033 294 S CA 1.324 59.542 58.200 0.031 0.000 1.011 294 S CB -0.516 62.697 63.200 0.022 0.000 0.852 294 S HN 0.821 nan 8.310 nan 0.000 0.457 295 A N 1.129 123.976 122.820 0.045 0.000 1.933 295 A HA 0.025 4.358 4.320 0.023 0.000 0.218 295 A C 2.112 179.755 177.584 0.098 0.000 1.175 295 A CA 1.044 53.115 52.037 0.058 0.000 0.628 295 A CB -0.641 18.387 19.000 0.048 0.000 0.814 295 A HN 0.448 nan 8.150 nan 0.000 0.444 296 L N -0.901 120.390 121.223 0.113 0.000 2.046 296 L HA -0.253 4.101 4.340 0.023 0.000 0.208 296 L C 2.894 179.930 176.870 0.276 0.000 1.077 296 L CA 1.565 56.538 54.840 0.221 0.000 0.747 296 L CB -0.531 41.588 42.059 0.099 0.000 0.896 296 L HN 0.476 nan 8.230 nan 0.000 0.432 297 Q N -0.444 119.447 119.800 0.153 0.000 2.096 297 Q HA -0.248 4.106 4.340 0.023 0.000 0.204 297 Q C 2.027 178.066 176.000 0.066 0.000 0.982 297 Q CA 1.674 57.541 55.803 0.107 0.000 0.850 297 Q CB -0.343 28.435 28.738 0.067 0.000 0.901 297 Q HN 0.512 nan 8.270 nan 0.000 0.422 298 N N 0.415 119.152 118.700 0.061 0.000 2.205 298 N HA -0.184 4.570 4.740 0.023 0.000 0.186 298 N C 1.133 176.654 175.510 0.018 0.000 1.015 298 N CA 0.820 53.890 53.050 0.034 0.000 0.862 298 N CB 0.226 38.734 38.487 0.034 0.000 0.986 298 N HN 0.211 nan 8.380 nan 0.000 0.429 299 E N -0.367 119.862 120.200 0.049 0.000 2.482 299 E HA 0.009 4.373 4.350 0.023 0.000 0.196 299 E C 1.115 177.581 176.600 -0.223 0.000 1.047 299 E CA 0.663 57.053 56.400 -0.017 0.000 0.869 299 E CB 0.054 29.840 29.700 0.142 0.000 0.836 299 E HN 0.602 nan 8.360 nan 0.000 0.520 300 G N 0.769 109.467 108.800 -0.169 0.000 2.179 300 G HA2 -0.226 3.748 3.960 0.023 0.000 0.220 300 G HA3 -0.226 3.748 3.960 0.023 0.000 0.220 300 G C -0.036 174.703 174.900 -0.269 0.000 0.990 300 G CA -0.357 44.601 45.100 -0.236 0.000 0.646 300 G HN 0.129 nan 8.290 nan 0.000 0.517 301 F N 1.952 121.906 119.950 0.007 0.000 2.399 301 F HA 0.563 5.105 4.527 0.024 0.000 0.342 301 F C 1.184 176.990 175.800 0.010 0.000 1.106 301 F CA 0.065 58.070 58.000 0.007 0.000 1.196 301 F CB 1.241 40.245 39.000 0.006 0.000 1.163 301 F HN -0.087 nan 8.300 nan 0.000 0.547 302 T N 4.827 119.507 114.554 0.211 0.000 2.806 302 T HA 0.523 4.887 4.350 0.023 0.000 0.290 302 T C -0.130 174.642 174.700 0.120 0.000 0.966 302 T CA -0.500 61.679 62.100 0.132 0.000 1.060 302 T CB 0.327 69.257 68.868 0.102 0.000 0.927 302 T HN 0.274 nan 8.240 nan 0.000 0.485 303 L N 3.049 124.327 121.223 0.092 0.000 2.317 303 L HA 0.487 4.841 4.340 0.023 0.000 0.281 303 L C 0.169 177.085 176.870 0.076 0.000 1.024 303 L CA -1.323 53.551 54.840 0.058 0.000 0.810 303 L CB 1.490 43.572 42.059 0.039 0.000 1.240 303 L HN 0.320 nan 8.230 nan 0.000 0.427 304 V N 2.876 122.808 119.914 0.030 0.000 2.617 304 V HA -0.088 4.046 4.120 0.023 0.000 0.304 304 V C 1.187 177.374 176.094 0.155 0.000 1.040 304 V CA 1.295 63.617 62.300 0.036 0.000 1.149 304 V CB 0.846 32.588 31.823 -0.135 0.000 0.914 304 V HN 1.180 nan 8.190 nan 0.000 0.487 305 S N 2.538 118.492 115.700 0.423 0.000 2.981 305 S HA -0.226 4.258 4.470 0.023 0.000 0.274 305 S C 1.356 176.000 174.600 0.074 0.000 1.297 305 S CA 1.229 59.540 58.200 0.185 0.000 1.266 305 S CB -1.941 61.304 63.200 0.075 0.000 1.542 305 S HN 2.840 nan 8.310 nan 0.000 0.674 306 G N -0.447 108.404 108.800 0.085 0.000 2.148 306 G HA2 0.311 4.285 3.960 0.023 0.000 0.254 306 G HA3 0.311 4.285 3.960 0.023 0.000 0.254 306 G C 1.006 175.920 174.900 0.023 0.000 0.981 306 G CA 0.636 45.763 45.100 0.044 0.000 0.670 306 G HN 2.623 nan 8.290 nan 0.000 0.528 307 G N -2.677 106.129 108.800 0.011 0.000 2.441 307 G HA2 0.662 4.636 3.960 0.023 0.000 0.222 307 G HA3 0.662 4.636 3.960 0.023 0.000 0.222 307 G C -0.575 174.303 174.900 -0.035 0.000 1.254 307 G CA 0.923 46.018 45.100 -0.008 0.000 0.959 307 G HN 1.862 nan 8.290 nan 0.000 0.474 308 T N -1.066 113.464 114.554 -0.040 0.000 2.932 308 T HA 0.566 4.930 4.350 0.023 0.000 0.318 308 T C -1.162 173.515 174.700 -0.039 0.000 1.265 308 T CA 0.096 62.160 62.100 -0.060 0.000 1.036 308 T CB 1.890 70.720 68.868 -0.064 0.000 1.209 308 T HN 0.302 nan 8.240 nan 0.000 0.484 309 D N 1.821 122.198 120.400 -0.038 0.000 2.398 309 D HA 0.197 4.851 4.640 0.023 0.000 0.210 309 D C 0.658 176.990 176.300 0.053 0.000 1.094 309 D CA 0.249 54.248 54.000 -0.001 0.000 0.839 309 D CB 0.513 41.307 40.800 -0.009 0.000 0.963 309 D HN 0.665 nan 8.370 nan 0.000 0.506 310 N N -0.730 118.006 118.700 0.060 0.000 3.567 310 N HA -0.018 4.736 4.740 0.023 0.000 0.347 310 N C 0.940 176.531 175.510 0.136 0.000 1.553 310 N CA -0.335 52.810 53.050 0.159 0.000 0.636 310 N CB -0.204 38.456 38.487 0.290 0.000 2.483 310 N HN -0.154 nan 8.380 nan 0.000 0.608 311 H N -0.967 118.116 119.070 0.023 0.000 2.551 311 H HA 0.331 4.901 4.556 0.024 0.000 0.266 311 H C 0.049 175.385 175.328 0.013 0.000 0.964 311 H CA -0.105 55.948 56.048 0.009 0.000 1.180 311 H CB -0.394 29.383 29.762 0.025 0.000 1.408 311 H HN 0.515 nan 8.280 nan 0.000 0.563 312 L N 0.056 120.985 121.223 -0.491 0.000 2.354 312 L HA 0.674 5.028 4.340 0.023 0.000 0.264 312 L C -1.159 175.574 176.870 -0.229 0.000 1.008 312 L CA -1.575 53.011 54.840 -0.424 0.000 0.819 312 L CB 2.329 44.008 42.059 -0.632 0.000 1.339 312 L HN 0.035 nan 8.230 nan 0.000 0.420 313 L N 0.446 121.571 121.223 -0.163 0.000 2.376 313 L HA 0.873 5.227 4.340 0.023 0.000 0.258 313 L C -1.586 175.219 176.870 -0.108 0.000 1.013 313 L CA -0.820 53.949 54.840 -0.118 0.000 0.822 313 L CB 2.008 44.017 42.059 -0.083 0.000 1.388 313 L HN 0.640 nan 8.230 nan 0.000 0.413 314 L N 1.862 123.031 121.223 -0.090 0.000 2.381 314 L HA 0.710 5.064 4.340 0.023 0.000 0.274 314 L C -0.764 176.064 176.870 -0.069 0.000 0.988 314 L CA -0.909 53.880 54.840 -0.084 0.000 0.824 314 L CB 2.146 44.154 42.059 -0.085 0.000 1.263 314 L HN 0.455 nan 8.230 nan 0.000 0.410 315 V N 1.382 121.249 119.914 -0.079 0.000 2.432 315 V HA 0.160 4.294 4.120 0.023 0.000 0.275 315 V C -0.192 175.886 176.094 -0.026 0.000 1.043 315 V CA -0.395 61.870 62.300 -0.060 0.000 0.925 315 V CB 1.489 33.222 31.823 -0.150 0.000 0.985 315 V HN 0.647 nan 8.190 nan 0.000 0.466 316 D N 4.570 124.979 120.400 0.014 0.000 2.365 316 D HA 0.219 4.873 4.640 0.023 0.000 0.237 316 D C 0.614 176.957 176.300 0.072 0.000 1.190 316 D CA -0.067 53.946 54.000 0.022 0.000 0.867 316 D CB 1.122 41.937 40.800 0.024 0.000 1.050 316 D HN 0.456 nan 8.370 nan 0.000 0.491 317 L N 3.602 124.862 121.223 0.062 0.000 2.591 317 L HA 0.169 4.523 4.340 0.023 0.000 0.228 317 L C 2.305 179.223 176.870 0.080 0.000 1.133 317 L CA -0.098 54.801 54.840 0.098 0.000 0.880 317 L CB -0.002 42.103 42.059 0.076 0.000 1.033 317 L HN 0.281 nan 8.230 nan 0.000 0.450 318 R N 0.631 121.167 120.500 0.060 0.000 2.091 318 R HA -0.163 4.191 4.340 0.023 0.000 0.238 318 R C -0.394 175.933 176.300 0.045 0.000 1.136 318 R CA 1.470 57.598 56.100 0.048 0.000 0.959 318 R CB -1.406 28.920 30.300 0.043 0.000 0.856 318 R HN 0.321 nan 8.270 nan 0.000 0.437 319 P HA -0.118 nan 4.420 nan 0.000 0.222 319 P C 0.518 177.830 177.300 0.019 0.000 1.147 319 P CA 1.189 64.306 63.100 0.029 0.000 0.790 319 P CB 0.159 31.874 31.700 0.025 0.000 0.780 320 Q N -1.157 118.667 119.800 0.040 0.000 2.360 320 Q HA 0.112 4.466 4.340 0.023 0.000 0.202 320 Q C 0.320 176.343 176.000 0.038 0.000 0.915 320 Q CA 0.126 55.950 55.803 0.036 0.000 0.943 320 Q CB -0.419 28.367 28.738 0.080 0.000 1.064 320 Q HN 0.115 nan 8.270 nan 0.000 0.511 321 Q N -0.356 119.466 119.800 0.037 0.000 2.457 321 Q HA -0.219 4.135 4.340 0.023 0.000 0.283 321 Q C -0.918 175.105 176.000 0.038 0.000 1.234 321 Q CA 0.725 56.547 55.803 0.033 0.000 0.877 321 Q CB -1.956 26.796 28.738 0.023 0.000 1.250 321 Q HN 0.400 nan 8.270 nan 0.000 0.481 322 L N 0.121 121.373 121.223 0.049 0.000 2.334 322 L HA 0.497 4.851 4.340 0.023 0.000 0.273 322 L C 1.006 177.901 176.870 0.041 0.000 1.013 322 L CA -0.606 54.263 54.840 0.048 0.000 0.816 322 L CB 1.809 43.906 42.059 0.065 0.000 1.278 322 L HN 0.090 nan 8.230 nan 0.000 0.431 323 T N -1.740 112.835 114.554 0.034 0.000 2.899 323 T HA 0.262 4.626 4.350 0.023 0.000 0.284 323 T C 1.229 175.943 174.700 0.023 0.000 1.004 323 T CA -0.124 61.993 62.100 0.028 0.000 1.043 323 T CB 1.634 70.520 68.868 0.029 0.000 1.013 323 T HN 0.700 nan 8.240 nan 0.000 0.518 324 G N 0.302 109.110 108.800 0.013 0.000 2.422 324 G HA2 -0.209 3.765 3.960 0.023 0.000 0.218 324 G HA3 -0.209 3.765 3.960 0.023 0.000 0.218 324 G C 1.365 176.269 174.900 0.006 0.000 1.146 324 G CA 0.885 45.986 45.100 0.001 0.000 0.769 324 G HN 0.846 nan 8.290 nan 0.000 0.547 325 K N -0.214 120.196 120.400 0.017 0.000 2.026 325 K HA -0.104 4.230 4.320 0.023 0.000 0.208 325 K C 2.573 179.186 176.600 0.022 0.000 1.048 325 K CA 1.750 58.051 56.287 0.024 0.000 0.929 325 K CB -0.312 32.210 32.500 0.037 0.000 0.713 325 K HN 0.262 nan 8.250 nan 0.000 0.439 326 T N 0.654 115.223 114.554 0.024 0.000 2.708 326 T HA -0.116 4.248 4.350 0.023 0.000 0.266 326 T C 1.831 176.545 174.700 0.023 0.000 1.037 326 T CA 1.334 63.449 62.100 0.025 0.000 1.146 326 T CB -0.289 68.596 68.868 0.028 0.000 0.865 326 T HN 0.426 nan 8.240 nan 0.000 0.435 327 A N 1.364 124.196 122.820 0.020 0.000 1.877 327 A HA -0.143 4.191 4.320 0.023 0.000 0.216 327 A C 2.216 179.802 177.584 0.003 0.000 1.186 327 A CA 1.954 53.999 52.037 0.013 0.000 0.620 327 A CB -0.681 18.320 19.000 0.002 0.000 0.822 327 A HN 0.626 nan 8.150 nan 0.000 0.443 328 E N -0.033 120.168 120.200 0.001 0.000 2.085 328 E HA -0.284 4.080 4.350 0.023 0.000 0.194 328 E C 2.088 178.693 176.600 0.008 0.000 0.994 328 E CA 1.721 58.121 56.400 0.000 0.000 0.801 328 E CB -0.166 29.535 29.700 0.001 0.000 0.743 328 E HN 0.639 nan 8.360 nan 0.000 0.453 329 K N 0.221 120.629 120.400 0.013 0.000 2.026 329 K HA -0.125 4.209 4.320 0.023 0.000 0.208 329 K C 2.162 178.772 176.600 0.016 0.000 1.048 329 K CA 1.385 57.682 56.287 0.016 0.000 0.929 329 K CB -0.218 32.293 32.500 0.018 0.000 0.713 329 K HN 0.133 nan 8.250 nan 0.000 0.439 330 V N 1.383 121.308 119.914 0.018 0.000 2.427 330 V HA -0.158 3.976 4.120 0.023 0.000 0.248 330 V C 2.056 178.161 176.094 0.019 0.000 1.051 330 V CA 1.345 63.657 62.300 0.020 0.000 1.048 330 V CB -0.174 31.664 31.823 0.026 0.000 0.666 330 V HN 0.343 nan 8.190 nan 0.000 0.456 331 L N 0.089 121.321 121.223 0.014 0.000 2.083 331 L HA -0.175 4.179 4.340 0.023 0.000 0.209 331 L C 2.360 179.238 176.870 0.013 0.000 1.083 331 L CA 2.193 57.039 54.840 0.011 0.000 0.752 331 L CB -0.721 41.337 42.059 -0.001 0.000 0.899 331 L HN 0.451 nan 8.230 nan 0.000 0.433 332 D N 0.250 120.657 120.400 0.012 0.000 2.158 332 D HA -0.244 4.410 4.640 0.023 0.000 0.197 332 D C 1.979 178.288 176.300 0.016 0.000 0.995 332 D CA 1.334 55.342 54.000 0.014 0.000 0.846 332 D CB 0.113 40.921 40.800 0.014 0.000 0.941 332 D HN 0.322 nan 8.370 nan 0.000 0.456 333 E N -0.602 119.607 120.200 0.016 0.000 2.204 333 E HA -0.121 4.243 4.350 0.023 0.000 0.195 333 E C 1.990 178.600 176.600 0.018 0.000 0.990 333 E CA 1.186 57.596 56.400 0.017 0.000 0.821 333 E CB 0.161 29.872 29.700 0.017 0.000 0.750 333 E HN 0.470 nan 8.360 nan 0.000 0.477 334 V N -3.777 116.149 119.914 0.019 0.000 3.578 334 V HA 0.459 4.593 4.120 0.023 0.000 0.290 334 V C 1.073 177.180 176.094 0.022 0.000 1.376 334 V CA 0.408 62.721 62.300 0.021 0.000 1.083 334 V CB 0.336 32.173 31.823 0.024 0.000 0.911 334 V HN 0.222 nan 8.190 nan 0.000 0.433 335 G N 0.951 109.764 108.800 0.021 0.000 2.134 335 G HA2 -0.177 3.797 3.960 0.023 0.000 0.209 335 G HA3 -0.177 3.797 3.960 0.023 0.000 0.209 335 G C -0.230 174.686 174.900 0.026 0.000 0.993 335 G CA 0.143 45.256 45.100 0.022 0.000 0.669 335 G HN 0.594 nan 8.290 nan 0.000 0.519 336 I N 1.881 122.465 120.570 0.023 0.000 2.339 336 I HA 0.371 4.555 4.170 0.023 0.000 0.290 336 I C 0.083 176.208 176.117 0.014 0.000 0.994 336 I CA -0.608 60.705 61.300 0.022 0.000 1.191 336 I CB 1.838 39.850 38.000 0.020 0.000 1.343 336 I HN 0.028 nan 8.210 nan 0.000 0.458 337 T N 6.409 120.971 114.554 0.013 0.000 2.753 337 T HA 0.502 4.866 4.350 0.023 0.000 0.297 337 T C 0.002 174.702 174.700 -0.001 0.000 0.981 337 T CA -0.558 61.547 62.100 0.009 0.000 0.956 337 T CB 1.025 69.902 68.868 0.014 0.000 0.936 337 T HN 0.446 nan 8.240 nan 0.000 0.463 338 V N 1.377 121.287 119.914 -0.007 0.000 3.155 338 V HA 0.728 4.862 4.120 0.023 0.000 0.313 338 V C -0.881 175.206 176.094 -0.012 0.000 1.162 338 V CA -1.475 60.815 62.300 -0.016 0.000 1.048 338 V CB 2.072 33.875 31.823 -0.034 0.000 1.092 338 V HN 0.695 nan 8.190 nan 0.000 0.447 339 N N 0.973 119.664 118.700 -0.016 0.000 2.399 339 N HA 0.467 5.220 4.740 0.023 0.000 0.295 339 N C -0.868 174.626 175.510 -0.026 0.000 1.048 339 N CA -0.953 52.088 53.050 -0.015 0.000 0.886 339 N CB 1.570 40.051 38.487 -0.010 0.000 1.185 339 N HN 0.880 nan 8.380 nan 0.000 0.487 340 K N 0.604 120.990 120.400 -0.022 0.000 2.414 340 K HA 0.186 4.520 4.320 0.023 0.000 0.272 340 K C -0.817 175.757 176.600 -0.043 0.000 0.993 340 K CA -0.158 56.112 56.287 -0.028 0.000 0.964 340 K CB 0.469 32.959 32.500 -0.017 0.000 0.925 340 K HN 0.532 nan 8.250 nan 0.000 0.487 341 N N 0.532 119.202 118.700 -0.050 0.000 2.452 341 N HA 0.075 4.829 4.740 0.023 0.000 0.277 341 N C -1.684 173.788 175.510 -0.063 0.000 1.078 341 N CA -0.576 52.437 53.050 -0.062 0.000 0.947 341 N CB 1.766 40.217 38.487 -0.060 0.000 1.655 341 N HN 0.784 nan 8.380 nan 0.000 0.490 342 T N 0.780 115.291 114.554 -0.073 0.000 2.946 342 T HA 0.296 4.660 4.350 0.023 0.000 0.311 342 T C 0.779 175.437 174.700 -0.070 0.000 1.063 342 T CA -0.368 61.693 62.100 -0.065 0.000 1.139 342 T CB -0.117 68.710 68.868 -0.068 0.000 0.994 342 T HN 0.434 nan 8.240 nan 0.000 0.547 343 I N -0.640 119.885 120.570 -0.075 0.000 2.676 343 I HA 0.628 4.812 4.170 0.023 0.000 0.309 343 I C -2.829 173.199 176.117 -0.148 0.000 0.990 343 I CA -3.678 57.548 61.300 -0.123 0.000 1.168 343 I CB 0.984 38.907 38.000 -0.128 0.000 1.343 343 I HN 0.312 nan 8.210 nan 0.000 0.482 344 P HA 0.010 nan 4.420 nan 0.000 0.262 344 P C -1.236 175.973 177.300 -0.152 0.000 1.182 344 P CA 0.714 63.552 63.100 -0.437 0.000 0.761 344 P CB -0.206 31.235 31.700 -0.433 0.000 0.795 345 Y N -0.668 119.578 120.300 -0.091 0.000 3.929 345 Y HA -0.259 4.305 4.550 0.024 0.000 0.225 345 Y C 0.809 176.716 175.900 0.012 0.000 1.200 345 Y CA 0.314 58.426 58.100 0.019 0.000 1.791 345 Y CB -2.376 36.093 38.460 0.015 0.000 1.561 345 Y HN 0.391 nan 8.280 nan 0.000 0.657 346 D N 2.133 122.567 120.400 0.057 0.000 2.450 346 D HA 0.036 4.690 4.640 0.023 0.000 0.247 346 D C -0.788 175.546 176.300 0.057 0.000 1.162 346 D CA -0.978 53.046 54.000 0.040 0.000 0.879 346 D CB 1.120 41.921 40.800 0.001 0.000 1.163 346 D HN 0.164 nan 8.370 nan 0.000 0.472 347 P HA 0.005 nan 4.420 nan 0.000 0.233 347 P C -0.042 177.285 177.300 0.044 0.000 1.167 347 P CA 0.519 63.651 63.100 0.054 0.000 0.770 347 P CB 0.612 32.342 31.700 0.050 0.000 0.837 348 E N 0.451 120.673 120.200 0.037 0.000 2.227 348 E HA 0.250 4.614 4.350 0.023 0.000 0.268 348 E C 0.415 177.039 176.600 0.040 0.000 0.990 348 E CA -0.482 55.942 56.400 0.039 0.000 0.856 348 E CB 1.304 31.024 29.700 0.035 0.000 1.159 348 E HN 0.056 nan 8.360 nan 0.000 0.401 349 S N 1.050 116.789 115.700 0.064 0.000 2.589 349 S HA 0.088 4.572 4.470 0.023 0.000 0.265 349 S C -1.605 173.018 174.600 0.039 0.000 1.342 349 S CA -0.909 57.346 58.200 0.091 0.000 1.005 349 S CB 0.603 63.917 63.200 0.190 0.000 0.909 349 S HN 0.269 nan 8.310 nan 0.000 0.555 350 P HA -0.026 nan 4.420 nan 0.000 0.228 350 P C 0.627 177.734 177.300 -0.321 0.000 1.151 350 P CA 1.034 63.995 63.100 -0.231 0.000 0.770 350 P CB -0.219 31.249 31.700 -0.386 0.000 0.786 351 F N -1.469 118.471 119.950 -0.017 0.000 2.743 351 F HA 0.013 4.554 4.527 0.023 0.000 0.297 351 F C 2.156 177.951 175.800 -0.008 0.000 1.131 351 F CA 0.439 58.431 58.000 -0.013 0.000 1.426 351 F CB -0.243 38.750 39.000 -0.012 0.000 1.116 351 F HN -0.258 nan 8.300 nan 0.000 0.583 352 V N -1.901 118.093 119.914 0.134 0.000 3.001 352 V HA 0.148 4.282 4.120 0.023 0.000 0.228 352 V C 0.629 176.744 176.094 0.035 0.000 1.204 352 V CA 0.865 63.213 62.300 0.081 0.000 1.247 352 V CB -0.118 31.751 31.823 0.077 0.000 1.093 352 V HN 0.373 nan 8.190 nan 0.000 0.504 353 T N -0.674 113.893 114.554 0.022 0.000 0.541 353 T HA -0.228 4.136 4.350 0.023 0.000 0.774 353 T C 0.163 174.867 174.700 0.006 0.000 0.992 353 T CA 0.400 62.499 62.100 -0.002 0.000 4.077 353 T CB -1.440 67.412 68.868 -0.026 0.000 2.303 353 T HN 0.373 nan 8.240 nan 0.000 0.398 354 S N 1.064 116.763 115.700 -0.002 0.000 2.593 354 S HA 0.588 5.072 4.470 0.023 0.000 0.236 354 S C 0.743 175.341 174.600 -0.003 0.000 0.991 354 S CA -0.042 58.162 58.200 0.006 0.000 0.963 354 S CB 0.660 63.867 63.200 0.012 0.000 0.865 354 S HN 1.244 nan 8.310 nan 0.000 0.488 355 G N 1.560 110.349 108.800 -0.019 0.000 2.694 355 G HA2 0.723 4.696 3.960 0.023 0.000 0.290 355 G HA3 0.723 4.696 3.960 0.023 0.000 0.290 355 G C -1.274 173.601 174.900 -0.042 0.000 1.386 355 G CA -0.894 44.186 45.100 -0.033 0.000 0.872 355 G HN 0.307 nan 8.290 nan 0.000 0.475 356 I N -1.913 118.621 120.570 -0.059 0.000 2.608 356 I HA 0.756 4.940 4.170 0.023 0.000 0.295 356 I C -0.402 175.670 176.117 -0.075 0.000 1.049 356 I CA -1.219 60.042 61.300 -0.065 0.000 1.063 356 I CB 2.508 40.462 38.000 -0.077 0.000 1.248 356 I HN 0.447 nan 8.210 nan 0.000 0.424 357 R N 5.773 126.234 120.500 -0.064 0.000 2.312 357 R HA 0.765 5.119 4.340 0.023 0.000 0.311 357 R C -1.540 174.723 176.300 -0.061 0.000 1.004 357 R CA -0.526 55.533 56.100 -0.068 0.000 0.902 357 R CB 1.281 31.547 30.300 -0.058 0.000 1.073 357 R HN 0.812 nan 8.270 nan 0.000 0.457 358 I N 2.509 123.034 120.570 -0.075 0.000 2.647 358 I HA 0.484 4.668 4.170 0.023 0.000 0.295 358 I C -0.025 176.052 176.117 -0.067 0.000 1.078 358 I CA -0.816 60.447 61.300 -0.061 0.000 1.048 358 I CB 2.514 40.471 38.000 -0.071 0.000 1.239 358 I HN 0.774 nan 8.210 nan 0.000 0.421 359 G N 1.160 109.942 108.800 -0.030 0.000 2.612 359 G HA2 0.498 4.472 3.960 0.023 0.000 0.298 359 G HA3 0.498 4.472 3.960 0.023 0.000 0.298 359 G C 0.054 174.970 174.900 0.026 0.000 1.336 359 G CA -0.277 44.816 45.100 -0.011 0.000 0.953 359 G HN 0.593 nan 8.290 nan 0.000 0.482 360 T N -2.011 112.574 114.554 0.051 0.000 3.054 360 T HA 0.373 4.736 4.350 0.023 0.000 0.255 360 T C 2.148 176.885 174.700 0.062 0.000 1.035 360 T CA 1.204 63.334 62.100 0.050 0.000 0.941 360 T CB 0.656 69.551 68.868 0.044 0.000 1.026 360 T HN 0.739 nan 8.240 nan 0.000 0.533 361 A N 1.993 124.866 122.820 0.090 0.000 1.883 361 A HA 0.229 4.563 4.320 0.023 0.000 0.217 361 A C 2.713 180.379 177.584 0.138 0.000 1.186 361 A CA 1.898 54.004 52.037 0.116 0.000 0.624 361 A CB -1.383 17.688 19.000 0.119 0.000 0.822 361 A HN 0.731 nan 8.150 nan 0.000 0.444 362 A N -0.191 122.631 122.820 0.003 0.000 1.855 362 A HA 0.028 4.362 4.320 0.023 0.000 0.215 362 A C 2.336 179.979 177.584 0.097 0.000 1.191 362 A CA 2.259 54.234 52.037 -0.102 0.000 0.613 362 A CB -1.327 17.430 19.000 -0.406 0.000 0.829 362 A HN 1.142 nan 8.150 nan 0.000 0.442 363 V N -2.280 117.622 119.914 -0.020 0.000 2.490 363 V HA -0.186 3.948 4.120 0.023 0.000 0.250 363 V C 2.165 178.221 176.094 -0.064 0.000 1.061 363 V CA 2.657 64.810 62.300 -0.245 0.000 1.064 363 V CB -1.959 29.657 31.823 -0.344 0.000 0.670 363 V HN 0.429 nan 8.190 nan 0.000 0.461 364 T N 0.502 115.125 114.554 0.115 0.000 2.746 364 T HA -0.160 4.204 4.350 0.023 0.000 0.267 364 T C 1.949 176.840 174.700 0.319 0.000 1.039 364 T CA 2.232 64.465 62.100 0.222 0.000 1.142 364 T CB -0.652 68.309 68.868 0.155 0.000 0.866 364 T HN 0.645 nan 8.240 nan 0.000 0.444 365 T N 2.248 117.011 114.554 0.348 0.000 2.759 365 T HA -0.131 4.233 4.350 0.023 0.000 0.269 365 T C 1.926 176.711 174.700 0.142 0.000 1.042 365 T CA 1.248 63.464 62.100 0.193 0.000 1.140 365 T CB -0.228 68.741 68.868 0.169 0.000 0.864 365 T HN 0.580 nan 8.240 nan 0.000 0.455 366 R N 0.969 121.544 120.500 0.126 0.000 2.323 366 R HA 0.266 4.619 4.340 0.023 0.000 0.198 366 R C 1.475 177.860 176.300 0.142 0.000 0.988 366 R CA 0.829 56.950 56.100 0.035 0.000 1.041 366 R CB -0.138 30.084 30.300 -0.130 0.000 0.926 366 R HN 0.358 nan 8.270 nan 0.000 0.476 367 G N 0.235 109.156 108.800 0.202 0.000 2.163 367 G HA2 -0.244 3.730 3.960 0.023 0.000 0.213 367 G HA3 -0.244 3.730 3.960 0.023 0.000 0.213 367 G C -0.020 175.092 174.900 0.353 0.000 0.991 367 G CA -0.365 44.880 45.100 0.242 0.000 0.653 367 G HN 0.303 nan 8.290 nan 0.000 0.518 368 F N 0.889 120.885 119.950 0.077 0.000 2.518 368 F HA 0.436 4.979 4.527 0.026 0.000 0.359 368 F C 1.491 177.321 175.800 0.051 0.000 1.118 368 F CA 0.363 58.397 58.000 0.057 0.000 1.287 368 F CB 1.016 40.052 39.000 0.060 0.000 1.132 368 F HN 0.236 nan 8.300 nan 0.000 0.587 369 G N 1.862 110.754 108.800 0.153 0.000 3.243 369 G HA2 0.392 4.366 3.960 0.023 0.000 0.248 369 G HA3 0.392 4.366 3.960 0.023 0.000 0.248 369 G C 0.435 175.365 174.900 0.050 0.000 1.267 369 G CA -0.793 44.360 45.100 0.088 0.000 0.906 369 G HN 0.548 nan 8.290 nan 0.000 0.592 370 L N 0.034 121.274 121.223 0.027 0.000 2.046 370 L HA -0.049 4.304 4.340 0.023 0.000 0.208 370 L C 2.802 179.673 176.870 0.001 0.000 1.077 370 L CA 1.131 55.981 54.840 0.018 0.000 0.747 370 L CB -0.341 41.725 42.059 0.013 0.000 0.896 370 L HN 0.380 nan 8.230 nan 0.000 0.432 371 E N 0.465 120.654 120.200 -0.019 0.000 2.118 371 E HA -0.224 4.140 4.350 0.023 0.000 0.195 371 E C 2.090 178.650 176.600 -0.066 0.000 0.992 371 E CA 1.268 57.645 56.400 -0.039 0.000 0.804 371 E CB -0.159 29.511 29.700 -0.050 0.000 0.741 371 E HN 0.496 nan 8.360 nan 0.000 0.458 372 E N 0.062 120.197 120.200 -0.107 0.000 2.106 372 E HA -0.092 4.272 4.350 0.023 0.000 0.192 372 E C 1.986 178.567 176.600 -0.032 0.000 0.984 372 E CA 0.750 57.040 56.400 -0.183 0.000 0.806 372 E CB -0.145 29.288 29.700 -0.446 0.000 0.750 372 E HN 0.129 nan 8.360 nan 0.000 0.458 373 M N 0.836 120.453 119.600 0.029 0.000 2.080 373 M HA -0.156 4.338 4.480 0.023 0.000 0.260 373 M C 1.394 177.714 176.300 0.034 0.000 1.068 373 M CA 1.436 56.770 55.300 0.057 0.000 1.109 373 M CB -0.976 31.657 32.600 0.054 0.000 1.342 373 M HN 0.044 nan 8.290 nan 0.000 0.405 374 D N 0.136 120.546 120.400 0.017 0.000 2.123 374 D HA -0.193 4.461 4.640 0.023 0.000 0.196 374 D C 2.010 178.321 176.300 0.017 0.000 0.992 374 D CA 1.468 55.478 54.000 0.017 0.000 0.833 374 D CB -0.215 40.589 40.800 0.006 0.000 0.954 374 D HN 0.403 nan 8.370 nan 0.000 0.455 375 E N 0.524 120.724 120.200 -0.001 0.000 2.072 375 E HA -0.073 4.291 4.350 0.023 0.000 0.190 375 E C 2.157 178.770 176.600 0.022 0.000 0.982 375 E CA 0.614 57.012 56.400 -0.003 0.000 0.803 375 E CB -0.357 29.319 29.700 -0.040 0.000 0.755 375 E HN 0.274 nan 8.360 nan 0.000 0.453 376 I N 0.679 121.271 120.570 0.037 0.000 2.151 376 I HA -0.331 3.853 4.170 0.023 0.000 0.243 376 I C 2.428 178.573 176.117 0.046 0.000 1.080 376 I CA 1.294 62.630 61.300 0.059 0.000 1.339 376 I CB -0.531 37.526 38.000 0.095 0.000 1.039 376 I HN 0.227 nan 8.210 nan 0.000 0.409 377 A N 0.701 123.549 122.820 0.047 0.000 1.908 377 A HA -0.199 4.135 4.320 0.023 0.000 0.218 377 A C 2.542 180.187 177.584 0.103 0.000 1.181 377 A CA 2.037 54.112 52.037 0.064 0.000 0.627 377 A CB -0.896 18.148 19.000 0.073 0.000 0.818 377 A HN 0.461 nan 8.150 nan 0.000 0.445 378 A N -0.193 122.673 122.820 0.077 0.000 1.933 378 A HA -0.063 4.271 4.320 0.023 0.000 0.218 378 A C 2.112 179.742 177.584 0.077 0.000 1.175 378 A CA 1.509 53.591 52.037 0.076 0.000 0.628 378 A CB -0.595 18.432 19.000 0.045 0.000 0.814 378 A HN 0.512 nan 8.150 nan 0.000 0.444 379 I N -0.404 120.203 120.570 0.061 0.000 2.252 379 I HA -0.245 3.939 4.170 0.023 0.000 0.245 379 I C 2.266 178.425 176.117 0.070 0.000 1.102 379 I CA 1.243 62.576 61.300 0.056 0.000 1.385 379 I CB -0.336 37.691 38.000 0.043 0.000 1.064 379 I HN 0.288 nan 8.210 nan 0.000 0.414 380 I N 0.777 121.388 120.570 0.067 0.000 2.226 380 I HA -0.230 3.954 4.170 0.023 0.000 0.245 380 I C 2.701 178.940 176.117 0.204 0.000 1.100 380 I CA 1.669 63.002 61.300 0.054 0.000 1.374 380 I CB -0.938 37.014 38.000 -0.080 0.000 1.057 380 I HN 0.275 nan 8.210 nan 0.000 0.413 381 G N 1.141 110.133 108.800 0.320 0.000 2.459 381 G HA2 -0.293 3.681 3.960 0.023 0.000 0.217 381 G HA3 -0.293 3.681 3.960 0.023 0.000 0.217 381 G C 1.653 176.656 174.900 0.173 0.000 1.183 381 G CA 0.884 46.198 45.100 0.357 0.000 0.776 381 G HN 0.282 nan 8.290 nan 0.000 0.552 382 L N 0.725 122.016 121.223 0.113 0.000 2.013 382 L HA -0.092 4.262 4.340 0.023 0.000 0.212 382 L C 2.909 179.822 176.870 0.073 0.000 1.073 382 L CA 1.707 56.590 54.840 0.070 0.000 0.753 382 L CB -0.561 41.529 42.059 0.052 0.000 0.890 382 L HN 0.103 nan 8.230 nan 0.000 0.432 383 V N -0.466 119.499 119.914 0.085 0.000 2.270 383 V HA -0.269 3.865 4.120 0.023 0.000 0.245 383 V C 2.462 178.609 176.094 0.089 0.000 1.043 383 V CA 2.010 64.353 62.300 0.072 0.000 1.014 383 V CB -0.517 31.340 31.823 0.058 0.000 0.645 383 V HN 0.439 nan 8.190 nan 0.000 0.447 384 L N -0.602 120.707 121.223 0.144 0.000 2.291 384 L HA -0.074 4.280 4.340 0.023 0.000 0.214 384 L C 2.230 179.176 176.870 0.127 0.000 1.120 384 L CA 1.207 56.148 54.840 0.168 0.000 0.799 384 L CB -0.473 41.764 42.059 0.297 0.000 0.925 384 L HN 0.306 nan 8.230 nan 0.000 0.446 385 K N 0.230 120.686 120.400 0.095 0.000 2.426 385 K HA 0.044 4.378 4.320 0.023 0.000 0.193 385 K C -0.030 176.586 176.600 0.027 0.000 1.028 385 K CA 0.349 56.655 56.287 0.031 0.000 1.047 385 K CB 0.173 32.669 32.500 -0.007 0.000 0.821 385 K HN 0.297 nan 8.250 nan 0.000 0.513 386 N N -0.151 118.572 118.700 0.039 0.000 2.628 386 N HA -0.023 4.731 4.740 0.023 0.000 0.299 386 N C 0.506 176.035 175.510 0.031 0.000 1.834 386 N CA -0.091 52.976 53.050 0.029 0.000 0.871 386 N CB 1.404 39.906 38.487 0.025 0.000 1.377 386 N HN -0.104 nan 8.380 nan 0.000 0.493 387 V N -2.652 117.283 119.914 0.035 0.000 2.867 387 V HA 0.052 4.186 4.120 0.023 0.000 0.260 387 V C 1.628 177.737 176.094 0.025 0.000 1.099 387 V CA 1.988 64.307 62.300 0.033 0.000 1.122 387 V CB -0.578 31.267 31.823 0.036 0.000 0.708 387 V HN 0.330 nan 8.190 nan 0.000 0.490 388 G N -0.266 108.547 108.800 0.021 0.000 3.088 388 G HA2 0.172 4.146 3.960 0.023 0.000 0.217 388 G HA3 0.172 4.146 3.960 0.023 0.000 0.217 388 G C 0.621 175.530 174.900 0.015 0.000 1.159 388 G CA 0.639 45.749 45.100 0.017 0.000 0.760 388 G HN 0.575 nan 8.290 nan 0.000 0.550 389 S N 0.471 116.181 115.700 0.017 0.000 2.461 389 S HA 0.310 4.794 4.470 0.023 0.000 0.322 389 S C 1.096 175.705 174.600 0.015 0.000 1.063 389 S CA -0.561 57.648 58.200 0.015 0.000 1.120 389 S CB 0.830 64.039 63.200 0.014 0.000 0.968 389 S HN 0.163 nan 8.310 nan 0.000 0.467 390 E N 3.499 123.708 120.200 0.014 0.000 2.153 390 E HA -0.204 4.160 4.350 0.023 0.000 0.194 390 E C 2.134 178.742 176.600 0.013 0.000 0.988 390 E CA 1.259 57.667 56.400 0.013 0.000 0.811 390 E CB -0.083 29.624 29.700 0.012 0.000 0.746 390 E HN 0.971 nan 8.360 nan 0.000 0.466 391 Q N 0.309 120.116 119.800 0.012 0.000 2.084 391 Q HA -0.054 4.300 4.340 0.023 0.000 0.202 391 Q C 2.152 178.160 176.000 0.014 0.000 0.978 391 Q CA 1.594 57.404 55.803 0.012 0.000 0.844 391 Q CB -0.402 28.341 28.738 0.010 0.000 0.898 391 Q HN 0.133 nan 8.270 nan 0.000 0.426 392 A N 1.967 124.796 122.820 0.015 0.000 1.902 392 A HA -0.099 4.235 4.320 0.023 0.000 0.217 392 A C 2.286 179.883 177.584 0.021 0.000 1.181 392 A CA 1.368 53.417 52.037 0.019 0.000 0.623 392 A CB -0.735 18.278 19.000 0.021 0.000 0.818 392 A HN 0.378 nan 8.150 nan 0.000 0.443 393 L N -0.942 120.293 121.223 0.021 0.000 2.083 393 L HA -0.175 4.179 4.340 0.023 0.000 0.209 393 L C 2.627 179.508 176.870 0.019 0.000 1.083 393 L CA 1.677 56.530 54.840 0.022 0.000 0.752 393 L CB -0.525 41.547 42.059 0.021 0.000 0.899 393 L HN 0.456 nan 8.230 nan 0.000 0.433 394 E N 0.805 121.015 120.200 0.017 0.000 2.106 394 E HA -0.257 4.107 4.350 0.023 0.000 0.192 394 E C 2.008 178.617 176.600 0.015 0.000 0.984 394 E CA 1.379 57.788 56.400 0.015 0.000 0.806 394 E CB -0.009 29.698 29.700 0.013 0.000 0.750 394 E HN 0.420 nan 8.360 nan 0.000 0.458 395 E N -0.357 119.852 120.200 0.015 0.000 2.058 395 E HA -0.234 4.130 4.350 0.023 0.000 0.194 395 E C 1.932 178.542 176.600 0.017 0.000 0.997 395 E CA 1.212 57.621 56.400 0.015 0.000 0.801 395 E CB -0.270 29.439 29.700 0.015 0.000 0.746 395 E HN 0.327 nan 8.360 nan 0.000 0.450 396 A N 1.339 124.172 122.820 0.021 0.000 1.883 396 A HA -0.220 4.114 4.320 0.023 0.000 0.217 396 A C 2.218 179.816 177.584 0.023 0.000 1.186 396 A CA 1.685 53.737 52.037 0.025 0.000 0.624 396 A CB -0.632 18.385 19.000 0.029 0.000 0.822 396 A HN 0.230 nan 8.150 nan 0.000 0.444 397 R N -0.632 119.881 120.500 0.021 0.000 2.096 397 R HA -0.215 4.139 4.340 0.023 0.000 0.240 397 R C 2.484 178.794 176.300 0.018 0.000 1.139 397 R CA 2.123 58.234 56.100 0.020 0.000 0.952 397 R CB -0.290 30.021 30.300 0.017 0.000 0.854 397 R HN 0.728 nan 8.270 nan 0.000 0.436 398 Q N -0.708 119.101 119.800 0.015 0.000 2.119 398 Q HA -0.140 4.214 4.340 0.023 0.000 0.201 398 Q C 2.163 178.170 176.000 0.012 0.000 0.972 398 Q CA 1.378 57.188 55.803 0.013 0.000 0.847 398 Q CB 0.040 28.784 28.738 0.011 0.000 0.903 398 Q HN 0.312 nan 8.270 nan 0.000 0.433 399 R N -0.253 120.255 120.500 0.013 0.000 2.092 399 R HA -0.072 4.282 4.340 0.023 0.000 0.231 399 R C 2.287 178.596 176.300 0.015 0.000 1.119 399 R CA 0.937 57.043 56.100 0.010 0.000 0.970 399 R CB -0.191 30.116 30.300 0.012 0.000 0.864 399 R HN 0.067 nan 8.270 nan 0.000 0.440 400 V N 1.045 120.974 119.914 0.025 0.000 2.295 400 V HA -0.251 3.883 4.120 0.023 0.000 0.246 400 V C 2.425 178.538 176.094 0.032 0.000 1.049 400 V CA 2.034 64.358 62.300 0.039 0.000 1.024 400 V CB -0.690 31.156 31.823 0.038 0.000 0.648 400 V HN 0.411 nan 8.190 nan 0.000 0.447 401 A N -0.022 122.810 122.820 0.020 0.000 1.940 401 A HA -0.155 4.178 4.320 0.023 0.000 0.219 401 A C 2.420 180.010 177.584 0.010 0.000 1.176 401 A CA 2.152 54.197 52.037 0.013 0.000 0.631 401 A CB -0.794 18.214 19.000 0.014 0.000 0.814 401 A HN 0.591 nan 8.150 nan 0.000 0.446 402 A N -0.446 122.378 122.820 0.006 0.000 1.933 402 A HA -0.044 4.290 4.320 0.023 0.000 0.218 402 A C 2.165 179.737 177.584 -0.019 0.000 1.175 402 A CA 1.505 53.538 52.037 -0.005 0.000 0.628 402 A CB -0.531 18.462 19.000 -0.012 0.000 0.814 402 A HN 0.483 nan 8.150 nan 0.000 0.444 403 L N -0.401 120.811 121.223 -0.017 0.000 2.093 403 L HA -0.120 4.233 4.340 0.023 0.000 0.208 403 L C 2.795 179.706 176.870 0.068 0.000 1.085 403 L CA 1.774 56.584 54.840 -0.049 0.000 0.755 403 L CB -0.450 41.596 42.059 -0.022 0.000 0.904 403 L HN 0.649 nan 8.230 nan 0.000 0.435 404 T N -4.175 110.427 114.554 0.080 0.000 3.065 404 T HA 0.047 4.411 4.350 0.023 0.000 0.252 404 T C 0.480 175.137 174.700 -0.071 0.000 1.099 404 T CA 0.144 62.246 62.100 0.004 0.000 1.063 404 T CB -0.041 68.752 68.868 -0.125 0.000 0.948 404 T HN 0.563 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.404 120.400 0.007 0.000 6.856 405 D HA 0.000 4.654 4.640 0.023 0.000 0.175 405 D CA 0.000 54.032 54.000 0.053 0.000 0.868 405 D CB 0.000 40.860 40.800 0.100 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683